data_2n0a_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 2n0a _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 mmt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 52.67 40.52 30.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.611 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.8 p -52.3 147.18 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.515 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -152.55 -9.61 0.18 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.35 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 27.6 ttt -81.59 130.86 35.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.512 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -100.49 136.95 39.57 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.744 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.86 143.17 25.18 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.559 ' C ' ' H ' ' A' ' 10' ' ' LYS . 9.4 mp -92.64 108.05 19.68 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 m 61.82 -5.27 0.16 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.762 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.559 ' H ' ' C ' ' A' ' 8' ' ' LEU . 65.4 tttp -72.73 -42.85 63.68 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.797 0.332 . . . . 0.0 110.703 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.22 145.81 55.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.677 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -151.21 141.17 22.03 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.509 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -65.8 135.54 55.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.451 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.1 163.15 48.93 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.0 m -90.61 -10.83 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 120.748 0.309 . . . . 0.0 110.552 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.2 t -72.24 -65.8 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.698 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.71 93.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.904 0.383 . . . . 0.0 110.493 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.34 -19.48 63.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.826 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.64 -39.15 83.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.363 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -96.98 123.09 40.61 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -145.25 154.67 42.62 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 t -65.71 140.98 58.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.515 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -94.65 73.61 3.69 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.854 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.433 ' CD ' ' N ' ' A' ' 25' ' ' GLY . 1.0 OUTLIER -161.27 140.18 10.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.548 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.433 ' N ' ' CD ' ' A' ' 24' ' ' GLN . . . 77.27 16.16 80.81 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.1 m -56.98 171.28 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.894 0.378 . . . . 0.0 110.444 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.1 140.94 58.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.505 ' C ' ' H ' ' A' ' 30' ' ' ALA . 77.6 mm-40 -83.13 159.34 22.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.721 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 74.07 -29.87 0.2 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.747 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -130.01 131.02 45.7 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.234 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.69 62.77 4.52 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.227 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -64.54 156.87 28.41 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.534 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.43 ' O ' ' OG1' ' B' ' 33' ' ' THR . 0.0 OUTLIER -65.22 101.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.942 -178.45 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -56.49 141.13 43.77 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.409 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -107.57 119.56 39.75 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.85 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.62 -112.94 0.01 OUTLIER Glycine 0 CA--C 1.52 0.349 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.8 m -130.3 148.96 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 mt -117.37 130.97 56.85 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -126.02 116.69 21.83 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 120.796 0.331 . . . . 0.0 110.583 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.1 t -132.91 118.16 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.396 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.42 68.75 1.55 Allowed Glycine 0 CA--C 1.534 1.273 0 C-N-CA 120.414 -0.898 . . . . 0.0 111.341 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.8 m -136.35 136.29 39.54 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -118.86 126.49 51.92 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.7 m -130.74 126.84 37.47 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -139.15 136.0 34.64 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -140.66 115.01 9.32 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.686 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.12 75.24 0.69 Allowed Glycine 0 CA--C 1.525 0.656 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.208 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.0 t -139.6 137.62 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-O 120.831 0.348 . . . . 0.0 110.547 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.3 p -135.75 141.9 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 121.042 0.449 . . . . 0.0 110.88 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -144.61 118.73 9.45 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.925 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.25 134.62 8.94 Favored Glycine 0 N--CA 1.476 1.366 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.7 t -129.07 125.66 63.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.09 127.64 40.24 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.499 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.0 m -127.58 126.45 42.12 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.308 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 80.2 t -128.5 124.26 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.003 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.32 -75.55 0.48 Allowed 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.624 0.25 . . . . 0.0 111.021 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -58.11 -162.83 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' B' ' 58' ' ' LYS . 45.4 pttt -103.74 158.71 16.2 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.502 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 78.7 p -81.75 -36.96 27.97 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' B' ' 61' ' ' GLU . 33.4 tttp 72.67 68.1 0.12 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.628 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -99.29 83.71 2.89 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 120.715 0.293 . . . . 0.0 110.423 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -74.2 -81.73 0.06 Allowed 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.765 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.57 121.33 66.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-O 121.168 0.508 . . . . 0.0 110.912 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.0 m -124.26 126.8 46.68 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.108 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -130.76 115.74 17.05 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 120.919 0.39 . . . . 0.0 110.497 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.52 130.88 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.48 -58.35 3.12 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.07 -107.12 0.08 OUTLIER Glycine 0 CA--C 1.528 0.871 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.94 154.24 47.15 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 120.954 0.407 . . . . 0.0 110.699 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.82 131.54 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.06 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.8 t -127.24 123.75 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.901 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.0 p -125.86 146.39 49.84 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 120.768 0.318 . . . . 0.0 110.777 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.64 -126.98 7.06 Favored Glycine 0 N--CA 1.477 1.43 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.4 p -139.82 130.18 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 121.135 0.493 . . . . 0.0 111.078 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.6 m -130.54 127.97 40.19 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.515 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.78 138.86 37.99 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.178 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.1 m -140.41 143.92 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 120.925 0.393 . . . . 0.0 110.606 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -116.61 117.35 29.6 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.747 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.449 ' O ' ' O ' ' B' ' 78' ' ' ALA . 36.4 mt-30 -139.78 162.21 35.68 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -114.74 -61.88 1.68 Allowed 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -135.48 144.74 46.56 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.782 0.325 . . . . 0.0 110.713 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.85 143.96 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.575 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -146.78 144.14 29.16 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.713 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.12 131.47 1.63 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.85 126.78 30.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.84 0.352 . . . . 0.0 110.383 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.91 5.57 70.39 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.428 ' O ' ' OG ' ' B' ' 87' ' ' SER . 29.9 t -80.86 152.9 27.93 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.992 0.425 . . . . 0.0 110.826 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 5.3 pt -124.96 130.24 73.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.892 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.31 -60.54 2.05 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.853 0.359 . . . . 0.0 110.497 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.88 117.46 16.82 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.028 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.5 121.77 11.57 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.711 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.4 p -93.36 106.32 18.3 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.006 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.3 92.24 0.52 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -118.56 119.96 36.07 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.2 p -142.53 123.73 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 121.289 0.566 . . . . 0.0 110.637 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.46 ' NZ ' HD22 ' A' ' 103' ' ' ASN . 88.7 tttt -123.63 120.29 32.34 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.102 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -104.5 105.52 15.66 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.056 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' A' ' 98' ' ' ASP . 63.1 t0 -150.74 43.36 0.82 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.542 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 51.72 36.09 16.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.467 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.403 ' N ' ' CD1' ' A' ' 100' ' ' LEU . 10.8 mp 46.81 29.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.287 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.66 164.72 54.71 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -107.71 145.57 33.27 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 120.818 0.342 . . . . 0.0 110.655 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.46 HD22 ' NZ ' ' A' ' 96' ' ' LYS . 98.5 m-20 -95.4 7.59 45.74 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.611 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 56.17 97.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -81.51 160.08 24.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.731 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.82 158.53 34.4 Favored Glycine 0 N--CA 1.467 0.739 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -73.97 157.61 86.85 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.25 148.5 74.57 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 122.293 1.995 . . . . 0.0 111.747 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -81.81 159.26 23.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.796 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.86 156.52 17.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.317 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.77 158.91 46.58 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 84.5 mt -77.33 125.86 37.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.845 0.355 . . . . 0.0 110.659 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.474 ' CG ' ' H ' ' A' ' 114' ' ' GLU . 0.2 OUTLIER -95.86 -106.67 0.15 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.195 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.474 ' H ' ' CG ' ' A' ' 113' ' ' LEU . 76.6 mm-40 -105.63 162.57 13.39 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.678 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -58.66 -38.44 78.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.341 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.522 ' N ' ' CD ' ' A' ' 117' ' ' PRO . 0.5 OUTLIER -172.72 -44.1 0.0 OUTLIER Pre-proline 0 CA--C 1.544 0.736 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.401 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 116' ' ' MET . 53.0 Cg_exo -57.88 141.68 96.03 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 122.476 2.118 . . . . 0.0 112.171 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 27.2 m -128.81 152.13 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.237 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -131.57 75.18 77.16 Favored Pre-proline 0 N--CA 1.471 0.591 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.425 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -52.07 137.32 53.8 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 C-N-CA 122.575 2.184 . . . . 0.0 111.977 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 121' ' ' ASP . 66.7 t0 -138.42 -31.75 0.73 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.404 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -75.22 -8.28 56.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.926 0.393 . . . . 0.0 109.986 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -91.16 -3.57 56.91 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.683 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -55.84 139.1 46.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.864 0.364 . . . . 0.0 110.25 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.414 ' CG ' ' N ' ' A' ' 126' ' ' GLU . 25.7 t80 -157.77 177.37 11.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.399 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 125' ' ' TYR . 53.0 tp10 -60.86 -40.97 94.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.417 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 70.1 mtm -129.78 77.5 76.78 Favored Pre-proline 0 N--CA 1.476 0.84 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.82 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -54.35 136.91 70.66 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 122.796 2.331 . . . . 0.0 112.185 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 40.0 t -86.14 132.29 34.06 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.567 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -77.74 144.62 37.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.364 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.438 ' OE1' ' O ' ' A' ' 132' ' ' GLY . 15.6 tm-20 -86.68 132.34 33.9 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.824 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.438 ' O ' ' OE1' ' A' ' 131' ' ' GLU . . . -55.21 136.71 45.83 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -78.95 -3.89 47.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 0.0 110.568 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -61.23 -49.62 76.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.358 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 47.28 28.04 0.96 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.761 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 57.81 27.74 14.95 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.793 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 46.07 76.04 0.59 Allowed Pre-proline 0 C--N 1.333 -0.15 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.534 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -80.26 145.6 17.16 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.34 2.026 . . . . 0.0 112.268 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -63.3 -39.43 94.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.63 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.586 -179.884 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . 0.403 ' H ' ' H2 ' ' B' ' 1' ' ' MET . 37.1 t70 -80.37 113.14 18.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.471 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 62.3 t -75.72 118.11 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.0 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -69.56 -41.29 76.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.61 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 16.9 ptp -161.39 157.59 25.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.233 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -100.56 119.94 39.28 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.525 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.79 154.2 41.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 60.5 tp -106.38 119.59 39.66 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 120.798 0.333 . . . . 0.0 110.348 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 15.0 t 41.25 58.08 2.7 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.065 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.52 -42.97 97.5 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.554 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.75 149.24 49.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.431 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.479 ' N ' ' CD ' ' B' ' 12' ' ' LYS . 3.0 mptp? -63.06 138.9 58.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.107 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -93.52 136.9 33.33 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.454 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.23 -39.7 97.55 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 22.4 m -132.28 170.96 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 32.8 m -123.56 156.33 30.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.358 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.58 141.4 58.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.691 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.88 120.69 25.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.435 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.29 -19.5 65.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.548 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -59.47 -37.95 79.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.485 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -59.04 133.24 55.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.895 0.379 . . . . 0.0 110.442 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.43 -30.43 22.09 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.824 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -68.84 140.6 55.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.486 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 51.94 42.48 30.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.508 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.2 -78.71 0.2 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 33.9 m -139.56 159.79 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-O 120.782 0.325 . . . . 0.0 110.518 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.05 118.34 8.97 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.274 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -90.42 137.87 32.01 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.479 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.98 131.68 43.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.724 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.61 131.13 46.4 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.311 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.8 63.15 4.22 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 120.604 -0.808 . . . . 0.0 111.16 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -64.93 156.91 29.57 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.492 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 33' ' ' THR . 0.0 OUTLIER -65.33 101.23 0.54 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.94 -178.303 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -56.61 141.19 44.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.373 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -107.63 119.52 39.65 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.816 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.86 -112.8 0.01 OUTLIER Glycine 0 CA--C 1.52 0.367 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 13.3 m -130.29 149.09 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 20.5 mt -117.49 130.83 56.7 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -125.92 116.83 22.13 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 120.714 0.293 . . . . 0.0 110.492 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 58.4 t -132.41 118.01 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.569 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.28 69.22 1.41 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 120.095 -1.05 . . . . 0.0 111.259 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 61.5 m -136.82 136.26 38.65 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.66 0.267 . . . . 0.0 110.367 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -118.64 126.6 52.29 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 89.4 m -131.04 126.69 36.55 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.355 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -138.88 135.96 35.04 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.192 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -140.58 115.22 9.5 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.618 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.7 76.34 0.6 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 96.6 t -140.56 137.52 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 120.753 0.311 . . . . 0.0 110.586 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -135.79 142.06 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 121.26 0.552 . . . . 0.0 110.954 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -144.47 118.91 9.65 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.989 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.26 134.71 8.97 Favored Glycine 0 N--CA 1.477 1.379 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 67.8 t -129.14 125.63 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.16 127.59 40.02 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.504 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 91.1 m -127.44 126.41 42.31 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.336 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 82.6 t -128.5 123.96 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.006 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.0 -76.29 0.46 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.622 0.249 . . . . 0.0 110.945 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -57.67 -163.23 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 44.8 pttt -103.36 158.58 16.24 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.468 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 77.9 p -81.48 -37.02 28.62 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' C' ' 61' ' ' GLU . 33.2 tttp 73.29 67.73 0.11 Allowed 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.571 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . 0.462 ' O ' ' O ' ' A' ' 60' ' ' LYS . 94.5 mt-10 -99.63 83.23 2.74 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 122.123 -0.36 . . . . 0.0 110.483 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -73.58 -81.93 0.06 Allowed 'General case' 0 CA--C 1.527 0.076 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.999 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 63.0 t -118.26 121.22 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-O 121.084 0.468 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 92.8 m -124.28 126.74 46.56 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.147 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -130.46 115.61 17.07 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.823 0.344 . . . . 0.0 110.589 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 96.9 t -132.61 130.97 59.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.18 -58.81 3.07 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.76 -107.25 0.08 OUTLIER Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.78 154.25 47.34 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.983 0.42 . . . . 0.0 110.751 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.86 131.3 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-O 121.206 0.527 . . . . 0.0 111.203 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' VAL . . . . . . . . . . . . . 58.8 t -126.93 123.78 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.965 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 75.8 p -125.96 146.33 49.91 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 120.938 0.399 . . . . 0.0 110.796 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.66 -126.84 6.99 Favored Glycine 0 N--CA 1.476 1.33 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.72 130.11 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-O 121.259 0.552 . . . . 0.0 111.21 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 90.5 m -130.36 128.02 40.59 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.644 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.58 138.7 38.18 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-O 120.817 0.342 . . . . 0.0 111.285 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 3.1 m -140.29 143.54 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.609 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.449 ' O ' ' O ' ' A' ' 79' ' ' GLN . . . -116.18 117.7 30.77 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' GLN . . . . . 0.441 ' O ' ' O ' ' C' ' 78' ' ' ALA . 35.9 mt-30 -140.13 161.92 36.49 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -114.53 -61.72 1.7 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -135.41 144.78 46.72 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.077 0.465 . . . . 0.0 110.858 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.77 143.8 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-O 121.013 0.435 . . . . 0.0 110.7 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -146.68 144.16 29.26 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.07 131.34 1.62 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.64 127.06 31.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.337 . . . . 0.0 110.426 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.64 5.69 69.33 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 87' ' ' SER . 29.9 t -80.83 153.08 27.88 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.037 0.446 . . . . 0.0 110.805 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 5.1 pt -125.18 130.34 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.752 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.27 -60.86 1.96 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.854 0.359 . . . . 0.0 110.438 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.64 117.49 17.09 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.057 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.43 121.55 11.46 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.794 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 7.5 p -93.17 106.28 18.26 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.43 92.07 0.53 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -118.45 119.94 36.08 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -142.38 123.64 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 121.262 0.553 . . . . 0.0 110.637 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -123.65 119.96 31.38 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.046 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -106.38 113.32 26.77 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.635 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -97.38 -48.38 5.33 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.447 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 48.98 54.3 11.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.534 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.6 120.87 9.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.864 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.66 -159.17 32.98 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -147.66 163.75 35.65 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.82 0.343 . . . . 0.0 110.758 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -63.5 142.88 58.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 58.17 71.6 0.57 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.539 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -62.86 -41.49 99.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.962 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.9 145.65 49.89 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.654 -0.979 . . . . 0.0 110.654 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.89 154.7 90.97 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 121.049 -0.261 . . . . 0.0 110.341 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -45.48 137.73 11.07 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 121.633 1.556 . . . . 0.0 111.938 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . 0.442 ' C ' ' H ' ' B' ' 111' ' ' GLY . 69.7 tp60 -135.63 128.16 30.62 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 120.968 0.414 . . . . 0.0 109.921 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . 0.492 ' OE1' ' N ' ' B' ' 110' ' ' GLU . 18.2 pm0 -76.92 18.54 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.967 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . 0.442 ' H ' ' C ' ' B' ' 109' ' ' GLN . . . 64.01 55.49 23.92 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 20.4 tt -44.87 -38.49 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.685 0.279 . . . . 0.0 110.813 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 43.3 tp -116.29 113.44 22.98 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -63.88 -40.04 95.6 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.876 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -82.8 167.64 17.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.391 . . . . 0.0 110.69 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 45.1 ttm -162.73 73.23 2.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.314 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -78.5 85.36 1.85 Allowed 'Trans proline' 0 N--CA 1.491 1.331 0 C-N-CA 122.216 1.944 . . . . 0.0 112.112 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 13.9 p -139.61 146.61 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.07 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 36.0 t0 52.23 71.05 1.58 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.787 0.327 . . . . 0.0 110.528 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.43 143.97 64.02 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 122.817 2.345 . . . . 0.0 112.136 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -150.22 154.08 37.35 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.247 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -67.64 129.81 41.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.566 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -89.45 -0.98 57.88 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.156 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.37 146.13 54.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.168 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 20.6 t80 66.96 4.91 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.734 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -131.33 134.92 46.81 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 120.831 0.348 . . . . 0.0 110.466 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' MET . . . . . . . . . . . . . 48.5 ttp -154.24 58.78 2.25 Favored Pre-proline 0 N--CA 1.464 0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.201 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -70.72 -22.59 27.48 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 122.619 2.213 . . . . 0.0 112.099 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 97.2 p -156.8 162.24 39.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.459 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -78.99 121.59 25.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.007 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -132.91 133.46 43.28 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.251 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 159.51 -174.65 36.4 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -86.06 138.03 32.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.715 0.293 . . . . 0.0 110.431 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -66.82 -24.5 66.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.621 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.34 138.87 58.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.554 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -105.34 -12.34 16.09 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.505 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 44.71 70.45 1.95 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.768 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.03 143.54 92.46 Favored 'Trans proline' 0 N--CA 1.501 1.943 0 C-N-CA 122.915 2.41 . . . . 0.0 112.171 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.25 -39.3 94.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.398 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.447 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.7 mmt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' C' ' 3' ' ' VAL . 96.9 m-20 53.93 40.89 32.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.514 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . 0.426 ' O ' ' O ' ' C' ' 2' ' ' ASP . 45.9 t 56.05 162.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.306 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -108.99 148.17 31.16 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.212 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' MET . . . . . 0.565 ' N ' ' SD ' ' C' ' 5' ' ' MET . 4.0 mpp? -65.49 -7.54 14.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.283 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -59.59 -37.74 79.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.248 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.36 -179.38 18.55 Favored Glycine 0 N--CA 1.475 1.298 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 58.5 tp -84.45 123.14 29.92 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.825 0.345 . . . . 0.0 110.507 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -104.36 136.44 43.94 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.103 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -134.84 -8.47 2.39 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.949 0.404 . . . . 0.0 110.454 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.71 -94.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt 55.14 68.73 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.141 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -47.19 135.11 10.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.341 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.17 147.5 47.22 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' VAL . . . . . . . . . . . . . 93.4 t -81.4 127.49 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.704 0.288 . . . . 0.0 110.432 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 12.7 p -111.15 130.88 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.383 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.0 143.36 26.8 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.711 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.57 141.88 53.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.659 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.79 -22.96 66.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.526 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 56.02 -107.22 0.37 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.393 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -134.11 148.31 50.98 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.599 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 85.1 m -88.81 131.25 35.16 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.349 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' C' ' 25' ' ' GLY . 86.6 tttt -66.66 91.09 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.288 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 59.83 -74.53 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.318 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' C' ' 23' ' ' LYS . . . 90.08 -9.73 76.38 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 18.6 t -136.54 108.62 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.85 -10.06 32.45 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.787 0.327 . . . . 0.0 110.656 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 56.05 68.73 0.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.663 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -146.69 165.52 29.35 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.859 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.25 131.06 53.5 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.205 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.04 63.16 4.16 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -64.96 156.87 29.81 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.005 0.431 . . . . 0.0 110.361 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' B' ' 33' ' ' THR . 0.0 OUTLIER -65.47 101.18 0.56 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.991 -178.313 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -56.56 141.33 43.47 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.326 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -107.8 119.35 39.21 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.823 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.78 -112.81 0.01 OUTLIER Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 13.1 m -130.23 148.97 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 mt -117.37 130.66 56.64 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -126.02 116.93 22.21 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 120.734 0.302 . . . . 0.0 110.333 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -132.21 118.4 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.476 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.93 69.67 1.29 Allowed Glycine 0 CA--C 1.531 1.048 0 C-N-CA 120.122 -1.037 . . . . 0.0 111.118 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 61.8 m -137.14 136.19 38.04 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 120.707 0.289 . . . . 0.0 110.44 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -118.36 126.57 52.37 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 88.9 m -131.29 126.8 36.31 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.383 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -138.88 135.83 34.89 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.128 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -140.53 115.5 9.73 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.585 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.4 76.7 0.56 Allowed Glycine 0 CA--C 1.522 0.529 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.007 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 96.8 t -140.97 137.57 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 120.724 0.297 . . . . 0.0 110.499 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -135.97 142.29 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 121.22 0.533 . . . . 0.0 110.889 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -144.45 119.14 9.8 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.995 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.43 134.82 8.98 Favored Glycine 0 N--CA 1.476 1.361 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 69.4 t -129.36 125.51 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.05 127.49 40.0 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.599 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 90.6 m -127.26 126.46 42.72 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.295 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 80.9 t -128.45 124.04 61.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.015 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.05 -76.81 0.45 Allowed 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.599 0.238 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -57.46 -163.45 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.808 0.337 . . . . 0.0 110.172 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' LYS . . . . . 0.443 ' CB ' ' O ' ' B' ' 58' ' ' LYS . 44.4 pttt -103.25 158.52 16.26 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.508 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' THR . . . . . . . . . . . . . 77.0 p -81.18 -37.12 29.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.917 0.389 . . . . 0.0 110.139 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' D' ' 61' ' ' GLU . 33.1 tttp 73.53 67.64 0.1 Allowed 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.557 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' B' ' 60' ' ' LYS . 94.7 mt-10 -99.71 82.92 2.68 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 122.124 -0.36 . . . . 0.0 110.59 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -73.31 -82.15 0.05 Allowed 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.034 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' VAL . . . . . . . . . . . . . 64.0 t -117.93 121.13 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-O 121.024 0.44 . . . . 0.0 110.878 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 92.6 m -124.17 126.83 46.83 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.077 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -130.52 115.63 17.06 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 120.807 0.337 . . . . 0.0 110.465 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 95.8 t -132.68 130.88 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.99 -58.96 3.07 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.72 -107.35 0.07 OUTLIER Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.67 154.38 47.5 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.976 0.417 . . . . 0.0 110.689 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 p -140.0 131.38 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.206 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 57.4 t -127.02 123.78 63.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.041 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 74.3 p -126.02 146.37 49.92 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 120.867 0.365 . . . . 0.0 110.819 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.67 -126.76 6.96 Favored Glycine 0 N--CA 1.476 1.33 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.87 130.08 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-O 121.294 0.568 . . . . 0.0 111.189 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 75' ' ' THR . . . . . . . . . . . . . 89.9 m -130.35 128.2 40.95 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.596 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.64 138.61 37.98 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 120.815 0.34 . . . . 0.0 111.265 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 77' ' ' VAL . . . . . . . . . . . . . 3.1 m -140.14 143.28 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 O-C-N 122.035 -0.415 . . . . 0.0 110.676 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 78' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' B' ' 79' ' ' GLN . . . -115.82 117.67 30.86 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 79' ' ' GLN . . . . . 0.437 ' O ' ' O ' ' D' ' 78' ' ' ALA . 35.8 mt-30 -140.29 161.72 37.0 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -114.36 -61.69 1.71 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -135.48 144.75 46.57 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.01 0.433 . . . . 0.0 110.931 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.68 143.75 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-O 121.023 0.439 . . . . 0.0 110.719 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -146.74 144.09 29.16 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.09 131.43 1.63 Allowed Glycine 0 N--CA 1.467 0.708 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.75 127.39 32.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.874 0.368 . . . . 0.0 110.347 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.38 5.75 68.14 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 87' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' B' ' 87' ' ' SER . 30.3 t -80.82 153.04 27.92 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.997 0.427 . . . . 0.0 110.788 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 88' ' ' ILE . . . . . . . . . . . . . 5.0 pt -125.16 130.45 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.713 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.29 -61.14 1.88 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.817 0.342 . . . . 0.0 110.336 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.39 117.46 17.28 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.082 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.36 121.55 11.51 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.922 0.391 . . . . 0.0 110.774 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 7.6 p -93.1 106.23 18.22 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.44 92.16 0.53 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -118.57 120.02 36.23 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -142.27 123.66 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-O 121.257 0.551 . . . . 0.0 110.592 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 96' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -123.94 120.82 33.63 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.211 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -101.38 120.77 40.77 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.813 0.34 . . . . 0.0 110.422 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 98' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 52.89 175.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.718 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -149.66 138.48 21.01 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.319 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 100' ' ' LEU . . . . . 0.479 ' N ' ' CG ' ' D' ' 98' ' ' ASP . 60.0 tp -61.38 -44.98 96.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.357 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.44 145.75 49.63 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 35.9 pttt -155.73 -110.54 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 103' ' ' ASN . . . . . . . . . . . . . 64.2 t30 56.37 62.61 2.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 110.598 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -44.81 143.47 1.42 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.339 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' C' ' 105' ' ' GLU . 55.0 mp0 -78.77 6.18 9.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.074 -178.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . 89.07 168.73 44.04 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.82 154.7 91.08 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.4 149.51 69.29 Favored 'Trans proline' 0 N--CA 1.499 1.805 0 C-N-CA 122.232 1.954 . . . . 0.0 111.57 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -91.07 98.39 11.74 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 120.923 0.392 . . . . 0.0 110.559 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 110' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -136.64 -27.4 1.04 Allowed 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.482 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 111' ' ' GLY . . . . . . . . . . . . . . . 95.11 137.21 8.89 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 112' ' ' ILE . . . . . . . . . . . . . 35.0 pt -71.38 -6.62 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.006 0.432 . . . . 0.0 110.67 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.21 -21.19 66.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.017 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 114' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -59.1 -22.27 60.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.793 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 55.8 p-10 -75.53 160.93 29.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.639 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' MET . . . . . . . . . . . . . 65.1 mtt -134.63 65.62 67.44 Favored Pre-proline 0 N--CA 1.47 0.563 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.418 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.04 -10.45 24.56 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.489 2.126 . . . . 0.0 112.056 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 28.7 m -131.17 150.6 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.576 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 24.1 t70 42.53 71.44 1.4 Allowed Pre-proline 0 N--CA 1.464 0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -51.68 -39.56 66.29 Favored 'Trans proline' 0 N--CA 1.498 1.748 0 C-N-CA 122.622 2.214 . . . . 0.0 111.82 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.5 141.56 56.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.336 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . 0.532 ' C ' ' H ' ' C' ' 124' ' ' ALA . 52.7 p-10 -155.53 161.61 40.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.345 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 48.88 11.0 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.391 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 124' ' ' ALA . . . . . 0.532 ' H ' ' C ' ' C' ' 122' ' ' ASN . . . -62.76 -43.06 99.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.822 0.344 . . . . 0.0 110.74 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 125' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -82.0 -25.74 34.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.645 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -76.42 125.23 28.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.748 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 127' ' ' MET . . . . . 0.468 ' N ' ' CD ' ' C' ' 128' ' ' PRO . 11.6 ptp -173.49 51.78 0.12 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.477 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 128' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' C' ' 127' ' ' MET . 58.3 Cg_endo -68.49 -36.08 16.13 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 122.558 2.172 . . . . 0.0 112.193 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 86.1 p -164.45 170.56 15.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.519 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 130' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -135.08 32.26 3.19 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.637 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 45.4 mp0 49.51 63.19 2.26 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.036 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 132' ' ' GLY . . . . . . . . . . . . . . . 91.71 155.89 32.21 Favored Glycine 0 N--CA 1.465 0.616 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 133' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -98.06 138.99 34.54 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.881 0.372 . . . . 0.0 110.6 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 134' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -151.63 143.43 23.73 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.482 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 135' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -82.53 155.65 24.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.691 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 136' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -151.67 148.88 28.47 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.53 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 137' ' ' GLU . . . . . . . . . . . . . 41.1 tp10 -165.71 77.31 1.25 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 138' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -54.61 145.99 56.21 Favored 'Trans proline' 0 N--CA 1.499 1.828 0 C-N-CA 122.674 2.249 . . . . 0.0 111.967 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 139' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -58.23 141.88 49.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.167 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.563 -179.735 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 28.8 tpp . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -79.7 -10.92 59.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.07 -3.94 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-O 120.779 0.324 . . . . 0.0 110.402 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 32.5 t80 64.38 84.06 0.16 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.633 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' MET . . . . . . . . . . . . . 30.7 tpp 65.29 153.87 0.07 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.457 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 64.9 mttp 52.83 46.28 27.06 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.608 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.88 -138.76 2.77 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . 0.476 ' N ' ' CD2' ' D' ' 8' ' ' LEU . 3.8 mm? 56.72 -109.73 0.51 Allowed 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 73.7 m -87.07 -9.48 55.34 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.727 0.298 . . . . 0.0 110.809 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -84.23 124.02 30.75 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -133.6 -77.01 0.48 Allowed 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.005 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -170.06 142.74 2.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.515 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -142.36 135.93 29.11 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.336 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' D' ' 15' ' ' VAL . . . 57.04 -137.04 49.82 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' D' ' 14' ' ' GLY . 36.3 t 40.99 96.81 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 120.718 0.294 . . . . 0.0 111.196 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 32.0 m -129.46 146.21 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.504 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.92 98.09 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' ALA . . . . . . . . . . . . . . . -176.55 -17.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.521 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.71 141.21 58.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.586 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 60.42 39.21 18.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.354 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -62.46 -26.21 68.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.701 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 95.2 m -88.29 124.75 34.19 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.335 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' D' ' 25' ' ' GLY . 2.3 mptp? -81.8 126.34 31.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.244 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 42.59 -92.85 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.736 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' D' ' 23' ' ' LYS . . . 175.22 -69.44 0.09 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 14.4 p -150.28 146.0 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 120.751 0.31 . . . . 0.0 110.438 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -126.57 132.78 51.23 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.388 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -79.87 -67.62 0.75 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.587 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . 41.36 65.56 0.81 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.11 131.54 49.02 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.781 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.06 63.22 4.12 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -64.9 156.79 29.86 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.415 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' THR . . . . . 0.431 ' O ' ' OG1' ' E' ' 33' ' ' THR . 0.0 OUTLIER -65.41 101.16 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.974 -178.3 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -56.61 141.38 43.53 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.373 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -107.93 119.29 39.05 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.844 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.72 -112.97 0.01 OUTLIER Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' VAL . . . . . . . . . . . . . 13.3 m -130.09 148.97 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 20.1 mt -117.27 130.5 56.6 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -125.97 116.94 22.25 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 120.68 0.276 . . . . 0.0 110.406 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 58.8 t -132.04 118.73 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.452 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.49 70.01 1.2 Allowed Glycine 0 CA--C 1.532 1.115 0 C-N-CA 120.147 -1.025 . . . . 0.0 111.084 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 63.3 m -137.29 136.17 37.79 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.697 0.284 . . . . 0.0 110.465 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 43' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -118.17 126.69 52.72 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 89.6 m -131.59 126.72 35.5 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.21 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -138.8 135.67 34.86 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.133 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -140.41 115.75 9.97 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.516 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.33 76.87 0.55 Allowed Glycine 0 CA--C 1.523 0.533 0 C-N-CA 120.433 -0.889 . . . . 0.0 111.003 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 48' ' ' VAL . . . . . . . . . . . . . 96.5 t -141.23 137.53 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 120.651 0.262 . . . . 0.0 110.529 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.03 142.56 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-O 121.289 0.566 . . . . 0.0 110.843 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 50' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -144.49 119.3 9.88 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.973 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.6 134.99 9.0 Favored Glycine 0 N--CA 1.476 1.337 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 52' ' ' VAL . . . . . . . . . . . . . 69.2 t -129.53 125.53 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.03 127.42 39.91 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.641 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 54' ' ' THR . . . . . . . . . . . . . 91.0 m -127.27 126.48 42.74 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.231 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 83.3 t -128.38 123.97 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.063 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.89 -77.24 0.43 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.82 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -57.35 -163.78 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.237 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 58' ' ' LYS . . . . . 0.451 ' O ' ' CB ' ' E' ' 58' ' ' LYS . 44.4 pttt -102.84 158.44 16.26 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.527 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 59' ' ' THR . . . . . . . . . . . . . 75.5 p -81.15 -37.02 29.5 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.892 0.377 . . . . 0.0 110.176 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 60' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' E' ' 61' ' ' GLU . 33.0 tttp 73.6 67.44 0.1 Allowed 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.499 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . 0.456 ' O ' ' O ' ' C' ' 60' ' ' LYS . 94.9 mt-10 -99.69 82.85 2.67 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 120.8 0.334 . . . . 0.0 110.652 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -73.2 -82.32 0.05 Allowed 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.996 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 63' ' ' VAL . . . . . . . . . . . . . 65.2 t -117.65 121.08 66.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-O 120.975 0.417 . . . . 0.0 110.847 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 91.8 m -124.06 126.79 46.85 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.172 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 65' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -130.36 115.54 17.04 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.873 0.368 . . . . 0.0 110.524 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 94.6 t -132.72 130.88 59.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.8 -59.14 3.07 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.79 -107.28 0.08 OUTLIER Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.59 154.43 47.6 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.974 0.416 . . . . 0.0 110.704 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.15 131.47 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-O 121.212 0.53 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 71' ' ' VAL . . . . . . . . . . . . . 58.0 t -127.02 123.75 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.134 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 74.4 p -126.07 146.27 49.98 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 120.936 0.398 . . . . 0.0 110.815 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.75 -126.67 6.92 Favored Glycine 0 N--CA 1.476 1.317 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.81 130.06 30.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 121.257 0.551 . . . . 0.0 111.28 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 75' ' ' THR . . . . . . . . . . . . . 88.8 m -130.29 128.28 41.22 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.69 138.6 37.9 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 120.763 0.316 . . . . 0.0 111.307 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 77' ' ' VAL . . . . . . . . . . . . . 3.1 m -140.05 143.1 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 122.011 -0.431 . . . . 0.0 110.736 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 78' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' C' ' 79' ' ' GLN . . . -115.65 117.66 30.91 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.592 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 79' ' ' GLN . . . . . 0.437 ' O ' ' O ' ' E' ' 78' ' ' ALA . 35.7 mt-30 -140.36 161.53 37.48 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -114.24 -61.54 1.73 Allowed 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -135.56 144.92 46.49 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.943 0.401 . . . . 0.0 110.95 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.77 143.66 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 121.008 0.433 . . . . 0.0 110.747 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -146.67 144.2 29.31 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.956 0.407 . . . . 0.0 110.918 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.92 131.5 1.65 Allowed Glycine 0 N--CA 1.466 0.633 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.7 127.47 32.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.825 0.345 . . . . 0.0 110.377 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.2 5.83 67.4 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 87' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' C' ' 87' ' ' SER . 30.6 t -80.83 153.01 27.92 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.013 0.435 . . . . 0.0 110.781 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 88' ' ' ILE . . . . . . . . . . . . . 4.9 pt -125.12 130.65 73.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.695 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.48 -61.06 1.89 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.737 0.303 . . . . 0.0 110.308 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.38 117.41 17.24 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.093 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.31 121.62 11.6 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.9 0.381 . . . . 0.0 110.784 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 92' ' ' THR . . . . . . . . . . . . . 8.0 p -93.11 106.27 18.25 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.4 92.29 0.52 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 94' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -118.6 120.01 36.2 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -142.12 123.58 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 121.272 0.558 . . . . 0.0 110.604 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 96' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -123.57 120.79 33.86 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.338 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 97' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -105.67 92.04 4.01 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.111 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 98' ' ' ASP . . . . . 0.479 ' CG ' ' N ' ' C' ' 100' ' ' LEU . 8.9 t0 -80.79 -38.46 28.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.363 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 99' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 58.89 -165.24 0.19 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.4 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 100' ' ' LEU . . . . . 0.538 ' N ' ' CD2' ' D' ' 100' ' ' LEU . 0.7 OUTLIER -158.72 -178.19 7.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.857 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.76 111.72 1.59 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 102' ' ' LYS . . . . . 0.513 ' NZ ' ' O ' ' E' ' 101' ' ' GLY . 68.7 mttm -120.04 105.37 10.97 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 120.81 0.338 . . . . 0.0 110.306 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 103' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -94.15 -11.94 29.39 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.641 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 104' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.5 -43.76 96.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.232 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 105' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.25 -41.3 99.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.385 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 106' ' ' GLY . . . . . . . . . . . . . . . 64.01 -144.19 48.47 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.31 154.45 93.67 Favored Pre-proline 0 CA--C 1.54 0.587 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.8 156.39 60.7 Favored 'Trans proline' 0 N--CA 1.501 1.943 0 C-N-CA 122.433 2.089 . . . . 0.0 111.854 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 109' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -148.42 -67.1 0.24 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.858 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 110' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -95.82 47.62 1.11 Allowed 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.208 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.32 -41.17 91.7 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 121.298 -0.477 . . . . 0.0 111.971 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 112' ' ' ILE . . . . . . . . . . . . . 77.9 mt 43.21 78.88 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 120.955 0.407 . . . . 0.0 110.642 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.402 ' N ' ' CD1' ' D' ' 113' ' ' LEU . 10.4 mp -81.33 147.74 29.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.087 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 114' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -65.84 116.01 6.56 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.205 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 115' ' ' ASP . . . . . . . . . . . . . 55.2 p30 -83.15 -179.24 7.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.484 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 116' ' ' MET . . . . . . . . . . . . . 77.8 mtm -70.4 151.7 95.64 Favored Pre-proline 0 CA--C 1.538 0.488 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.556 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 117' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -43.45 110.92 0.2 Allowed 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 121.966 1.778 . . . . 0.0 112.721 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 118' ' ' VAL . . . . . . . . . . . . . 55.1 t -136.82 122.95 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.109 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 42.73 66.69 4.11 Favored Pre-proline 0 N--CA 1.463 0.184 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.934 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 120' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -52.79 130.37 36.98 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 122.439 2.093 . . . . 0.0 112.269 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 121' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -95.63 -9.21 32.72 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.34 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 122' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -92.93 74.39 4.81 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.479 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 123' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.09 -43.85 97.94 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.459 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 124' ' ' ALA . . . . . . . . . . . . . . . -93.85 149.97 20.78 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.687 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 125' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -59.61 -48.57 81.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.476 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 126' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -72.34 142.47 48.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.164 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 127' ' ' MET . . . . . . . . . . . . . 77.7 mtm -70.73 150.07 95.28 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.458 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 128' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -70.7 151.31 63.59 Favored 'Trans proline' 0 N--CA 1.499 1.825 0 C-N-CA 122.36 2.04 . . . . 0.0 111.835 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 129' ' ' SER . . . . . . . . . . . . . 40.3 t -65.4 136.64 56.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.588 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 130' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.24 -39.64 94.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.625 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 131' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.37 135.59 57.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.492 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . -148.56 -74.67 0.02 OUTLIER Glycine 0 N--CA 1.465 0.596 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 133' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -147.98 108.59 4.16 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.828 0.347 . . . . 0.0 110.489 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 134' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -163.58 144.94 9.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.513 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 135' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -170.84 23.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.961 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 136' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -132.96 14.08 4.29 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.37 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 137' ' ' GLU . . . . . 0.587 ' N ' ' CD ' ' D' ' 138' ' ' PRO . 5.6 mt-10 -77.91 -38.75 1.74 Allowed Pre-proline 0 CA--C 1.542 0.648 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.443 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 138' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' D' ' 137' ' ' GLU . 92.5 Cg_endo -87.93 -68.27 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.305 0 C-N-CA 122.439 2.093 . . . . 0.0 112.505 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 139' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 49.01 30.22 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 0.0 110.342 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.634 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 73.3 mmm . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 2' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -81.91 108.15 15.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.366 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 72.8 t -61.27 -45.61 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.406 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -105.27 112.96 26.27 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.896 0.379 . . . . 0.0 110.594 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 5' ' ' MET . . . . . . . . . . . . . 63.0 mtt -66.3 -34.65 78.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.415 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.5 -26.71 67.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.476 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.32 15.63 76.06 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 22.8 mt 56.36 41.97 28.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.928 0.394 . . . . 0.0 110.166 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 72.5 p -87.09 31.01 0.73 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.408 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 10' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -63.37 -14.29 48.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.307 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.26 84.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.103 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -89.06 149.87 23.02 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.235 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 13' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -148.19 10.71 0.89 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.668 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.94 143.31 10.28 Favored Glycine 0 N--CA 1.466 0.672 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 15' ' ' VAL . . . . . . . . . . . . . 73.5 t -129.5 124.74 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-O 120.717 0.294 . . . . 0.0 110.244 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 16.3 m -105.14 -20.55 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.25 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 17' ' ' ALA . . . . . . . . . . . . . . . -161.18 153.35 19.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.473 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.75 -140.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.402 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.86 136.86 57.06 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -84.65 119.36 25.14 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.47 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' LYS . . . . . 0.411 ' C ' ' N ' ' E' ' 23' ' ' LYS . 65.1 tttp -159.51 109.4 1.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.221 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 22' ' ' THR . . . . . . . . . . . . . 43.1 p 45.26 20.77 0.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.846 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 23' ' ' LYS . . . . . 0.411 ' N ' ' C ' ' E' ' 21' ' ' LYS . 37.7 ttmt -86.21 100.04 11.96 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.793 0.33 . . . . 0.0 110.62 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -65.66 -41.69 92.23 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.555 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.74 65.38 3.48 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 26' ' ' VAL . . . . . . . . . . . . . 62.5 t -74.13 -90.1 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.134 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 27' ' ' ALA . . . . . . . . . . . . . . . 40.76 52.27 3.15 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.131 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 28' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -142.94 127.71 18.19 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.756 0.313 . . . . 0.0 110.57 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 29' ' ' ALA . . . . . . . . . . . . . . . 42.05 79.21 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.123 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.32 131.71 46.98 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.575 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.14 63.09 4.19 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 32' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -64.78 156.79 29.47 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.418 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 33' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' F' ' 33' ' ' THR . 0.0 OUTLIER -65.49 101.13 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.035 -178.262 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 34' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -56.59 141.6 42.62 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.312 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 35' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -108.11 119.29 39.06 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.782 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.8 -113.04 0.01 OUTLIER Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.346 -1.101 . . . . 0.0 110.346 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 37' ' ' VAL . . . . . . . . . . . . . 13.1 m -130.06 148.88 33.16 Favored 'Isoleucine or valine' 0 C--O 1.241 0.638 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 38' ' ' LEU . . . . . . . . . . . . . 20.1 mt -117.12 130.39 56.6 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 39' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -125.93 117.0 22.37 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 120.697 0.284 . . . . 0.0 110.327 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 60.5 t -131.91 118.83 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.487 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.19 70.13 1.17 Allowed Glycine 0 CA--C 1.528 0.896 0 C-N-CA 120.142 -1.027 . . . . 0.0 111.164 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 64.3 m -137.27 136.1 37.74 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-O 120.701 0.286 . . . . 0.0 110.474 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 43' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -117.99 126.66 52.74 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 44' ' ' THR . . . . . . . . . . . . . 88.7 m -131.71 126.56 34.84 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 120.794 0.33 . . . . 0.0 110.335 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 45' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -138.72 135.59 34.92 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.176 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -140.28 115.87 10.12 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.471 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.3 77.19 0.53 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 48' ' ' VAL . . . . . . . . . . . . . 96.9 t -141.61 137.6 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 120.785 0.326 . . . . 0.0 110.486 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.1 142.67 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 121.237 0.542 . . . . 0.0 110.858 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 50' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -144.46 119.42 9.99 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.049 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.64 135.14 9.06 Favored Glycine 0 N--CA 1.476 1.313 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 52' ' ' VAL . . . . . . . . . . . . . 73.0 t -129.64 125.54 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.04 127.46 39.98 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.67 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 54' ' ' THR . . . . . . . . . . . . . 91.6 m -127.26 126.43 42.67 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.234 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 55' ' ' VAL . . . . . . . . . . . . . 83.8 t -128.34 123.84 60.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.049 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.68 -77.6 0.42 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.779 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -57.19 -163.89 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 120.764 0.316 . . . . 0.0 110.283 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 58' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' F' ' 58' ' ' LYS . 44.6 pttt -102.72 158.44 16.25 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.583 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 59' ' ' THR . . . . . . . . . . . . . 77.1 p -81.16 -36.88 29.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.892 0.377 . . . . 0.0 110.262 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 60' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' F' ' 61' ' ' GLU . 32.8 tttp 73.63 67.25 0.1 Allowed 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.558 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 61' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' D' ' 60' ' ' LYS . 95.1 mt-10 -99.71 82.51 2.62 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 120.814 0.34 . . . . 0.0 110.663 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -72.82 -82.57 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.03 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 63' ' ' VAL . . . . . . . . . . . . . 66.5 t -117.45 121.07 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-O 120.937 0.398 . . . . 0.0 110.842 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 90.7 m -123.91 126.73 46.88 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.223 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 65' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -130.32 115.46 16.95 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.838 0.351 . . . . 0.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 66' ' ' VAL . . . . . . . . . . . . . 93.3 t -132.78 130.8 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.54 -59.16 3.12 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.91 -107.36 0.08 OUTLIER Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.45 154.44 47.75 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.858 0.361 . . . . 0.0 110.633 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.24 131.54 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 CA-C-O 121.213 0.53 . . . . 0.0 111.072 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 71' ' ' VAL . . . . . . . . . . . . . 58.2 t -127.09 123.84 63.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.017 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 72' ' ' THR . . . . . . . . . . . . . 70.3 p -126.0 146.28 49.95 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 120.913 0.387 . . . . 0.0 110.856 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.64 -126.67 6.93 Favored Glycine 0 N--CA 1.475 1.246 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.84 130.11 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 121.252 0.549 . . . . 0.0 111.295 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 75' ' ' THR . . . . . . . . . . . . . 88.7 m -130.29 128.37 41.41 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.611 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.72 138.79 38.02 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-O 120.804 0.335 . . . . 0.0 111.175 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 77' ' ' VAL . . . . . . . . . . . . . 3.1 m -140.17 142.93 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 O-C-N 121.955 -0.466 . . . . 0.0 110.731 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 78' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' D' ' 79' ' ' GLN . . . -115.45 117.62 30.88 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 79' ' ' GLN . . . . . 0.439 ' O ' ' O ' ' F' ' 78' ' ' ALA . 35.5 mt-30 -140.41 161.35 37.92 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 80' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -114.07 -61.28 1.77 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -135.86 144.93 45.88 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.995 0.426 . . . . 0.0 110.889 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.67 143.67 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-O 121.032 0.444 . . . . 0.0 110.719 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -146.65 144.11 29.26 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.007 0.432 . . . . 0.0 110.932 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.93 131.37 1.63 Allowed Glycine 0 N--CA 1.465 0.624 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.58 127.57 32.94 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.418 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.2 5.88 67.55 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 87' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' D' ' 87' ' ' SER . 30.4 t -80.94 153.02 27.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.001 0.429 . . . . 0.0 110.774 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 88' ' ' ILE . . . . . . . . . . . . . 4.8 pt -125.12 130.44 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.756 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.33 -60.95 1.93 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.746 0.308 . . . . 0.0 110.332 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.44 117.5 17.28 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.114 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.4 121.65 11.56 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.963 0.411 . . . . 0.0 110.827 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 92' ' ' THR . . . . . . . . . . . . . 8.5 p -92.99 106.17 18.16 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.37 92.45 0.52 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -118.7 119.91 35.86 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -141.98 123.46 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-O 121.271 0.557 . . . . 0.0 110.617 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 96' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -123.89 121.38 35.18 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.052 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 97' ' ' LYS . . . . . 0.498 ' NZ ' ' CG ' ' E' ' 99' ' ' GLN . 58.1 tttm -122.6 127.53 49.53 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.315 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -128.22 101.1 6.1 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 120.742 0.306 . . . . 0.0 111.502 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 99' ' ' GLN . . . . . 0.498 ' CG ' ' NZ ' ' E' ' 97' ' ' LYS . 68.7 mt-30 -73.52 -40.48 63.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.033 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 100' ' ' LEU . . . . . . . . . . . . . 44.0 tp -133.19 126.16 31.0 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.903 0.382 . . . . 0.0 110.199 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 101' ' ' GLY . . . . . 0.513 ' O ' ' NZ ' ' D' ' 102' ' ' LYS . . . -170.67 169.37 42.32 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 102' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -156.71 150.26 24.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.831 0.348 . . . . 0.0 110.716 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 103' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -105.34 139.7 39.58 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.601 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 104' ' ' GLU . . . . . 0.445 ' C ' ' H ' ' E' ' 106' ' ' GLY . 99.0 mt-10 -78.71 50.82 1.02 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.442 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 105' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 53.43 10.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 106' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' E' ' 104' ' ' GLU . . . 64.41 30.93 79.21 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.576 -1.009 . . . . 0.0 110.576 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.37 153.15 83.29 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 108' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.98 152.52 73.31 Favored 'Trans proline' 0 N--CA 1.499 1.821 0 C-N-CA 122.333 2.022 . . . . 0.0 111.921 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 109' ' ' GLN . . . . . 0.419 ' CD ' ' H ' ' E' ' 109' ' ' GLN . 24.4 mp0 -71.09 147.85 48.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.443 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 110' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -62.07 -42.69 99.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.537 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 111' ' ' GLY . . . . . . . . . . . . . . . 45.73 55.39 7.19 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 112' ' ' ILE . . . . . 0.403 HD12 HG21 ' E' ' 112' ' ' ILE . 97.0 mt -59.95 -47.49 91.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.309 . . . . 0.0 110.406 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 113' ' ' LEU . . . . . . . . . . . . . 32.6 mt 44.48 53.77 6.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.831 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 114' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -57.47 135.72 56.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.684 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 115' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -121.26 9.8 10.49 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 116' ' ' MET . . . . . . . . . . . . . 47.0 ttm -137.21 71.23 54.59 Favored Pre-proline 0 N--CA 1.474 0.759 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.545 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 117' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -75.35 149.91 35.96 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.991 1.794 . . . . 0.0 112.027 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 118' ' ' VAL . . . . . . . . . . . . . 91.7 t -115.33 118.04 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.386 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 119' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' E' ' 119' ' ' ASP . 18.5 p-10 -154.97 69.5 5.65 Favored Pre-proline 0 N--CA 1.465 0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.745 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 120' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -78.64 -160.34 0.12 Allowed 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.532 2.155 . . . . 0.0 111.933 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 121' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -57.63 -37.87 74.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.603 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 122' ' ' ASN . . . . . . . . . . . . . 65.3 t30 58.64 45.81 15.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.75 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 123' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -67.01 139.82 57.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.061 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.01 116.14 3.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.917 0.389 . . . . 0.0 110.689 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 125' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -61.4 -46.67 89.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.69 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 126' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -54.08 142.8 24.1 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.773 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 127' ' ' MET . . . . . . . . . . . . . 59.7 ttp -146.42 73.55 12.9 Favored Pre-proline 0 N--CA 1.464 0.27 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.497 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 128' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -54.86 138.71 77.81 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 122.586 2.191 . . . . 0.0 111.857 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 129' ' ' SER . . . . . . . . . . . . . 67.4 m -69.59 142.14 53.6 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.354 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 130' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -134.31 139.88 46.0 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.527 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 131' ' ' GLU . . . . . 0.482 ' OE1' ' N ' ' E' ' 131' ' ' GLU . 16.3 pm0 -74.66 147.81 41.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.599 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 132' ' ' GLY . . . . . . . . . . . . . . . 157.19 -126.22 1.71 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 133' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -63.48 -36.72 84.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.582 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 134' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -70.07 152.39 44.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.662 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 135' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 57.86 -148.52 0.48 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.657 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 136' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -96.41 147.33 23.93 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.163 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 137' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -139.47 60.27 16.23 Favored Pre-proline 0 N--CA 1.473 0.708 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.695 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 138' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.3 -32.97 9.68 Favored 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 122.547 2.165 . . . . 0.0 112.214 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 139' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.72 -42.95 94.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.492 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.566 179.804 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 60.6 mtt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 2' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' F' ' 4' ' ' PHE . 98.4 m-20 -61.48 -39.37 90.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.326 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 92.4 t 46.69 -88.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.666 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' F' ' 2' ' ' ASP . 80.4 t80 -114.75 120.04 38.72 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 120.802 0.334 . . . . 0.0 110.458 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 5' ' ' MET . . . . . 0.4 ' O ' ' CE2' ' F' ' 4' ' ' PHE . 87.6 mmm -76.91 156.83 31.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.335 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 6' ' ' LYS . . . . . 0.465 ' CB ' ' NZ ' ' F' ' 6' ' ' LYS . 1.5 ttmp? 71.05 -133.55 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.81 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.96 26.39 71.22 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 8' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.0 125.38 23.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.863 0.363 . . . . 0.0 110.282 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -164.49 36.47 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.48 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 10' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.54 -13.42 58.9 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.413 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.04 76.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -62.97 130.0 42.81 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.193 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 13' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -88.85 137.19 32.54 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.372 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.48 -0.21 11.22 Favored Glycine 0 N--CA 1.475 1.258 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 15' ' ' VAL . . . . . . . . . . . . . 23.9 m -133.62 149.34 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-O 120.861 0.363 . . . . 0.0 110.931 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 11.4 p -78.94 -36.35 18.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.645 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 17' ' ' ALA . . . . . . . . . . . . . . . 54.82 -102.65 0.15 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.411 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.33 27.45 0.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.333 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.0 65.27 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.635 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 20' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -149.87 125.86 10.56 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.253 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 21' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -85.82 150.06 24.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.333 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 22' ' ' THR . . . . . . . . . . . . . 69.5 p -106.61 149.19 27.45 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 120.789 0.328 . . . . 0.0 110.144 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 23' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -81.78 146.21 30.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.466 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 24' ' ' GLN . . . . . 0.443 ' N ' ' CD ' ' F' ' 24' ' ' GLN . 4.3 mp0 -73.03 130.76 41.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.895 0.378 . . . . 0.0 110.338 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.44 -169.92 43.31 Favored Glycine 0 N--CA 1.464 0.563 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 26' ' ' VAL . . . . . . . . . . . . . 27.1 m -81.29 -0.07 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.724 0.297 . . . . 0.0 110.43 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.62 -123.19 0.66 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.949 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 28' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -81.55 127.9 33.34 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.715 0.293 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.85 127.98 6.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.966 0.412 . . . . 0.0 110.748 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.43 131.72 40.28 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.44 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.49 62.89 4.26 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 32' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -64.45 156.67 28.75 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.515 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 33' ' ' THR . . . . . 0.435 ' O ' ' OG1' ' G' ' 33' ' ' THR . 0.0 OUTLIER -65.66 101.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.049 -178.209 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' F' F ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -56.53 141.55 42.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.339 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 35' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -108.1 119.35 39.22 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.757 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.8 -112.97 0.01 OUTLIER Glycine 0 CA--C 1.521 0.463 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 37' ' ' VAL . . . . . . . . . . . . . 13.3 m -130.01 148.81 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 38' ' ' LEU . . . . . . . . . . . . . 19.9 mt -117.01 130.21 56.53 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 39' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -125.94 116.9 22.21 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 120.672 0.272 . . . . 0.0 110.313 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.65 118.9 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.532 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.05 70.36 1.11 Allowed Glycine 0 CA--C 1.528 0.878 0 C-N-CA 120.081 -1.056 . . . . 0.0 111.067 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 64.1 m -137.35 136.14 37.65 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 120.741 0.305 . . . . 0.0 110.478 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 43' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -117.92 126.62 52.71 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.883 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 44' ' ' THR . . . . . . . . . . . . . 89.3 m -131.9 126.57 34.48 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.84 0.353 . . . . 0.0 110.278 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 45' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -138.63 135.55 35.02 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.2 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -140.36 115.93 10.12 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.505 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.35 77.31 0.52 Allowed Glycine 0 CA--C 1.523 0.555 0 C-N-CA 120.361 -0.923 . . . . 0.0 110.959 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 48' ' ' VAL . . . . . . . . . . . . . 97.9 t -141.86 137.44 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-O 120.616 0.246 . . . . 0.0 110.636 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.07 142.75 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-O 121.166 0.507 . . . . 0.0 110.856 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 50' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -144.42 119.46 10.03 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.142 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.7 135.14 9.05 Favored Glycine 0 N--CA 1.475 1.299 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 52' ' ' VAL . . . . . . . . . . . . . 73.5 t -129.58 125.52 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.0 127.47 40.07 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.656 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 54' ' ' THR . . . . . . . . . . . . . 91.9 m -127.32 126.41 42.54 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.229 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 55' ' ' VAL . . . . . . . . . . . . . 82.3 t -128.22 123.4 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.172 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.17 -77.95 0.4 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -57.13 -163.84 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.777 0.323 . . . . 0.0 110.252 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 58' ' ' LYS . . . . . 0.459 ' O ' ' CB ' ' G' ' 58' ' ' LYS . 44.5 pttt -102.84 158.39 16.3 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.525 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 59' ' ' THR . . . . . . . . . . . . . 77.8 p -81.14 -36.74 29.86 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.032 0.444 . . . . 0.0 110.262 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 60' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' G' ' 61' ' ' GLU . 32.7 tttp 73.66 67.04 0.1 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.67 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 61' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' E' ' 60' ' ' LYS . 95.2 mt-10 -99.69 82.26 2.59 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 120.872 0.368 . . . . 0.0 110.672 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -72.42 -82.81 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.077 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 63' ' ' VAL . . . . . . . . . . . . . 68.0 t -117.22 121.17 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-O 120.998 0.428 . . . . 0.0 110.791 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 91.0 m -124.01 126.78 46.88 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.17 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 65' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -130.33 115.28 16.69 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.563 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 66' ' ' VAL . . . . . . . . . . . . . 93.4 t -132.75 130.79 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-O 120.794 0.331 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.32 -59.35 3.12 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.82 -107.38 0.08 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.43 154.56 47.81 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 120.896 0.379 . . . . 0.0 110.684 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.41 131.7 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-O 121.352 0.596 . . . . 0.0 111.032 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 71' ' ' VAL . . . . . . . . . . . . . 58.4 t -127.19 123.87 63.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.983 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 72' ' ' THR . . . . . . . . . . . . . 72.3 p -126.02 146.27 49.96 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.91 0.386 . . . . 0.0 110.9 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.68 -126.61 6.9 Favored Glycine 0 N--CA 1.476 1.338 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.84 130.17 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-O 121.331 0.586 . . . . 0.0 111.23 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 75' ' ' THR . . . . . . . . . . . . . 89.2 m -130.4 128.26 41.01 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.65 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.64 139.0 38.35 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 120.766 0.317 . . . . 0.0 111.179 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 m -140.19 143.02 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.719 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 78' ' ' ALA . . . . . 0.439 ' O ' ' O ' ' E' ' 79' ' ' GLN . . . -115.41 117.6 30.86 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 79' ' ' GLN . . . . . 0.442 ' O ' ' O ' ' G' ' 78' ' ' ALA . 35.3 mt-30 -140.47 161.25 38.18 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 80' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -114.1 -61.1 1.79 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -136.09 144.98 45.44 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.981 0.42 . . . . 0.0 110.961 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.66 143.63 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-O 121.014 0.435 . . . . 0.0 110.787 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -146.5 144.01 29.34 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.97 0.414 . . . . 0.0 110.999 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.9 131.48 1.65 Allowed Glycine 0 N--CA 1.466 0.669 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.63 127.61 33.07 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.357 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.26 5.84 67.74 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 87' ' ' SER . . . . . 0.402 ' O ' ' OG ' ' G' ' 87' ' ' SER . 31.4 t -80.87 153.03 27.86 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.989 0.423 . . . . 0.0 110.815 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 88' ' ' ILE . . . . . . . . . . . . . 4.8 pt -125.25 130.4 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.27 -60.81 1.97 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.822 0.344 . . . . 0.0 110.322 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.63 117.5 17.1 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.112 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.31 121.66 11.63 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.857 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 92' ' ' THR . . . . . . . . . . . . . 8.9 p -92.96 106.23 18.23 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.32 92.62 0.51 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.591 -1.003 . . . . 0.0 110.591 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 94' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -118.75 120.01 36.12 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -141.93 123.45 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-O 121.281 0.562 . . . . 0.0 110.628 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 96' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -124.05 123.97 41.51 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.233 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 97' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -112.18 124.05 51.6 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 98' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' G' ' 98' ' ' ASP . 20.4 t0 58.17 169.81 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.168 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 99' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -150.05 147.93 28.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.918 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 tt -72.32 -60.15 2.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.915 0.388 . . . . 0.0 110.106 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.94 -164.24 25.82 Favored Glycine 0 N--CA 1.468 0.807 0 N-CA-C 110.611 -0.995 . . . . 0.0 110.611 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 102' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -142.53 132.98 25.01 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.87 0.367 . . . . 0.0 110.157 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 103' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -140.78 127.47 20.29 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.179 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 104' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -85.35 1.42 48.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.346 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 105' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 57.12 57.48 4.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.408 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.6 -38.99 94.5 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.68 151.55 96.41 Favored Pre-proline 0 CA--C 1.539 0.519 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 108' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.69 100.98 1.11 Allowed 'Trans proline' 0 N--CA 1.497 1.687 0 C-N-CA 122.143 1.895 . . . . 0.0 111.879 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 109' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -63.71 -39.99 95.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.473 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 110' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -125.47 150.56 47.24 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.263 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 111' ' ' GLY . . . . . . . . . . . . . . . -137.76 153.5 22.18 Favored Glycine 0 N--CA 1.471 1.031 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 112' ' ' ILE . . . . . . . . . . . . . 3.3 mp -108.55 97.27 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-O 120.854 0.359 . . . . 0.0 110.54 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 113' ' ' LEU . . . . . . . . . . . . . 26.1 mt 41.83 82.21 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.017 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 114' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -83.18 118.02 23.32 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.949 0.405 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 115' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.05 -38.95 93.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.967 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 116' ' ' MET . . . . . . . . . . . . . 65.3 mtt -129.57 77.79 76.58 Favored Pre-proline 0 N--CA 1.476 0.83 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.909 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 117' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.28 139.6 81.22 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 122.558 2.172 . . . . 0.0 112.126 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 118' ' ' VAL . . . . . . . . . . . . . 13.7 p -147.74 136.55 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.104 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 119' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -70.41 151.18 95.72 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.375 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 120' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -41.02 -47.43 4.99 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 121.892 1.728 . . . . 0.0 112.326 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 121' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' F' ' 123' ' ' GLU . 59.4 p30 -162.55 -168.49 1.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.499 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 122' ' ' ASN . . . . . . . . . . . . . 40.1 t30 55.97 -81.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.721 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 123' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' F' ' 121' ' ' ASP . 84.2 tt0 52.8 68.15 0.88 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.319 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 124' ' ' ALA . . . . . . . . . . . . . . . -92.9 121.99 34.82 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.741 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 125' ' ' TYR . . . . . 0.409 ' OH ' ' OE2' ' F' ' 123' ' ' GLU . 85.9 m-85 -87.53 157.24 19.21 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.653 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 126' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -142.8 157.41 44.65 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.87 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 127' ' ' MET . . . . . . . . . . . . . 81.3 mmm -134.61 150.92 74.96 Favored Pre-proline 0 N--CA 1.477 0.88 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.232 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 128' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -70.08 146.96 59.73 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 121.936 1.757 . . . . 0.0 111.848 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 129' ' ' SER . . . . . . . . . . . . . 22.7 t -165.68 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 130' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -135.87 132.77 36.99 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.334 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 131' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -85.07 145.66 27.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.202 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 132' ' ' GLY . . . . . . . . . . . . . . . -64.38 138.84 41.17 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 133' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -71.05 -29.28 65.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.814 0.34 . . . . 0.0 110.416 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 134' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -58.92 104.24 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.472 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 135' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' F' ' 136' ' ' TYR . 65.3 t0 -173.34 -114.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.352 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 136' ' ' TYR . . . . . 0.415 ' N ' ' OD1' ' F' ' 135' ' ' ASP . 23.3 t80 -80.3 168.61 18.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.228 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 137' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -130.44 76.99 76.8 Favored Pre-proline 0 N--CA 1.472 0.628 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.279 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 138' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -83.33 80.21 2.64 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.605 2.204 . . . . 0.0 111.995 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 139' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -61.87 -39.48 92.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.582 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.49 -179.768 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 1' ' ' MET . . . . . . . . . . . . . 13.7 tpt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 2' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' G' ' 3' ' ' VAL . 40.5 p-10 -67.85 -38.41 83.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.022 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . 0.516 ' N ' ' OD1' ' G' ' 2' ' ' ASP . 31.6 m -61.57 -24.34 33.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.718 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -61.9 -41.01 97.41 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.245 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 5' ' ' MET . . . . . . . . . . . . . 78.9 mtm 54.59 49.05 19.0 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 58.3 mttp 49.21 -147.75 0.29 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.243 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 7' ' ' GLY . . . . . 0.45 ' C ' ' N ' ' G' ' 9' ' ' SER . . . -160.97 158.5 30.1 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp 45.53 19.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.208 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 9' ' ' SER . . . . . 0.45 ' N ' ' C ' ' G' ' 7' ' ' GLY . 69.5 m -149.97 26.72 0.8 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.601 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 10' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -61.41 -43.07 99.51 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.305 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 11' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' G' ' 13' ' ' GLU . . . -64.78 -40.42 95.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.682 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 pttp 33.76 33.39 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.422 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 13' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' G' ' 11' ' ' ALA . 30.5 tt0 -156.33 -119.32 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.258 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 14' ' ' GLY . . . . . . . . . . . . . . . 59.36 -134.74 51.8 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.514 -1.035 . . . . 0.0 110.514 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 15' ' ' VAL . . . . . . . . . . . . . 33.4 m -138.74 149.77 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-O 120.747 0.308 . . . . 0.0 110.27 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 23.3 m -94.01 -30.85 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.372 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.0 147.22 32.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.617 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 18' ' ' ALA . . . . . . . . . . . . . . . 46.65 23.25 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.587 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.4 94.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.603 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 20' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 50.75 25.34 2.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.474 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 21' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -62.71 -41.51 99.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 22' ' ' THR . . . . . 0.475 ' HG1' ' H ' ' G' ' 24' ' ' GLN . 0.7 OUTLIER -75.98 140.88 42.24 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.414 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' G' G ' 23' ' ' LYS . . . . . 0.51 ' C ' ' H ' ' G' ' 25' ' ' GLY . 22.4 pttp -67.39 -16.01 64.0 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.196 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 24' ' ' GLN . . . . . 0.475 ' H ' ' HG1' ' G' ' 22' ' ' THR . 95.3 mt-30 56.07 3.5 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.139 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' G' ' 23' ' ' LYS . . . 55.82 45.88 84.73 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 110.304 -1.119 . . . . 0.0 110.304 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 26' ' ' VAL . . . . . . . . . . . . . 73.7 t -56.58 -47.34 82.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.118 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.74 124.55 42.13 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.614 0.245 . . . . 0.0 110.4 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 28' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -157.13 121.24 4.29 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.802 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 29' ' ' ALA . . . . . . . . . . . . . . . -118.79 122.76 43.16 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.302 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.68 132.53 39.01 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.554 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.54 62.88 4.25 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 32' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -64.23 156.65 28.08 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.099 0.476 . . . . 0.0 110.51 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 33' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' F' ' 33' ' ' THR . 0.0 OUTLIER -65.7 101.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.072 -178.305 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' G' G ' 34' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -56.59 141.5 42.98 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.319 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -108.07 119.45 39.5 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.816 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.84 -113.03 0.01 OUTLIER Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 37' ' ' VAL . . . . . . . . . . . . . 13.4 m -129.99 148.73 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 38' ' ' LEU . . . . . . . . . . . . . 20.2 mt -116.87 130.13 56.52 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 39' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -125.9 117.01 22.41 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-O 120.732 0.301 . . . . 0.0 110.343 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 63.0 t -131.64 118.94 40.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.486 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.95 70.57 1.05 Allowed Glycine 0 C--O 1.245 0.84 0 C-N-CA 120.005 -1.093 . . . . 0.0 111.002 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 65.1 m -137.32 136.18 37.75 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 120.658 0.266 . . . . 0.0 110.544 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 43' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -117.85 126.64 52.77 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 44' ' ' THR . . . . . . . . . . . . . 88.7 m -132.03 126.6 34.27 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.85 0.357 . . . . 0.0 110.322 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 45' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -138.71 135.5 34.82 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.199 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 46' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -140.36 116.0 10.17 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.406 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.18 77.77 0.49 Allowed Glycine 0 CA--C 1.523 0.543 0 C-N-CA 120.409 -0.9 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 48' ' ' VAL . . . . . . . . . . . . . 97.8 t -142.29 137.39 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 120.765 0.316 . . . . 0.0 110.475 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.12 142.94 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-O 121.256 0.551 . . . . 0.0 110.787 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 50' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -144.41 119.41 10.01 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.142 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.73 135.28 9.11 Favored Glycine 0 N--CA 1.475 1.295 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 52' ' ' VAL . . . . . . . . . . . . . 76.3 t -129.56 125.66 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.17 127.4 39.64 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.653 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 54' ' ' THR . . . . . . . . . . . . . 91.7 m -127.27 126.34 42.5 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.254 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 55' ' ' VAL . . . . . . . . . . . . . 83.9 t -128.13 123.29 60.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.223 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.94 -78.36 0.39 Allowed 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.8 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -57.06 -163.81 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.798 0.332 . . . . 0.0 110.256 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 58' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' H' ' 58' ' ' LYS . 44.5 pttt -102.77 158.18 16.44 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.571 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 59' ' ' THR . . . . . . . . . . . . . 79.8 p -80.93 -36.79 30.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 110.291 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 60' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' H' ' 61' ' ' GLU . 32.6 tttp 73.9 66.93 0.09 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.573 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 61' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' F' ' 60' ' ' LYS . 95.3 mt-10 -99.63 81.79 2.54 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 120.901 0.381 . . . . 0.0 110.794 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -71.95 -83.15 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.145 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 63' ' ' VAL . . . . . . . . . . . . . 73.5 t -116.88 121.12 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-O 120.908 0.385 . . . . 0.0 110.783 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 90.6 m -123.79 126.91 47.31 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.191 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 65' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -130.39 115.24 16.6 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.517 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 66' ' ' VAL . . . . . . . . . . . . . 92.7 t -132.78 130.75 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-O 120.792 0.33 . . . . 0.0 110.871 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.15 -59.38 3.14 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.74 -107.38 0.07 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.46 154.63 47.78 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.855 0.36 . . . . 0.0 110.753 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.57 131.82 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-O 121.271 0.558 . . . . 0.0 111.093 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 71' ' ' VAL . . . . . . . . . . . . . 58.4 t -127.27 123.91 62.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.05 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 72' ' ' THR . . . . . . . . . . . . . 73.3 p -126.04 146.41 49.91 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 120.991 0.424 . . . . 0.0 110.9 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.51 -126.57 6.9 Favored Glycine 0 N--CA 1.476 1.367 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.94 130.14 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-O 121.252 0.549 . . . . 0.0 111.293 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 75' ' ' THR . . . . . . . . . . . . . 88.5 m -130.38 128.17 40.85 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.731 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.56 139.14 38.55 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-O 120.765 0.317 . . . . 0.0 111.145 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 m -140.17 143.05 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 121.968 -0.457 . . . . 0.0 110.79 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 78' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' F' ' 79' ' ' GLN . . . -115.43 117.57 30.78 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.621 179.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 79' ' ' GLN . . . . . 0.441 ' O ' ' O ' ' H' ' 78' ' ' ALA . 35.5 mt-30 -140.52 161.09 38.56 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 80' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -114.01 -60.89 1.82 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -136.2 145.14 45.39 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.912 0.387 . . . . 0.0 110.99 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.67 143.69 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-O 120.963 0.411 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -146.61 143.84 29.11 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.945 0.403 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.05 131.46 1.63 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.65 127.65 33.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.799 0.333 . . . . 0.0 110.353 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.22 5.88 67.6 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 87' ' ' SER . . . . . 0.409 ' O ' ' OG ' ' H' ' 87' ' ' SER . 31.1 t -80.93 153.02 27.77 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.096 0.474 . . . . 0.0 110.832 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 88' ' ' ILE . . . . . . . . . . . . . 4.8 pt -125.26 130.29 72.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.665 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.06 -60.56 2.06 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.76 0.314 . . . . 0.0 110.439 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.88 117.46 16.83 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.122 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.31 121.7 11.65 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.903 0.382 . . . . 0.0 110.774 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 92' ' ' THR . . . . . . . . . . . . . 8.8 p -92.76 106.17 18.19 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.28 92.7 0.51 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 94' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -118.82 120.02 36.11 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.791 0.329 . . . . 0.0 110.148 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -141.8 123.33 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 121.204 0.526 . . . . 0.0 110.573 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 96' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -123.52 123.69 41.17 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.968 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 97' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -120.86 128.8 53.16 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.362 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 98' ' ' ASP . . . . . 0.417 ' O ' ' OD2' ' F' ' 98' ' ' ASP . 34.5 t70 -147.54 63.18 1.14 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.983 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 99' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -64.52 129.67 40.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.152 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 100' ' ' LEU . . . . . . . . . . . . . 29.4 tp -141.01 115.47 9.45 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.939 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 101' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' G' ' 102' ' ' LYS . . . 178.53 173.14 43.63 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.454 -1.058 . . . . 0.0 110.454 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 102' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' G' ' 101' ' ' GLY . 33.0 ttmt 54.93 110.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 110.609 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 103' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' G' ' 103' ' ' ASN . 11.5 p30 -133.93 124.39 26.29 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.942 0.401 . . . . 0.0 110.558 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 104' ' ' GLU . . . . . . . . . . . . . 45.3 mp0 -64.04 -39.45 94.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.447 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 105' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -71.43 145.85 49.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.536 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 106' ' ' GLY . . . . . . . . . . . . . . . -150.18 4.59 0.62 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.28 148.42 95.67 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 108' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -42.62 -46.7 8.07 Favored 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 121.812 1.675 . . . . 0.0 112.59 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 109' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -98.19 123.41 42.25 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.972 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 110' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -64.6 -39.37 93.6 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.602 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 111' ' ' GLY . . . . . . . . . . . . . . . -162.21 168.06 37.07 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 112' ' ' ILE . . . . . 0.418 ' O ' ' O ' ' G' ' 113' ' ' LEU . 33.4 pt -103.37 -6.26 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-O 120.753 0.311 . . . . 0.0 111.036 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 113' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' G' ' 112' ' ' ILE . 58.1 tp 50.18 99.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.003 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 114' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -84.42 -5.8 59.32 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.442 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 115' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -82.3 68.19 8.63 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.522 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 116' ' ' MET . . . . . 0.588 ' N ' ' CD ' ' G' ' 117' ' ' PRO . 0.0 OUTLIER -75.01 -39.94 3.51 Favored Pre-proline 0 CA--C 1.544 0.73 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.147 179.762 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' G' G ' 117' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' G' ' 116' ' ' MET . 39.5 Cg_exo -58.9 141.33 98.02 Favored 'Trans proline' 0 N--CA 1.503 2.086 0 C-N-CA 122.698 2.265 . . . . 0.0 112.392 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 118' ' ' VAL . . . . . . . . . . . . . 28.2 m -121.84 -2.66 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.341 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 119' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -142.27 73.32 21.51 Favored Pre-proline 0 N--CA 1.472 0.626 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.553 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 120' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.71 138.64 81.85 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 122.655 2.237 . . . . 0.0 112.023 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 121' ' ' ASP . . . . . 0.402 ' O ' ' CB ' ' G' ' 125' ' ' TYR . 57.4 p30 -93.34 10.71 30.97 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.379 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 122' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' G' ' 124' ' ' ALA . 95.1 m-20 -119.69 -177.62 3.43 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.465 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 123' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 57.74 -84.62 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 124' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' G' ' 122' ' ' ASN . . . -60.51 -36.68 78.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.429 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 125' ' ' TYR . . . . . 0.402 ' CB ' ' O ' ' G' ' 121' ' ' ASP . 86.1 t80 -55.91 -35.93 67.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.469 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 126' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.55 108.32 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.409 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 127' ' ' MET . . . . . . . . . . . . . 98.0 mmm -132.36 66.77 77.81 Favored Pre-proline 0 N--CA 1.472 0.658 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.212 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 128' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.93 -14.77 26.48 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.209 1.939 . . . . 0.0 111.883 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 129' ' ' SER . . . . . . . . . . . . . 71.0 m -68.59 140.52 55.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.356 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 130' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' G' ' 130' ' ' GLU . 57.8 mp0 -108.63 129.48 55.33 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.443 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 131' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' G' ' 132' ' ' GLY . 3.1 pp20? -67.7 -32.79 73.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.663 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 132' ' ' GLY . . . . . 0.452 ' N ' ' CD ' ' G' ' 131' ' ' GLU . . . -77.33 153.6 41.38 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 133' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -81.71 151.32 27.57 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 134' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -60.67 -43.11 98.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.984 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 135' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -96.3 143.84 27.01 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.523 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 136' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -105.63 133.82 49.75 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 137' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -149.1 63.25 6.61 Favored Pre-proline 0 N--CA 1.465 0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.243 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 138' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -75.37 146.58 31.53 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.394 2.063 . . . . 0.0 111.684 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 139' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -100.92 123.74 45.56 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.267 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.636 -179.931 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' H' H ' 1' ' ' MET . . . . . . . . . . . . . 65.8 ttp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' H' H ' 2' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.24 141.54 55.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.38 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 12.1 m -64.85 -34.21 68.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.579 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -137.48 136.91 38.15 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 120.896 0.379 . . . . 0.0 110.585 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 5' ' ' MET . . . . . . . . . . . . . 98.0 mtp -87.95 145.95 25.77 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.541 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -131.64 148.13 52.57 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.557 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.31 143.07 12.7 Favored Glycine 0 N--CA 1.469 0.862 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 8' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' H' ' 8' ' ' LEU . 9.1 mp -89.16 152.4 21.64 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 9' ' ' SER . . . . . . . . . . . . . 28.5 t -139.64 -88.14 0.2 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.474 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 10' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -70.17 -20.1 63.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.451 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 11' ' ' ALA . . . . . . . . . . . . . . . 64.67 40.4 5.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.462 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -86.76 94.23 9.47 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.434 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 13' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -139.93 -23.17 0.85 Allowed 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.329 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.01 52.7 0.03 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 15' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.63 -42.41 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 m -54.06 -21.14 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.768 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 17' ' ' ALA . . . . . . . . . . . . . . . 50.22 37.58 15.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.67 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.31 139.53 58.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.356 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -156.82 160.08 38.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.405 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 20' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -75.37 76.61 2.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.515 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 21' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -159.11 136.95 10.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.178 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 22' ' ' THR . . . . . . . . . . . . . 95.6 m -104.05 129.69 51.71 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.239 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 23' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -59.02 122.05 12.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.583 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 45.36 39.57 4.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.5 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.13 3.18 87.65 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 26' ' ' VAL . . . . . . . . . . . . . 96.6 t -70.04 123.16 23.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.889 0.376 . . . . 0.0 110.408 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 27' ' ' ALA . . . . . . . . . . . . . . . -161.47 163.66 30.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.451 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 28' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -60.75 -43.4 98.01 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.378 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.17 112.35 16.35 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.523 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.82 133.29 39.63 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.564 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.43 63.1 4.12 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 32' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -64.16 156.55 28.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.053 0.454 . . . . 0.0 110.661 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 33' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' G' ' 33' ' ' THR . 0.0 OUTLIER -65.74 101.05 0.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.024 -178.278 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' H' H ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -56.66 141.55 43.19 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.368 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 35' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -107.99 119.56 39.8 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.831 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.92 -113.06 0.01 OUTLIER Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 37' ' ' VAL . . . . . . . . . . . . . 13.7 m -129.92 148.85 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 mt -116.95 129.9 56.34 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 39' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -125.9 117.06 22.52 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 120.66 0.267 . . . . 0.0 110.326 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 64.1 t -131.55 118.9 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.494 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.72 70.94 0.95 Allowed Glycine 0 C--O 1.246 0.876 0 C-N-CA 120.103 -1.046 . . . . 0.0 110.95 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 66.0 m -137.42 136.34 37.72 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 120.778 0.323 . . . . 0.0 110.549 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 43' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -117.75 126.74 53.01 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 44' ' ' THR . . . . . . . . . . . . . 89.1 m -132.33 126.57 33.59 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.885 0.374 . . . . 0.0 110.249 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 45' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -138.67 135.6 35.0 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.181 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 46' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -140.44 116.08 10.18 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.378 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.1 78.15 0.46 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 48' ' ' VAL . . . . . . . . . . . . . 97.7 t -142.71 137.37 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-O 120.695 0.283 . . . . 0.0 110.541 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.16 143.01 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-O 121.162 0.506 . . . . 0.0 110.807 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 50' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -144.45 119.49 10.04 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.189 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.89 135.37 9.11 Favored Glycine 0 N--CA 1.476 1.334 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 52' ' ' VAL . . . . . . . . . . . . . 78.6 t -129.46 125.72 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.16 127.45 39.73 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.595 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 54' ' ' THR . . . . . . . . . . . . . 92.4 m -127.29 126.34 42.46 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.194 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 55' ' ' VAL . . . . . . . . . . . . . 84.6 t -127.98 123.13 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.236 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.75 -78.74 0.37 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.816 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.87 -163.85 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.68 0.276 . . . . 0.0 110.368 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 58' ' ' LYS . . . . . 0.463 ' O ' ' CB ' ' I' ' 58' ' ' LYS . 44.6 pttt -102.86 158.05 16.54 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.589 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 59' ' ' THR . . . . . . . . . . . . . 79.7 p -80.82 -36.82 31.11 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.971 0.415 . . . . 0.0 110.269 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 60' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' I' ' 61' ' ' GLU . 32.5 tttp 73.95 66.9 0.09 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.553 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 61' ' ' GLU . . . . . 0.456 ' O ' ' O ' ' G' ' 60' ' ' LYS . 95.2 mt-10 -99.65 81.58 2.51 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-O 120.884 0.374 . . . . 0.0 110.733 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -71.64 -83.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.053 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 63' ' ' VAL . . . . . . . . . . . . . 77.0 t -116.19 121.23 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 90.4 m -123.8 126.77 47.05 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.249 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 65' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -130.23 115.14 16.56 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.572 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 66' ' ' VAL . . . . . . . . . . . . . 93.3 t -132.78 130.69 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-O 120.738 0.304 . . . . 0.0 110.94 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.91 -59.47 3.17 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.8 -107.38 0.08 OUTLIER Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.46 154.52 47.76 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.884 0.373 . . . . 0.0 110.629 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.66 131.9 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-O 121.292 0.568 . . . . 0.0 111.079 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 71' ' ' VAL . . . . . . . . . . . . . 58.3 t -127.31 123.99 63.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.106 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 72' ' ' THR . . . . . . . . . . . . . 72.2 p -126.07 146.56 49.86 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 120.885 0.374 . . . . 0.0 110.9 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.4 -126.58 6.91 Favored Glycine 0 N--CA 1.476 1.355 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.97 130.25 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-O 121.258 0.551 . . . . 0.0 111.297 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 75' ' ' THR . . . . . . . . . . . . . 88.8 m -130.57 128.08 40.36 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.717 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.42 139.22 38.81 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 120.723 0.297 . . . . 0.0 111.119 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 m -140.06 143.2 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 121.899 -0.501 . . . . 0.0 110.791 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 78' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' G' ' 79' ' ' GLN . . . -115.55 117.52 30.58 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 79' ' ' GLN . . . . . 0.443 ' O ' ' O ' ' I' ' 78' ' ' ALA . 35.8 mt-30 -140.56 160.98 38.83 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 80' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.91 -60.7 1.85 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -136.52 145.19 44.78 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.021 0.439 . . . . 0.0 110.931 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.68 143.7 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-O 121.051 0.453 . . . . 0.0 110.808 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -146.62 144.0 29.21 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.86 131.35 1.64 Allowed Glycine 0 N--CA 1.465 0.595 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.67 127.65 33.19 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.368 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.29 5.85 67.93 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 87' ' ' SER . . . . . 0.414 ' O ' ' OG ' ' I' ' 87' ' ' SER . 30.5 t -80.82 153.14 27.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.01 0.433 . . . . 0.0 110.81 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 88' ' ' ILE . . . . . . . . . . . . . 4.8 pt -125.44 130.23 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 89' ' ' ALA . . . . . . . . . . . . . . . -83.9 -60.3 2.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.847 0.356 . . . . 0.0 110.504 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 90' ' ' ALA . . . . . . . . . . . . . . . -134.19 117.46 16.54 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.216 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.36 121.85 11.72 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.938 0.399 . . . . 0.0 110.755 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 92' ' ' THR . . . . . . . . . . . . . 9.2 p -92.7 106.29 18.3 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.0 92.9 0.48 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 94' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -118.87 120.08 36.26 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.845 0.355 . . . . 0.0 110.148 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -141.63 123.25 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-O 121.201 0.524 . . . . 0.0 110.599 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 96' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -123.74 127.07 47.61 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.445 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 97' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -125.03 128.84 49.15 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.145 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 98' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -134.69 150.48 50.62 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.338 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 99' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -171.22 42.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.017 0.437 . . . . 0.0 110.245 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 100' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.78 -37.3 87.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.503 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 101' ' ' GLY . . . . . . . . . . . . . . . 62.41 -130.25 43.54 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 102' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -91.06 3.0 55.9 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.407 0.146 . . . . 0.0 111.347 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 103' ' ' ASN . . . . . . . . . . . . . 26.5 m120 58.62 25.79 13.67 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.822 0.344 . . . . 0.0 110.348 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 104' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -140.67 148.87 41.48 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.425 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 105' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -129.68 140.45 51.12 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.308 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 106' ' ' GLY . . . . . . . . . . . . . . . -137.68 146.75 18.66 Favored Glycine 0 N--CA 1.469 0.835 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.19 154.64 92.13 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 108' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -66.78 120.27 7.36 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 121.928 1.752 . . . . 0.0 111.555 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 109' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -65.14 -39.54 93.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.434 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 110' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -69.93 -148.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.446 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.6 5.98 86.15 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 112' ' ' ILE . . . . . . . . . . . . . 38.4 pt -96.7 156.02 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 120.828 0.347 . . . . 0.0 110.432 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 113' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.01 -173.22 4.43 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.349 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 114' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -148.33 160.51 42.92 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.263 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 115' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -59.76 138.47 57.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.477 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 116' ' ' MET . . . . . . . . . . . . . 50.4 ttm -149.79 64.58 7.1 Favored Pre-proline 0 N--CA 1.466 0.352 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 117' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -76.4 120.39 5.61 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.385 2.056 . . . . 0.0 111.965 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 118' ' ' VAL . . . . . . . . . . . . . 7.1 p -76.95 -23.09 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.71 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 119' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 55.67 72.65 0.99 Allowed Pre-proline 0 C--N 1.332 -0.161 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.8 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 120' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -57.42 146.73 81.85 Favored 'Trans proline' 0 N--CA 1.502 2.0 0 C-N-CA 123.1 2.533 . . . . 0.0 112.036 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 121' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -148.08 -4.19 0.48 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.639 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 122' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -98.14 114.45 26.66 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.606 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 123' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -90.83 1.82 56.63 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.371 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.28 -39.18 85.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.453 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 125' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' H' ' 125' ' ' TYR . 81.3 t80 56.83 53.83 7.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.585 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 126' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 49.78 -93.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.6 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 127' ' ' MET . . . . . 0.411 ' N ' ' O ' ' H' ' 125' ' ' TYR . 47.7 ttm 46.73 69.42 2.68 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.645 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 128' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -53.94 -37.74 85.91 Favored 'Trans proline' 0 N--CA 1.499 1.849 0 C-N-CA 122.739 2.293 . . . . 0.0 112.103 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 129' ' ' SER . . . . . . . . . . . . . 83.9 p -71.87 163.71 27.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.787 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 130' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 55.88 51.66 11.88 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.594 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 131' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -62.93 138.13 58.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.419 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 132' ' ' GLY . . . . . . . . . . . . . . . -65.19 -21.68 68.39 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 133' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -76.14 110.61 10.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.298 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 134' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -97.91 100.09 11.42 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.62 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 135' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -85.19 -179.09 6.93 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.539 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 136' ' ' TYR . . . . . 0.492 ' O ' ' CD1' ' H' ' 136' ' ' TYR . 53.0 p90 -81.51 130.29 34.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.372 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 137' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 46.42 68.02 3.82 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.489 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 138' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -50.61 132.74 36.75 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 122.676 2.251 . . . . 0.0 112.273 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 139' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -64.05 -41.78 97.26 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.351 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.586 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' I' I ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' I' I ' 2' ' ' ASP . . . . . 0.4 ' O ' ' CE2' ' I' ' 4' ' ' PHE . 97.0 m-20 -89.82 2.42 54.96 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.434 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 95.2 t -62.3 130.46 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.34 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . 0.4 ' CE2' ' O ' ' I' ' 2' ' ' ASP . 98.2 m-85 -107.27 147.74 29.85 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.392 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 5' ' ' MET . . . . . . . . . . . . . 25.0 ptp -149.28 159.58 44.14 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.602 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 6' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -80.23 155.55 27.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.279 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.14 -39.23 95.58 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.799 -0.921 . . . . 0.0 110.799 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 8' ' ' LEU . . . . . . . . . . . . . 83.6 mt -86.4 -5.69 59.11 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.944 0.402 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 55.1 m 56.48 43.1 26.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.416 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 10' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -82.88 130.86 35.19 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.01 0.433 . . . . 0.0 110.993 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 11' ' ' ALA . . . . . . . . . . . . . . . -114.82 58.6 0.7 Allowed 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.143 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 12' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -151.9 138.36 18.59 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.607 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -68.32 149.27 49.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.573 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.24 150.9 47.9 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 m -136.39 154.53 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 CA-C-O 120.826 0.345 . . . . 0.0 110.575 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 16' ' ' VAL . . . . . . . . . . . . . 34.7 m -141.25 160.71 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.517 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 17' ' ' ALA . . . . . . . . . . . . . . . 54.76 77.99 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.704 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 18' ' ' ALA . . . . . 0.441 ' C ' ' H ' ' I' ' 20' ' ' GLU . . . -60.27 -39.14 85.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.366 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 19' ' ' ALA . . . . . . . . . . . . . . . 72.77 -43.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.687 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 20' ' ' GLU . . . . . 0.441 ' H ' ' C ' ' I' ' 18' ' ' ALA . 24.2 tt0 42.77 -126.99 0.74 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.546 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 21' ' ' LYS . . . . . . . . . . . . . 82.2 tttt 59.08 161.77 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.664 0.269 . . . . 0.0 110.453 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m 72.26 36.67 1.04 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.644 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 23' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -95.06 114.37 26.17 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.108 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 24' ' ' GLN . . . . . 0.455 ' NE2' ' H ' ' I' ' 24' ' ' GLN . 4.4 mp0 -64.11 -39.89 95.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.677 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.68 -160.53 52.99 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 26' ' ' VAL . . . . . . . . . . . . . 95.2 t -119.85 117.73 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-O 120.88 0.371 . . . . 0.0 110.312 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 27' ' ' ALA . . . . . . . . . . . . . . . -172.06 152.71 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.509 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 28' ' ' GLU . . . . . 0.522 ' OE1' ' N ' ' I' ' 28' ' ' GLU . 14.8 pm0 -82.99 139.94 33.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 29' ' ' ALA . . . . . . . . . . . . . . . -166.01 138.24 3.94 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.862 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.72 133.96 38.58 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.636 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.53 63.24 4.02 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 32' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -64.1 156.58 27.87 Favored 'General case' 0 CA--C 1.521 -0.139 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.758 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 33' ' ' THR . . . . . 0.439 ' O ' ' OG1' ' J' ' 33' ' ' THR . 0.0 OUTLIER -65.81 101.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.976 -178.293 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -56.87 141.58 44.37 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.3 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -108.08 119.83 40.59 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.736 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.19 -113.04 0.01 OUTLIER Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 37' ' ' VAL . . . . . . . . . . . . . 13.9 m -129.88 148.82 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 38' ' ' LEU . . . . . . . . . . . . . 20.5 mt -116.83 129.79 56.3 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 39' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -125.93 117.08 22.55 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-O 120.706 0.288 . . . . 0.0 110.347 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 66.1 t -131.51 118.94 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.474 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.6 71.13 0.91 Allowed Glycine 0 C--O 1.245 0.816 0 C-N-CA 120.057 -1.068 . . . . 0.0 110.779 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 67.4 m -137.48 136.54 37.81 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 120.831 0.348 . . . . 0.0 110.455 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 43' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -117.56 126.64 52.91 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.959 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 44' ' ' THR . . . . . . . . . . . . . 89.0 m -132.41 126.6 33.51 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 120.868 0.366 . . . . 0.0 110.311 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 45' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -138.62 135.63 35.11 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.184 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 46' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -140.55 116.3 10.27 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.358 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.04 78.36 0.44 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.709 -0.957 . . . . 0.0 110.709 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 48' ' ' VAL . . . . . . . . . . . . . 98.2 t -142.98 137.45 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.722 0.296 . . . . 0.0 110.56 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.31 143.0 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-O 121.138 0.494 . . . . 0.0 110.794 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 50' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -144.54 119.59 10.05 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.171 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.09 135.47 9.11 Favored Glycine 0 N--CA 1.476 1.333 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 52' ' ' VAL . . . . . . . . . . . . . 83.2 t -129.44 125.79 62.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.13 127.57 40.04 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.65 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 54' ' ' THR . . . . . . . . . . . . . 91.9 m -127.28 126.36 42.5 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.134 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 55' ' ' VAL . . . . . . . . . . . . . 84.1 t -128.04 123.11 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.266 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.65 -79.11 0.36 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.787 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.79 -163.93 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 120.749 0.309 . . . . 0.0 110.301 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 58' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' J' ' 58' ' ' LYS . 44.5 pttt -103.02 157.67 16.82 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.578 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 59' ' ' THR . . . . . . . . . . . . . 81.0 p -80.27 -36.89 33.89 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.154 0.502 . . . . 0.0 110.404 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 60' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' J' ' 61' ' ' GLU . 32.4 tttp 73.92 66.77 0.09 Allowed 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.527 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 61' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' H' ' 60' ' ' LYS . 95.1 mt-10 -99.83 81.47 2.46 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 121.024 0.44 . . . . 0.0 110.789 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -71.41 -84.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.029 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 63' ' ' VAL . . . . . . . . . . . . . 80.6 t -115.81 121.17 66.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 120.795 0.331 . . . . 0.0 110.913 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 90.2 m -123.79 126.8 47.12 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 65' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -130.29 115.06 16.41 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.582 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 66' ' ' VAL . . . . . . . . . . . . . 93.2 t -132.76 130.74 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-O 120.821 0.343 . . . . 0.0 110.885 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.77 -59.44 3.21 Favored Glycine 0 CA--C 1.529 0.906 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.85 -107.43 0.08 OUTLIER Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.591 -0.604 . . . . 0.0 111.591 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.38 154.49 47.84 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.866 0.365 . . . . 0.0 110.654 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.81 131.91 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-O 121.31 0.576 . . . . 0.0 111.064 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 71' ' ' VAL . . . . . . . . . . . . . 58.0 t -127.35 124.0 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.083 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 72' ' ' THR . . . . . . . . . . . . . 74.0 p -126.17 146.58 49.9 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.021 0.439 . . . . 0.0 110.807 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.36 -126.42 6.84 Favored Glycine 0 N--CA 1.475 1.257 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.17 130.39 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-O 121.336 0.589 . . . . 0.0 111.33 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 75' ' ' THR . . . . . . . . . . . . . 88.6 m -130.77 128.02 39.9 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.682 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.48 139.36 38.77 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-O 120.786 0.327 . . . . 0.0 110.965 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 77' ' ' VAL . . . . . . . . . . . . . 3.3 m -140.08 143.36 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 121.923 -0.486 . . . . 0.0 110.679 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 78' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' H' ' 79' ' ' GLN . . . -115.57 117.49 30.48 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 79' ' ' GLN . . . . . 0.445 ' O ' ' O ' ' J' ' 78' ' ' ALA . 35.5 mt-30 -140.58 160.63 39.6 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 80' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.72 -60.31 1.9 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -136.88 145.11 43.97 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 120.948 0.404 . . . . 0.0 110.974 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.71 143.62 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-O 120.981 0.419 . . . . 0.0 110.797 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -146.61 144.05 29.25 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.8 131.29 1.63 Allowed Glycine 0 N--CA 1.466 0.685 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.67 127.53 32.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.782 0.325 . . . . 0.0 110.33 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.43 5.64 68.07 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 87' ' ' SER . . . . . 0.423 ' O ' ' OG ' ' J' ' 87' ' ' SER . 30.0 t -80.63 153.06 28.19 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.076 0.465 . . . . 0.0 110.802 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 88' ' ' ILE . . . . . . . . . . . . . 4.7 pt -125.32 130.28 72.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.683 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 89' ' ' ALA . . . . . . . . . . . . . . . -83.8 -60.13 2.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.789 0.328 . . . . 0.0 110.477 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 90' ' ' ALA . . . . . . . . . . . . . . . -134.54 117.51 16.27 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.153 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.42 121.85 11.68 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.945 0.402 . . . . 0.0 110.796 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 92' ' ' THR . . . . . . . . . . . . . 9.8 p -92.53 106.32 18.33 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.86 93.01 0.47 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 94' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -118.82 120.12 36.4 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 120.815 0.341 . . . . 0.0 110.177 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -141.61 123.33 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 121.172 0.51 . . . . 0.0 110.553 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 96' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -123.67 126.09 45.94 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.106 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 97' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -120.12 122.51 41.18 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.501 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 98' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -135.57 60.51 1.69 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.171 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 99' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -108.97 -63.16 1.38 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.798 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 100' ' ' LEU . . . . . . . . . . . . . 58.5 tp -159.11 115.82 2.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.11 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.01 143.67 29.0 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 102' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -88.33 165.63 14.85 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 110.543 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 103' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -79.43 73.43 6.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.134 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 104' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -81.39 74.56 8.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.367 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 105' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -77.84 143.9 37.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.966 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 106' ' ' GLY . . . . . . . . . . . . . . . -166.01 138.51 5.26 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.549 -1.021 . . . . 0.0 110.549 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.44 156.47 73.49 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 108' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -69.65 151.39 69.71 Favored 'Trans proline' 0 N--CA 1.498 1.784 0 C-N-CA 122.212 1.942 . . . . 0.0 111.772 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 109' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -81.99 -7.35 59.61 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.568 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 110' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -143.98 135.08 25.51 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.851 0.358 . . . . 0.0 110.359 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 111' ' ' GLY . . . . . . . . . . . . . . . 177.82 90.82 0.08 OUTLIER Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.691 -0.964 . . . . 0.0 110.691 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 112' ' ' ILE . . . . . . . . . . . . . 38.7 pt -132.99 159.1 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.837 0.351 . . . . 0.0 110.48 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 113' ' ' LEU . . . . . . . . . . . . . 70.3 mt -78.14 142.6 37.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.033 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 114' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -69.68 93.18 0.7 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.898 0.38 . . . . 0.0 110.171 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -79.73 -7.11 58.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.383 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 116' ' ' MET . . . . . . . . . . . . . 89.6 mtp 54.34 68.92 2.38 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.435 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 117' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -50.99 -36.34 53.49 Favored 'Trans proline' 0 N--CA 1.5 1.88 0 C-N-CA 122.927 2.418 . . . . 0.0 111.872 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 118' ' ' VAL . . . . . . . . . . . . . 9.6 p -113.61 138.75 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.264 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 119' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -134.59 152.28 77.48 Favored Pre-proline 0 N--CA 1.477 0.9 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.309 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 120' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -41.34 135.51 2.83 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 121.912 1.741 . . . . 0.0 112.231 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -74.45 78.32 1.92 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.179 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 122' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -97.85 129.3 44.82 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.869 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 123' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' I' ' 126' ' ' GLU . 99.1 mt-10 -62.9 -36.56 83.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.525 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.13 91.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 125' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -93.38 -7.44 44.68 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.59 0.233 . . . . 0.0 111.029 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 126' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' I' ' 123' ' ' GLU . 75.0 mm-40 -129.83 122.81 29.46 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 120.745 0.307 . . . . 0.0 110.338 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 97.9 mmm -132.79 73.11 76.49 Favored Pre-proline 0 N--CA 1.476 0.868 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 128' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.87 -31.6 81.88 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 C-N-CA 122.742 2.294 . . . . 0.0 111.907 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 129' ' ' SER . . . . . . . . . . . . . 96.3 p -61.69 -22.89 65.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.861 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 130' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -125.51 130.25 51.38 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 120.834 0.35 . . . . 0.0 110.425 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 131' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -110.24 123.29 49.52 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.194 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 132' ' ' GLY . . . . . . . . . . . . . . . 83.22 171.03 47.0 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 133' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -100.6 5.36 43.91 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 120.775 0.321 . . . . 0.0 110.625 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 134' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -51.16 131.84 27.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.695 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 135' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -97.3 133.84 41.38 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.76 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 136' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -75.6 130.25 38.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.555 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 137' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -153.76 56.1 1.51 Allowed Pre-proline 0 N--CA 1.463 0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.404 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 138' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.99 148.13 50.52 Favored 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.741 2.294 . . . . 0.0 112.148 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 139' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' I' ' 139' ' ' GLU . 19.7 pm0 -70.78 -15.66 62.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.149 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.48 179.777 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' J' J ' 1' ' ' MET . . . . . . . . . . . . . 87.4 mmm . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' J' J ' 2' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -82.41 109.78 16.96 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.836 0.35 . . . . 0.0 110.444 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 3' ' ' VAL . . . . . . . . . . . . . 15.9 t -63.46 146.26 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.224 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 64.65 87.32 0.12 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.359 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 5' ' ' MET . . . . . . . . . . . . . 76.4 mtm -61.3 -36.66 80.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.484 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 6' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -52.11 141.72 17.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.701 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.88 179.93 35.95 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 8' ' ' LEU . . . . . 0.485 ' CD2' ' N ' ' J' ' 8' ' ' LEU . 3.9 mm? 51.3 28.15 4.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.194 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 9' ' ' SER . . . . . . . . . . . . . 75.6 m -62.53 -40.09 95.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.798 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 10' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -84.34 126.57 33.33 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.687 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.16 146.02 45.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.973 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 12' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -62.12 -41.28 98.07 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.775 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 13' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -163.53 146.21 9.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.286 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.43 -158.09 50.16 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 15' ' ' VAL . . . . . . . . . . . . . 35.2 m -130.15 154.53 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-O 120.953 0.406 . . . . 0.0 110.558 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 16' ' ' VAL . . . . . . . . . . . . . 29.5 m -80.0 -30.78 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.804 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.71 141.99 58.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.458 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.62 136.13 57.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.408 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.17 95.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.502 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 20' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -76.12 136.19 39.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.668 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 21' ' ' LYS . . . . . 0.445 ' CB ' ' NZ ' ' J' ' 21' ' ' LYS . 8.7 mtpm? -81.48 140.63 34.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.506 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 22' ' ' THR . . . . . . . . . . . . . 72.5 p -77.66 160.46 28.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.124 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 23' ' ' LYS . . . . . . . . . . . . . 37.9 tptt 42.43 89.45 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.786 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 24' ' ' GLN . . . . . 0.505 ' OE1' ' N ' ' J' ' 24' ' ' GLN . 10.2 pm0 -76.21 -167.19 0.72 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.31 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.68 20.36 66.19 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 26' ' ' VAL . . . . . . . . . . . . . 13.4 p -51.45 -29.54 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.775 0.321 . . . . 0.0 110.668 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 27' ' ' ALA . . . . . . . . . . . . . . . -158.48 -160.03 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.396 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 28' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 56.15 -118.25 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.626 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.53 121.38 41.49 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.906 0.384 . . . . 0.0 110.838 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.0 136.1 31.79 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.54 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.3 63.35 4.01 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 32' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -63.85 156.42 27.53 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.081 0.467 . . . . 0.0 110.766 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 33' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' I' ' 33' ' ' THR . 0.0 OUTLIER -65.69 101.56 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.805 -178.453 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' J' J ' 34' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -57.43 141.62 46.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.198 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 35' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -107.98 120.15 41.49 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.729 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.53 -112.84 0.01 OUTLIER Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 37' ' ' VAL . . . . . . . . . . . . . 14.7 m -130.02 148.82 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 38' ' ' LEU . . . . . . . . . . . . . 20.9 mt -116.71 129.56 56.2 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 39' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -125.95 117.25 22.88 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 120.865 0.364 . . . . 0.0 110.332 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 68.5 t -131.37 119.07 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.539 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.58 70.24 1.13 Allowed Glycine 0 C--N 1.337 0.603 0 C-N-CA 120.04 -1.076 . . . . 0.0 111.026 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 42' ' ' SER . . . . . . . . . . . . . 67.6 m -136.53 137.03 39.84 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 120.9 0.381 . . . . 0.0 110.619 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 43' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -117.5 126.6 52.89 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.942 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 44' ' ' THR . . . . . . . . . . . . . 88.3 m -132.62 126.63 33.15 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.945 0.403 . . . . 0.0 110.258 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 45' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -138.55 135.66 35.27 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.146 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 46' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -140.87 116.58 10.28 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.897 0.379 . . . . 0.0 110.173 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.64 78.76 0.4 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 48' ' ' VAL . . . . . . . . . . . . . 98.7 t -143.31 137.45 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 115.773 -0.213 . . . . 0.0 110.446 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.53 143.11 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-O 121.234 0.54 . . . . 0.0 110.695 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 50' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -144.6 119.81 10.15 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.087 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.59 135.62 9.05 Favored Glycine 0 N--CA 1.477 1.375 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 52' ' ' VAL . . . . . . . . . . . . . 89.7 t -129.41 125.93 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.32 127.73 40.05 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 120.948 0.404 . . . . 0.0 110.55 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 54' ' ' THR . . . . . . . . . . . . . 92.3 m -127.28 126.32 42.43 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.173 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 55' ' ' VAL . . . . . . . . . . . . . 85.1 t -127.96 123.0 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.282 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.42 -79.57 0.35 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.724 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.67 -164.18 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.346 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 58' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' I' ' 58' ' ' LYS . 44.7 pttt -103.11 157.09 17.23 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.657 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 59' ' ' THR . . . . . . . . . . . . . 82.8 p -79.75 -36.8 36.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.464 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 60' ' ' LYS . . . . . . . . . . . . . 32.0 tttp 74.03 66.11 0.09 Allowed 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.647 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 61' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' I' ' 60' ' ' LYS . 95.3 mt-10 -99.52 81.19 2.47 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 120.943 0.401 . . . . 0.0 110.93 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -71.1 -84.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.105 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 63' ' ' VAL . . . . . . . . . . . . . 88.0 t -115.49 121.31 66.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.826 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 64' ' ' THR . . . . . . . . . . . . . 90.4 m -123.92 126.83 47.05 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 120.769 0.319 . . . . 0.0 110.158 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 65' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -130.14 115.01 16.44 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.619 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 66' ' ' VAL . . . . . . . . . . . . . 90.5 t -132.91 130.8 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-O 120.87 0.367 . . . . 0.0 110.88 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.56 -59.23 3.32 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.2 -107.58 0.08 OUTLIER Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.3 154.47 47.93 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.853 0.358 . . . . 0.0 110.53 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.09 131.8 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-O 121.228 0.537 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 71' ' ' VAL . . . . . . . . . . . . . 57.6 t -127.06 124.12 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.912 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 72' ' ' THR . . . . . . . . . . . . . 71.9 p -126.24 146.84 49.83 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.066 0.46 . . . . 0.0 110.8 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.09 -126.57 6.94 Favored Glycine 0 N--CA 1.473 1.127 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.21 130.53 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-O 121.333 0.587 . . . . 0.0 111.321 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 75' ' ' THR . . . . . . . . . . . . . 87.7 m -131.03 128.16 39.75 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.638 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.81 139.47 38.22 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 120.832 0.348 . . . . 0.0 110.708 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 77' ' ' VAL . . . . . . . . . . . . . 3.4 m -139.96 143.53 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.646 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 78' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' I' ' 79' ' ' GLN . . . -115.72 117.61 30.73 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 79' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -140.85 160.0 41.0 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 80' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.3 -59.33 2.03 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -137.93 144.9 41.48 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.988 0.423 . . . . 0.0 110.818 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.77 143.61 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 120.878 0.371 . . . . 0.0 110.665 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -146.71 144.12 29.21 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.68 131.19 1.63 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.68 127.44 32.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.865 0.364 . . . . 0.0 110.398 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.49 5.69 68.56 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 87' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' I' ' 87' ' ' SER . 29.0 t -80.71 152.73 28.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.834 0.349 . . . . 0.0 110.716 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 88' ' ' ILE . . . . . . . . . . . . . 4.7 pt -124.98 130.46 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 89' ' ' ALA . . . . . . . . . . . . . . . -83.77 -59.93 2.27 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.884 0.373 . . . . 0.0 110.493 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 90' ' ' ALA . . . . . . . . . . . . . . . -134.9 117.71 16.15 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.16 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.58 121.93 11.62 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.928 0.395 . . . . 0.0 110.721 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 92' ' ' THR . . . . . . . . . . . . . 10.7 p -92.59 106.42 18.4 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.913 0.387 . . . . 0.0 110.115 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.76 92.93 0.46 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 94' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -118.78 120.09 36.34 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -141.43 123.25 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-O 121.03 0.443 . . . . 0.0 110.538 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 96' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -124.43 129.51 50.79 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.252 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 97' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -127.01 146.14 50.46 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.105 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 98' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -66.97 162.3 22.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.181 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 99' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -143.15 76.41 1.52 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.168 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 100' ' ' LEU . . . . . . . . . . . . . 53.0 mt -108.72 147.05 32.54 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.087 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.17 -121.99 0.33 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 102' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp 55.33 -127.8 2.16 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.251 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 103' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 55.56 35.19 24.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.933 0.397 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 104' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.83 -39.8 91.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.422 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 105' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -138.18 179.69 6.3 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.714 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.56 13.17 68.14 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.39 151.31 97.28 Favored Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 110.345 -0.242 . . . . 0.0 110.345 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 108' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -64.59 -10.74 25.62 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 122.631 2.221 . . . . 0.0 111.877 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 109' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -59.5 -37.4 78.18 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 110' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -77.75 133.86 38.18 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 111' ' ' GLY . . . . . . . . . . . . . . . -98.09 145.51 17.81 Favored Glycine 0 N--CA 1.47 0.934 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 112' ' ' ILE . . . . . . . . . . . . . 86.5 mt -114.02 124.23 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-O 120.81 0.338 . . . . 0.0 110.431 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 113' ' ' LEU . . . . . . . . . . . . . 59.4 tp -124.76 127.72 47.65 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.989 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 114' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -66.01 125.15 24.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.402 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -101.15 179.45 4.37 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.511 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 116' ' ' MET . . . . . . . . . . . . . 77.6 mmm 46.78 67.91 3.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.505 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 117' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -52.98 -34.57 67.73 Favored 'Trans proline' 0 N--CA 1.5 1.875 0 C-N-CA 122.762 2.308 . . . . 0.0 112.147 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 118' ' ' VAL . . . . . . . . . . . . . 13.6 m -66.59 -20.3 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.992 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 119' ' ' ASP . . . . . . . . . . . . . 44.5 t0 48.54 78.95 0.37 Allowed Pre-proline 0 CA--C 1.529 0.172 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.531 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 120' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -80.65 153.08 20.07 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 122.271 1.981 . . . . 0.0 112.018 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -61.61 135.32 57.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.635 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 122' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -99.88 -179.65 4.23 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.549 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 123' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -84.59 96.59 9.22 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.927 0.394 . . . . 0.0 110.483 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 124' ' ' ALA . . . . . . . . . . . . . . . -94.69 3.62 54.83 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.475 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 125' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -73.02 75.33 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.764 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 126' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -94.61 56.09 2.02 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.559 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 13.6 tpt -140.92 69.44 29.29 Favored Pre-proline 0 N--CA 1.473 0.68 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.177 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 128' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -75.04 154.35 42.25 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 122.191 1.927 . . . . 0.0 112.001 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 129' ' ' SER . . . . . . . . . . . . . 38.5 t -61.67 138.44 58.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.583 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 130' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -136.53 146.73 46.53 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.634 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 131' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -74.16 146.4 43.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.626 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 132' ' ' GLY . . . . . . . . . . . . . . . 163.5 147.41 5.05 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 133' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -139.41 149.36 43.99 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.863 0.363 . . . . 0.0 110.517 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 134' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -63.1 -41.4 99.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.639 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 135' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -125.76 145.68 50.1 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.606 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 136' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -140.46 106.7 5.24 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.525 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 137' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -160.92 71.33 2.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.465 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 138' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.42 133.46 58.2 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.629 2.22 . . . . 0.0 111.978 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 139' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -95.6 -21.27 18.35 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.425 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.615 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 mmt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 52.67 40.52 30.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.611 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.8 p -52.3 147.18 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.515 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -152.55 -9.61 0.18 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.35 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 27.6 ttt -81.59 130.86 35.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.512 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -100.49 136.95 39.57 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.744 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.86 143.17 25.18 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.529 ' C ' ' H ' ' A' ' 10' ' ' LYS . 9.4 mp -92.64 108.05 19.68 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 m 61.82 -5.27 0.16 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.762 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.529 ' H ' ' C ' ' A' ' 8' ' ' LEU . 65.4 tttp -72.73 -42.85 63.68 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.797 0.332 . . . . 0.0 110.703 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.22 145.81 55.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.677 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -151.21 141.17 22.03 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.509 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -65.8 135.54 55.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.451 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.1 163.15 48.93 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.413 HG22 ' H ' ' A' ' 15' ' ' VAL . 20.0 m -90.61 -10.83 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 120.748 0.309 . . . . 0.0 110.552 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.2 t -72.24 -65.8 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.698 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.71 93.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.904 0.383 . . . . 0.0 110.493 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.34 -19.48 63.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.826 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.64 -39.15 83.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.363 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -96.98 123.09 40.61 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -145.25 154.67 42.62 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 t -65.71 140.98 58.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.515 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -94.65 73.61 3.69 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.854 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.433 ' CD ' ' N ' ' A' ' 25' ' ' GLY . 1.0 OUTLIER -161.27 140.18 10.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.548 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.433 ' N ' ' CD ' ' A' ' 24' ' ' GLN . . . 77.27 16.16 80.81 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.1 m -56.98 171.28 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.894 0.378 . . . . 0.0 110.444 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.1 140.94 58.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.528 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 77.6 mm-40 -83.13 159.34 22.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.721 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 28' ' ' GLU . . . 74.07 -29.87 0.2 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.747 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.474 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -130.01 131.02 45.7 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.234 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.69 62.77 4.52 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.227 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -64.54 156.87 28.41 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.534 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 33' ' ' THR . 0.0 OUTLIER -65.22 101.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.942 -178.45 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -56.49 141.13 43.77 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.409 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -107.57 119.56 39.75 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.85 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.62 -112.94 0.01 OUTLIER Glycine 0 CA--C 1.52 0.349 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.413 HG12 ' H ' ' B' ' 37' ' ' VAL . 13.8 m -130.3 148.96 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 mt -117.37 130.97 56.85 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -126.02 116.69 21.83 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 120.796 0.331 . . . . 0.0 110.583 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.1 t -132.91 118.16 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.396 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.42 68.75 1.55 Allowed Glycine 0 CA--C 1.534 1.273 0 C-N-CA 120.414 -0.898 . . . . 0.0 111.341 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.8 m -136.35 136.29 39.54 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.483 ' HG2' ' HZ3' ' B' ' 43' ' ' LYS . 70.9 mmtt -118.86 126.49 51.92 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.7 m -130.74 126.84 37.47 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -139.15 136.0 34.64 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -140.66 115.01 9.32 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.686 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.12 75.24 0.69 Allowed Glycine 0 CA--C 1.525 0.656 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.208 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.0 t -139.6 137.62 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-O 120.831 0.348 . . . . 0.0 110.547 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.3 p -135.75 141.9 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 121.042 0.449 . . . . 0.0 110.88 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -144.61 118.73 9.45 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.925 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.25 134.62 8.94 Favored Glycine 0 N--CA 1.476 1.366 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.7 t -129.07 125.66 63.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.09 127.64 40.24 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.499 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.0 m -127.58 126.45 42.12 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.308 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 80.2 t -128.5 124.26 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.003 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.32 -75.55 0.48 Allowed 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.624 0.25 . . . . 0.0 111.021 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -58.11 -162.83 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' B' ' 58' ' ' LYS . 45.4 pttt -103.74 158.71 16.2 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.502 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 78.7 p -81.75 -36.96 27.97 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' B' ' 61' ' ' GLU . 33.4 tttp 72.67 68.1 0.12 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.628 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -99.29 83.71 2.89 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 120.715 0.293 . . . . 0.0 110.423 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -74.2 -81.73 0.06 Allowed 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.765 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.57 121.33 66.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-O 121.168 0.508 . . . . 0.0 110.912 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.0 m -124.26 126.8 46.68 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.108 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -130.76 115.74 17.05 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 120.919 0.39 . . . . 0.0 110.497 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.52 130.88 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.48 -58.35 3.12 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.07 -107.12 0.08 OUTLIER Glycine 0 CA--C 1.528 0.871 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.94 154.24 47.15 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 120.954 0.407 . . . . 0.0 110.699 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.82 131.54 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.06 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.8 t -127.24 123.75 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.901 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.0 p -125.86 146.39 49.84 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 120.768 0.318 . . . . 0.0 110.777 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.64 -126.98 7.06 Favored Glycine 0 N--CA 1.477 1.43 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.4 p -139.82 130.18 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 121.135 0.493 . . . . 0.0 111.078 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.6 m -130.54 127.97 40.19 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.515 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.78 138.86 37.99 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.178 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.417 HG22 HG12 ' B' ' 77' ' ' VAL . 3.1 m -140.41 143.92 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 120.925 0.393 . . . . 0.0 110.606 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -116.61 117.35 29.6 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.747 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.449 ' O ' ' O ' ' B' ' 78' ' ' ALA . 36.4 mt-30 -139.78 162.21 35.68 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -114.74 -61.88 1.68 Allowed 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -135.48 144.74 46.56 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.782 0.325 . . . . 0.0 110.713 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.85 143.96 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.575 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -146.78 144.14 29.16 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.713 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.12 131.47 1.63 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.85 126.78 30.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.84 0.352 . . . . 0.0 110.383 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.91 5.57 70.39 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.9 t -80.86 152.9 27.93 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.992 0.425 . . . . 0.0 110.826 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 5.3 pt -124.96 130.24 73.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.892 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.31 -60.54 2.05 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.853 0.359 . . . . 0.0 110.497 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.88 117.46 16.82 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.028 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.5 121.77 11.57 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.711 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.421 ' OG1' HG21 ' B' ' 71' ' ' VAL . 7.4 p -93.36 106.32 18.3 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.006 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.3 92.24 0.52 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -118.56 119.96 36.07 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.2 p -142.53 123.73 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 121.289 0.566 . . . . 0.0 110.637 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -123.63 120.29 32.34 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.102 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -104.5 105.52 15.66 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.056 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' A' ' 98' ' ' ASP . 63.1 t0 -150.74 43.36 0.82 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.542 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 51.72 36.09 16.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.467 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 100' ' ' LEU . 10.8 mp 46.81 29.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.287 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.66 164.72 54.71 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -107.71 145.57 33.27 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 120.818 0.342 . . . . 0.0 110.655 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -95.4 7.59 45.74 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.611 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 56.17 97.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -81.51 160.08 24.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.731 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.82 158.53 34.4 Favored Glycine 0 N--CA 1.467 0.739 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -73.97 157.61 86.85 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.25 148.5 74.57 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 122.293 1.995 . . . . 0.0 111.747 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -81.81 159.26 23.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.796 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.86 156.52 17.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.317 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.77 158.91 46.58 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 84.5 mt -77.33 125.86 37.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.845 0.355 . . . . 0.0 110.659 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.458 HD23 ' H ' ' A' ' 113' ' ' LEU . 0.2 OUTLIER -95.86 -106.67 0.15 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.195 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.446 ' H ' ' CG ' ' A' ' 113' ' ' LEU . 76.6 mm-40 -105.63 162.57 13.39 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.678 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -58.66 -38.44 78.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.341 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.568 ' H ' ' CD ' ' A' ' 117' ' ' PRO . 0.5 OUTLIER -172.72 -44.1 0.0 OUTLIER Pre-proline 0 CA--C 1.544 0.736 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.401 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.568 ' CD ' ' H ' ' A' ' 116' ' ' MET . 53.0 Cg_exo -57.88 141.68 96.03 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 122.476 2.118 . . . . 0.0 112.171 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 27.2 m -128.81 152.13 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.237 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -131.57 75.18 77.16 Favored Pre-proline 0 N--CA 1.471 0.591 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.425 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -52.07 137.32 53.8 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 C-N-CA 122.575 2.184 . . . . 0.0 111.977 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 121' ' ' ASP . 66.7 t0 -138.42 -31.75 0.73 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.404 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -75.22 -8.28 56.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.926 0.393 . . . . 0.0 109.986 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -91.16 -3.57 56.91 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.683 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -55.84 139.1 46.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.864 0.364 . . . . 0.0 110.25 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.414 ' CG ' ' N ' ' A' ' 126' ' ' GLU . 25.7 t80 -157.77 177.37 11.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.399 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 125' ' ' TYR . 53.0 tp10 -60.86 -40.97 94.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.417 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 70.1 mtm -129.78 77.5 76.78 Favored Pre-proline 0 N--CA 1.476 0.84 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.82 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -54.35 136.91 70.66 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 122.796 2.331 . . . . 0.0 112.185 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 40.0 t -86.14 132.29 34.06 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.567 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -77.74 144.62 37.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.364 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.438 ' OE1' ' O ' ' A' ' 132' ' ' GLY . 15.6 tm-20 -86.68 132.34 33.9 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.824 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.438 ' O ' ' OE1' ' A' ' 131' ' ' GLU . . . -55.21 136.71 45.83 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -78.95 -3.89 47.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 0.0 110.568 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -61.23 -49.62 76.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.358 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 47.28 28.04 0.96 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.761 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 57.81 27.74 14.95 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.793 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 46.07 76.04 0.59 Allowed Pre-proline 0 C--N 1.333 -0.15 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.534 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -80.26 145.6 17.16 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.34 2.026 . . . . 0.0 112.268 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -63.3 -39.43 94.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.63 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.586 -179.884 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -80.37 113.14 18.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.471 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 62.3 t -75.72 118.11 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.0 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -69.56 -41.29 76.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.61 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 16.9 ptp -161.39 157.59 25.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.233 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -100.56 119.94 39.28 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.525 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.79 154.2 41.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 60.5 tp -106.38 119.59 39.66 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 120.798 0.333 . . . . 0.0 110.348 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 15.0 t 41.25 58.08 2.7 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.065 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.52 -42.97 97.5 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.554 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.75 149.24 49.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.431 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.479 ' N ' ' CD ' ' B' ' 12' ' ' LYS . 3.0 mptp? -63.06 138.9 58.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.107 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -93.52 136.9 33.33 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.454 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.23 -39.7 97.55 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 22.4 m -132.28 170.96 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 32.8 m -123.56 156.33 30.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.358 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.58 141.4 58.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.691 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.88 120.69 25.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.435 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.29 -19.5 65.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.548 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -59.47 -37.95 79.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.485 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -59.04 133.24 55.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.895 0.379 . . . . 0.0 110.442 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.416 ' H ' HG22 ' B' ' 22' ' ' THR . 0.7 OUTLIER -86.43 -30.43 22.09 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.824 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -68.84 140.6 55.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.486 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 51.94 42.48 30.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.508 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.2 -78.71 0.2 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 33.9 m -139.56 159.79 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-O 120.782 0.325 . . . . 0.0 110.518 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.05 118.34 8.97 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.274 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -90.42 137.87 32.01 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.479 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.98 131.68 43.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.724 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.61 131.13 46.4 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.311 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.8 63.15 4.22 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 120.604 -0.808 . . . . 0.0 111.16 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -64.93 156.91 29.57 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.492 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' THR . . . . . 0.453 HG22 ' H ' ' B' ' 33' ' ' THR . 0.0 OUTLIER -65.33 101.23 0.54 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.94 -178.303 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -56.61 141.19 44.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.373 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -107.63 119.52 39.65 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.816 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.86 -112.8 0.01 OUTLIER Glycine 0 CA--C 1.52 0.367 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.413 ' H ' HG12 ' A' ' 37' ' ' VAL . 13.3 m -130.29 149.09 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 20.5 mt -117.49 130.83 56.7 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -125.92 116.83 22.13 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 120.714 0.293 . . . . 0.0 110.492 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 58.4 t -132.41 118.01 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.569 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.28 69.22 1.41 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 120.095 -1.05 . . . . 0.0 111.259 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 61.5 m -136.82 136.26 38.65 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.66 0.267 . . . . 0.0 110.367 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.483 ' HZ3' ' HG2' ' A' ' 43' ' ' LYS . 70.8 mmtt -118.64 126.6 52.29 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 89.4 m -131.04 126.69 36.55 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.355 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -138.88 135.96 35.04 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.192 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -140.58 115.22 9.5 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.618 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.7 76.34 0.6 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 96.6 t -140.56 137.52 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 120.753 0.311 . . . . 0.0 110.586 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -135.79 142.06 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 121.26 0.552 . . . . 0.0 110.954 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -144.47 118.91 9.65 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.989 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.26 134.71 8.97 Favored Glycine 0 N--CA 1.477 1.379 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 67.8 t -129.14 125.63 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.16 127.59 40.02 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.504 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 91.1 m -127.44 126.41 42.31 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.336 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 82.6 t -128.5 123.96 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.006 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.0 -76.29 0.46 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.622 0.249 . . . . 0.0 110.945 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -57.67 -163.23 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 44.8 pttt -103.36 158.58 16.24 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.468 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 77.9 p -81.48 -37.02 28.62 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' C' ' 61' ' ' GLU . 33.2 tttp 73.29 67.73 0.11 Allowed 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.571 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.462 ' O ' ' O ' ' A' ' 60' ' ' LYS . 94.5 mt-10 -99.63 83.23 2.74 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 122.123 -0.36 . . . . 0.0 110.483 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -73.58 -81.93 0.06 Allowed 'General case' 0 CA--C 1.527 0.076 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.999 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 63.0 t -118.26 121.22 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-O 121.084 0.468 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 92.8 m -124.28 126.74 46.56 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.147 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -130.46 115.61 17.07 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.823 0.344 . . . . 0.0 110.589 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 96.9 t -132.61 130.97 59.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.18 -58.81 3.07 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.76 -107.25 0.08 OUTLIER Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.78 154.25 47.34 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.983 0.42 . . . . 0.0 110.751 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.86 131.3 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-O 121.206 0.527 . . . . 0.0 111.203 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' VAL . . . . . 0.421 HG21 ' OG1' ' A' ' 92' ' ' THR . 58.8 t -126.93 123.78 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.965 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 75.8 p -125.96 146.33 49.91 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 120.938 0.399 . . . . 0.0 110.796 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.66 -126.84 6.99 Favored Glycine 0 N--CA 1.476 1.33 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.72 130.11 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-O 121.259 0.552 . . . . 0.0 111.21 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 90.5 m -130.36 128.02 40.59 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.644 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.58 138.7 38.18 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-O 120.817 0.342 . . . . 0.0 111.285 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.417 HG12 HG22 ' A' ' 77' ' ' VAL . 3.1 m -140.29 143.54 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.609 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.449 ' O ' ' O ' ' A' ' 79' ' ' GLN . . . -116.18 117.7 30.77 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' GLN . . . . . 0.441 ' O ' ' O ' ' C' ' 78' ' ' ALA . 35.9 mt-30 -140.13 161.92 36.49 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -114.53 -61.72 1.7 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -135.41 144.78 46.72 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.077 0.465 . . . . 0.0 110.858 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.77 143.8 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-O 121.013 0.435 . . . . 0.0 110.7 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -146.68 144.16 29.26 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.07 131.34 1.62 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.64 127.06 31.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.337 . . . . 0.0 110.426 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.64 5.69 69.33 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 29.9 t -80.83 153.08 27.88 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.037 0.446 . . . . 0.0 110.805 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ILE . . . . . 0.411 HG21 HD13 ' B' ' 88' ' ' ILE . 5.1 pt -125.18 130.34 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.752 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.27 -60.86 1.96 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.854 0.359 . . . . 0.0 110.438 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.64 117.49 17.09 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.057 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.43 121.55 11.46 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.794 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.422 ' OG1' HG21 ' C' ' 71' ' ' VAL . 7.5 p -93.17 106.28 18.26 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.43 92.07 0.53 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -118.45 119.94 36.08 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -142.38 123.64 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 121.262 0.553 . . . . 0.0 110.637 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -123.65 119.96 31.38 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.046 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -106.38 113.32 26.77 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.635 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -97.38 -48.38 5.33 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.447 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 48.98 54.3 11.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.534 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.564 HD13 ' N ' ' B' ' 101' ' ' GLY . 0.2 OUTLIER -57.6 120.87 9.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.864 -179.748 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 101' ' ' GLY . . . . . 0.564 ' N ' HD13 ' B' ' 100' ' ' LEU . . . 85.66 -159.17 32.98 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -147.66 163.75 35.65 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.82 0.343 . . . . 0.0 110.758 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -63.5 142.88 58.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 58.17 71.6 0.57 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.539 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -62.86 -41.49 99.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.962 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.9 145.65 49.89 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.654 -0.979 . . . . 0.0 110.654 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.89 154.7 90.97 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 121.049 -0.261 . . . . 0.0 110.341 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -45.48 137.73 11.07 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 121.633 1.556 . . . . 0.0 111.938 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' GLN . . . . . 0.422 ' HG3' ' H ' ' B' ' 111' ' ' GLY . 69.7 tp60 -135.63 128.16 30.62 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 120.968 0.414 . . . . 0.0 109.921 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' GLU . . . . . 0.534 ' CD ' ' H ' ' B' ' 110' ' ' GLU . 18.2 pm0 -76.92 18.54 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.967 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' GLY . . . . . 0.422 ' H ' ' HG3' ' B' ' 109' ' ' GLN . . . 64.01 55.49 23.92 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ILE . . . . . 0.45 HG23 ' N ' ' B' ' 113' ' ' LEU . 20.4 tt -44.87 -38.49 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.685 0.279 . . . . 0.0 110.813 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.535 HD11 ' OD2' ' B' ' 115' ' ' ASP . 43.3 tp -116.29 113.44 22.98 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -63.88 -40.04 95.6 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.876 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' ASP . . . . . 0.535 ' OD2' HD11 ' B' ' 113' ' ' LEU . 3.5 p30 -82.8 167.64 17.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.391 . . . . 0.0 110.69 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 45.1 ttm -162.73 73.23 2.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.314 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -78.5 85.36 1.85 Allowed 'Trans proline' 0 N--CA 1.491 1.331 0 C-N-CA 122.216 1.944 . . . . 0.0 112.112 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 13.9 p -139.61 146.61 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.07 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 36.0 t0 52.23 71.05 1.58 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.787 0.327 . . . . 0.0 110.528 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.43 143.97 64.02 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 122.817 2.345 . . . . 0.0 112.136 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -150.22 154.08 37.35 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.247 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -67.64 129.81 41.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.566 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -89.45 -0.98 57.88 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.156 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.37 146.13 54.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.168 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 20.6 t80 66.96 4.91 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.734 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -131.33 134.92 46.81 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 120.831 0.348 . . . . 0.0 110.466 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' MET . . . . . . . . . . . . . 48.5 ttp -154.24 58.78 2.25 Favored Pre-proline 0 N--CA 1.464 0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.201 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -70.72 -22.59 27.48 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 122.619 2.213 . . . . 0.0 112.099 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 97.2 p -156.8 162.24 39.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.459 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -78.99 121.59 25.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.007 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -132.91 133.46 43.28 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.251 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 159.51 -174.65 36.4 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -86.06 138.03 32.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.715 0.293 . . . . 0.0 110.431 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -66.82 -24.5 66.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.621 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.34 138.87 58.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.554 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -105.34 -12.34 16.09 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.505 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 44.71 70.45 1.95 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.768 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.03 143.54 92.46 Favored 'Trans proline' 0 N--CA 1.501 1.943 0 C-N-CA 122.915 2.41 . . . . 0.0 112.171 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.25 -39.3 94.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.398 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.447 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.7 mmt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' C' ' 3' ' ' VAL . 96.9 m-20 53.93 40.89 32.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.514 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.548 HG12 ' N ' ' C' ' 4' ' ' PHE . 45.9 t 56.05 162.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.306 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.548 ' N ' HG12 ' C' ' 3' ' ' VAL . 70.0 m-85 -108.99 148.17 31.16 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.212 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 5' ' ' MET . . . . . 0.565 ' N ' ' SD ' ' C' ' 5' ' ' MET . 4.0 mpp? -65.49 -7.54 14.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.283 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -59.59 -37.74 79.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.248 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.36 -179.38 18.55 Favored Glycine 0 N--CA 1.475 1.298 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 58.5 tp -84.45 123.14 29.92 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.825 0.345 . . . . 0.0 110.507 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -104.36 136.44 43.94 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.103 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -134.84 -8.47 2.39 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.949 0.404 . . . . 0.0 110.454 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.71 -94.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt 55.14 68.73 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.141 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -47.19 135.11 10.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.341 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.17 147.5 47.22 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' VAL . . . . . . . . . . . . . 93.4 t -81.4 127.49 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.704 0.288 . . . . 0.0 110.432 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' VAL . . . . . 0.443 ' O ' HG13 ' C' ' 16' ' ' VAL . 12.7 p -111.15 130.88 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.383 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.0 143.36 26.8 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.711 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.57 141.88 53.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.659 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.79 -22.96 66.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.526 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 56.02 -107.22 0.37 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.393 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -134.11 148.31 50.98 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.599 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 85.1 m -88.81 131.25 35.16 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.349 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' C' ' 25' ' ' GLY . 86.6 tttt -66.66 91.09 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.288 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 24' ' ' GLN . . . . . 0.438 ' HG3' ' H ' ' C' ' 26' ' ' VAL . 65.8 tp60 59.83 -74.53 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.318 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 25' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' C' ' 23' ' ' LYS . . . 90.08 -9.73 76.38 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 26' ' ' VAL . . . . . 0.438 ' H ' ' HG3' ' C' ' 24' ' ' GLN . 18.6 t -136.54 108.62 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.85 -10.06 32.45 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.787 0.327 . . . . 0.0 110.656 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 56.05 68.73 0.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.663 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -146.69 165.52 29.35 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.859 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.25 131.06 53.5 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.205 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.04 63.16 4.16 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -64.96 156.87 29.81 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.005 0.431 . . . . 0.0 110.361 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' THR . . . . . 0.424 HG22 ' H ' ' C' ' 33' ' ' THR . 0.0 OUTLIER -65.47 101.18 0.56 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.991 -178.313 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -56.56 141.33 43.47 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.326 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -107.8 119.35 39.21 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.823 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.78 -112.81 0.01 OUTLIER Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' VAL . . . . . 0.413 HG12 ' H ' ' D' ' 37' ' ' VAL . 13.1 m -130.23 148.97 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 mt -117.37 130.66 56.64 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -126.02 116.93 22.21 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 120.734 0.302 . . . . 0.0 110.333 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -132.21 118.4 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.476 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.93 69.67 1.29 Allowed Glycine 0 CA--C 1.531 1.048 0 C-N-CA 120.122 -1.037 . . . . 0.0 111.118 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 61.8 m -137.14 136.19 38.04 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 120.707 0.289 . . . . 0.0 110.44 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' LYS . . . . . 0.46 ' HZ3' ' HG2' ' B' ' 43' ' ' LYS . 70.7 mmtt -118.36 126.57 52.37 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 88.9 m -131.29 126.8 36.31 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.383 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -138.88 135.83 34.89 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.128 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -140.53 115.5 9.73 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.585 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.4 76.7 0.56 Allowed Glycine 0 CA--C 1.522 0.529 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.007 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 96.8 t -140.97 137.57 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 120.724 0.297 . . . . 0.0 110.499 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -135.97 142.29 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 121.22 0.533 . . . . 0.0 110.889 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -144.45 119.14 9.8 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.995 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.43 134.82 8.98 Favored Glycine 0 N--CA 1.476 1.361 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 69.4 t -129.36 125.51 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.05 127.49 40.0 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.599 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 90.6 m -127.26 126.46 42.72 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.295 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 80.9 t -128.45 124.04 61.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.015 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.05 -76.81 0.45 Allowed 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.599 0.238 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -57.46 -163.45 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.808 0.337 . . . . 0.0 110.172 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' LYS . . . . . 0.443 ' CB ' ' O ' ' B' ' 58' ' ' LYS . 44.4 pttt -103.25 158.52 16.26 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.508 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 59' ' ' THR . . . . . . . . . . . . . 77.0 p -81.18 -37.12 29.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.917 0.389 . . . . 0.0 110.139 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 60' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' D' ' 61' ' ' GLU . 33.1 tttp 73.53 67.64 0.1 Allowed 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.557 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 61' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' B' ' 60' ' ' LYS . 94.7 mt-10 -99.71 82.92 2.68 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 122.124 -0.36 . . . . 0.0 110.59 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -73.31 -82.15 0.05 Allowed 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.034 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 63' ' ' VAL . . . . . . . . . . . . . 64.0 t -117.93 121.13 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-O 121.024 0.44 . . . . 0.0 110.878 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 92.6 m -124.17 126.83 46.83 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.077 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -130.52 115.63 17.06 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 120.807 0.337 . . . . 0.0 110.465 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 95.8 t -132.68 130.88 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.99 -58.96 3.07 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.72 -107.35 0.07 OUTLIER Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.67 154.38 47.5 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.976 0.417 . . . . 0.0 110.689 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 p -140.0 131.38 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.206 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 71' ' ' VAL . . . . . 0.422 HG21 ' OG1' ' B' ' 92' ' ' THR . 57.4 t -127.02 123.78 63.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.041 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 74.3 p -126.02 146.37 49.92 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 120.867 0.365 . . . . 0.0 110.819 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.67 -126.76 6.96 Favored Glycine 0 N--CA 1.476 1.33 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.87 130.08 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-O 121.294 0.568 . . . . 0.0 111.189 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 75' ' ' THR . . . . . . . . . . . . . 89.9 m -130.35 128.2 40.95 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.596 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.64 138.61 37.98 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 120.815 0.34 . . . . 0.0 111.265 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 77' ' ' VAL . . . . . 0.413 HG12 HG22 ' B' ' 77' ' ' VAL . 3.1 m -140.14 143.28 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 O-C-N 122.035 -0.415 . . . . 0.0 110.676 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 78' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' B' ' 79' ' ' GLN . . . -115.82 117.67 30.86 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 79' ' ' GLN . . . . . 0.437 ' O ' ' O ' ' D' ' 78' ' ' ALA . 35.8 mt-30 -140.29 161.72 37.0 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -114.36 -61.69 1.71 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -135.48 144.75 46.57 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.01 0.433 . . . . 0.0 110.931 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.68 143.75 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-O 121.023 0.439 . . . . 0.0 110.719 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -146.74 144.09 29.16 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.09 131.43 1.63 Allowed Glycine 0 N--CA 1.467 0.708 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.75 127.39 32.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.874 0.368 . . . . 0.0 110.347 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.38 5.75 68.14 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 30.3 t -80.82 153.04 27.92 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.997 0.427 . . . . 0.0 110.788 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 88' ' ' ILE . . . . . 0.404 HG21 HD13 ' C' ' 88' ' ' ILE . 5.0 pt -125.16 130.45 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.713 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.29 -61.14 1.88 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.817 0.342 . . . . 0.0 110.336 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.39 117.46 17.28 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.082 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.36 121.55 11.51 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.922 0.391 . . . . 0.0 110.774 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 92' ' ' THR . . . . . 0.421 ' OG1' HG21 ' D' ' 71' ' ' VAL . 7.6 p -93.1 106.23 18.22 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.44 92.16 0.53 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -118.57 120.02 36.23 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -142.27 123.66 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-O 121.257 0.551 . . . . 0.0 110.592 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 96' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -123.94 120.82 33.63 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.211 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -101.38 120.77 40.77 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.813 0.34 . . . . 0.0 110.422 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 98' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 52.89 175.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.718 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -149.66 138.48 21.01 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.319 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 100' ' ' LEU . . . . . 0.479 ' N ' ' CG ' ' D' ' 98' ' ' ASP . 60.0 tp -61.38 -44.98 96.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.357 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.44 145.75 49.63 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 35.9 pttt -155.73 -110.54 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 103' ' ' ASN . . . . . . . . . . . . . 64.2 t30 56.37 62.61 2.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 110.598 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 104' ' ' GLU . . . . . 0.426 ' HG2' ' H ' ' C' ' 106' ' ' GLY . 78.5 tt0 -44.81 143.47 1.42 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.339 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 55.0 mp0 -78.77 6.18 9.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.074 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 106' ' ' GLY . . . . . 0.426 ' H ' ' HG2' ' C' ' 104' ' ' GLU . . . 89.07 168.73 44.04 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.82 154.7 91.08 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.4 149.51 69.29 Favored 'Trans proline' 0 N--CA 1.499 1.805 0 C-N-CA 122.232 1.954 . . . . 0.0 111.57 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -91.07 98.39 11.74 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 120.923 0.392 . . . . 0.0 110.559 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 110' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -136.64 -27.4 1.04 Allowed 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.482 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 111' ' ' GLY . . . . . . . . . . . . . . . 95.11 137.21 8.89 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 112' ' ' ILE . . . . . . . . . . . . . 35.0 pt -71.38 -6.62 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.006 0.432 . . . . 0.0 110.67 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.21 -21.19 66.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.017 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 114' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -59.1 -22.27 60.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.793 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 55.8 p-10 -75.53 160.93 29.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.639 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 116' ' ' MET . . . . . . . . . . . . . 65.1 mtt -134.63 65.62 67.44 Favored Pre-proline 0 N--CA 1.47 0.563 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.418 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 117' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.04 -10.45 24.56 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.489 2.126 . . . . 0.0 112.056 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 28.7 m -131.17 150.6 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.576 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 24.1 t70 42.53 71.44 1.4 Allowed Pre-proline 0 N--CA 1.464 0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 120' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -51.68 -39.56 66.29 Favored 'Trans proline' 0 N--CA 1.498 1.748 0 C-N-CA 122.622 2.214 . . . . 0.0 111.82 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 121' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.5 141.56 56.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.336 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 122' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' C' ' 124' ' ' ALA . 52.7 p-10 -155.53 161.61 40.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.345 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 123' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 48.88 11.0 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.391 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 124' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' C' ' 122' ' ' ASN . . . -62.76 -43.06 99.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.822 0.344 . . . . 0.0 110.74 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 125' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -82.0 -25.74 34.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.645 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -76.42 125.23 28.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.748 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 127' ' ' MET . . . . . 0.468 ' N ' ' CD ' ' C' ' 128' ' ' PRO . 11.6 ptp -173.49 51.78 0.12 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.477 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 128' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' C' ' 127' ' ' MET . 58.3 Cg_endo -68.49 -36.08 16.13 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 122.558 2.172 . . . . 0.0 112.193 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 86.1 p -164.45 170.56 15.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.519 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 130' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -135.08 32.26 3.19 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.637 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 45.4 mp0 49.51 63.19 2.26 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.036 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 132' ' ' GLY . . . . . . . . . . . . . . . 91.71 155.89 32.21 Favored Glycine 0 N--CA 1.465 0.616 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 133' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -98.06 138.99 34.54 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.881 0.372 . . . . 0.0 110.6 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 134' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -151.63 143.43 23.73 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.482 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 135' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -82.53 155.65 24.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.691 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 136' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -151.67 148.88 28.47 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.53 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 137' ' ' GLU . . . . . . . . . . . . . 41.1 tp10 -165.71 77.31 1.25 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 138' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -54.61 145.99 56.21 Favored 'Trans proline' 0 N--CA 1.499 1.828 0 C-N-CA 122.674 2.249 . . . . 0.0 111.967 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 139' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -58.23 141.88 49.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.167 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.563 -179.735 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.473 ' H2 ' ' H ' ' D' ' 2' ' ' ASP . 28.8 tpp . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 2' ' ' ASP . . . . . 0.473 ' H ' ' H2 ' ' D' ' 1' ' ' MET . 97.1 m-20 -79.7 -10.92 59.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.846 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.07 -3.94 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-O 120.779 0.324 . . . . 0.0 110.402 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 32.5 t80 64.38 84.06 0.16 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.633 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' MET . . . . . . . . . . . . . 30.7 tpp 65.29 153.87 0.07 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.457 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 64.9 mttp 52.83 46.28 27.06 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.608 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.88 -138.76 2.77 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' LEU . . . . . 0.535 HD22 ' N ' ' D' ' 8' ' ' LEU . 3.8 mm? 56.72 -109.73 0.51 Allowed 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 73.7 m -87.07 -9.48 55.34 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.727 0.298 . . . . 0.0 110.809 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -84.23 124.02 30.75 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -133.6 -77.01 0.48 Allowed 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.005 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -170.06 142.74 2.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.515 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -142.36 135.93 29.11 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.336 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' D' ' 15' ' ' VAL . . . 57.04 -137.04 49.82 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 15' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' D' ' 14' ' ' GLY . 36.3 t 40.99 96.81 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 120.718 0.294 . . . . 0.0 111.196 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 32.0 m -129.46 146.21 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.504 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.92 98.09 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 18' ' ' ALA . . . . . 0.403 ' H ' ' H ' ' D' ' 19' ' ' ALA . . . -176.55 -17.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.521 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 19' ' ' ALA . . . . . 0.403 ' H ' ' H ' ' D' ' 18' ' ' ALA . . . -62.71 141.21 58.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.586 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 60.42 39.21 18.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.354 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -62.46 -26.21 68.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.701 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 95.2 m -88.29 124.75 34.19 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.335 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' D' ' 25' ' ' GLY . 2.3 mptp? -81.8 126.34 31.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.244 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 42.59 -92.85 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.736 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 25' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' D' ' 23' ' ' LYS . . . 175.22 -69.44 0.09 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 14.4 p -150.28 146.0 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 120.751 0.31 . . . . 0.0 110.438 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -126.57 132.78 51.23 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.388 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -79.87 -67.62 0.75 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.587 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . 41.36 65.56 0.81 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.11 131.54 49.02 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.781 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.06 63.22 4.12 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -64.9 156.79 29.86 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.415 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 33' ' ' THR . . . . . 0.433 ' H ' HG22 ' D' ' 33' ' ' THR . 0.0 OUTLIER -65.41 101.16 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.974 -178.3 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -56.61 141.38 43.53 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.373 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 35' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -107.93 119.29 39.05 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.844 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.72 -112.97 0.01 OUTLIER Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 37' ' ' VAL . . . . . 0.413 ' H ' HG12 ' C' ' 37' ' ' VAL . 13.3 m -130.09 148.97 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 20.1 mt -117.27 130.5 56.6 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -125.97 116.94 22.25 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 120.68 0.276 . . . . 0.0 110.406 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 58.8 t -132.04 118.73 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.452 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.49 70.01 1.2 Allowed Glycine 0 CA--C 1.532 1.115 0 C-N-CA 120.147 -1.025 . . . . 0.0 111.084 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 63.3 m -137.29 136.17 37.79 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.697 0.284 . . . . 0.0 110.465 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 43' ' ' LYS . . . . . 0.436 ' HZ3' ' HG2' ' C' ' 43' ' ' LYS . 70.6 mmtt -118.17 126.69 52.72 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 89.6 m -131.59 126.72 35.5 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.21 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -138.8 135.67 34.86 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.133 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -140.41 115.75 9.97 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.516 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.33 76.87 0.55 Allowed Glycine 0 CA--C 1.523 0.533 0 C-N-CA 120.433 -0.889 . . . . 0.0 111.003 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 48' ' ' VAL . . . . . . . . . . . . . 96.5 t -141.23 137.53 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 120.651 0.262 . . . . 0.0 110.529 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.03 142.56 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-O 121.289 0.566 . . . . 0.0 110.843 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 50' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -144.49 119.3 9.88 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.973 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.6 134.99 9.0 Favored Glycine 0 N--CA 1.476 1.337 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 52' ' ' VAL . . . . . . . . . . . . . 69.2 t -129.53 125.53 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.03 127.42 39.91 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.641 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 54' ' ' THR . . . . . . . . . . . . . 91.0 m -127.27 126.48 42.74 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.231 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 83.3 t -128.38 123.97 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.063 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.89 -77.24 0.43 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.82 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -57.35 -163.78 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.237 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 58' ' ' LYS . . . . . 0.451 ' O ' ' CB ' ' E' ' 58' ' ' LYS . 44.4 pttt -102.84 158.44 16.26 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.527 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 59' ' ' THR . . . . . . . . . . . . . 75.5 p -81.15 -37.02 29.5 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.892 0.377 . . . . 0.0 110.176 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 60' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' E' ' 61' ' ' GLU . 33.0 tttp 73.6 67.44 0.1 Allowed 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.499 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 61' ' ' GLU . . . . . 0.456 ' O ' ' O ' ' C' ' 60' ' ' LYS . 94.9 mt-10 -99.69 82.85 2.67 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 120.8 0.334 . . . . 0.0 110.652 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -73.2 -82.32 0.05 Allowed 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.996 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 63' ' ' VAL . . . . . . . . . . . . . 65.2 t -117.65 121.08 66.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-O 120.975 0.417 . . . . 0.0 110.847 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 91.8 m -124.06 126.79 46.85 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.172 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 65' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -130.36 115.54 17.04 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.873 0.368 . . . . 0.0 110.524 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 94.6 t -132.72 130.88 59.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.8 -59.14 3.07 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.79 -107.28 0.08 OUTLIER Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.59 154.43 47.6 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.974 0.416 . . . . 0.0 110.704 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.15 131.47 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-O 121.212 0.53 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 71' ' ' VAL . . . . . 0.421 HG21 ' OG1' ' C' ' 92' ' ' THR . 58.0 t -127.02 123.75 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.134 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 74.4 p -126.07 146.27 49.98 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 120.936 0.398 . . . . 0.0 110.815 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.75 -126.67 6.92 Favored Glycine 0 N--CA 1.476 1.317 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.81 130.06 30.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 121.257 0.551 . . . . 0.0 111.28 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 75' ' ' THR . . . . . . . . . . . . . 88.8 m -130.29 128.28 41.22 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.69 138.6 37.9 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 120.763 0.316 . . . . 0.0 111.307 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 77' ' ' VAL . . . . . 0.407 HG12 HG22 ' C' ' 77' ' ' VAL . 3.1 m -140.05 143.1 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 122.011 -0.431 . . . . 0.0 110.736 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 78' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' C' ' 79' ' ' GLN . . . -115.65 117.66 30.91 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.592 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 79' ' ' GLN . . . . . 0.437 ' O ' ' O ' ' E' ' 78' ' ' ALA . 35.7 mt-30 -140.36 161.53 37.48 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -114.24 -61.54 1.73 Allowed 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -135.56 144.92 46.49 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.943 0.401 . . . . 0.0 110.95 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.77 143.66 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 121.008 0.433 . . . . 0.0 110.747 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -146.67 144.2 29.31 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.956 0.407 . . . . 0.0 110.918 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.92 131.5 1.65 Allowed Glycine 0 N--CA 1.466 0.633 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.7 127.47 32.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.825 0.345 . . . . 0.0 110.377 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.2 5.83 67.4 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 30.6 t -80.83 153.01 27.92 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.013 0.435 . . . . 0.0 110.781 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 88' ' ' ILE . . . . . . . . . . . . . 4.9 pt -125.12 130.65 73.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.695 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.48 -61.06 1.89 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.737 0.303 . . . . 0.0 110.308 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.38 117.41 17.24 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.093 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.31 121.62 11.6 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.9 0.381 . . . . 0.0 110.784 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 92' ' ' THR . . . . . 0.424 ' OG1' HG21 ' E' ' 71' ' ' VAL . 8.0 p -93.11 106.27 18.25 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.4 92.29 0.52 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 94' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -118.6 120.01 36.2 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -142.12 123.58 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 121.272 0.558 . . . . 0.0 110.604 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 96' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -123.57 120.79 33.86 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.338 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 97' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -105.67 92.04 4.01 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.111 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 98' ' ' ASP . . . . . 0.479 ' CG ' ' N ' ' C' ' 100' ' ' LEU . 8.9 t0 -80.79 -38.46 28.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.363 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 99' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 58.89 -165.24 0.19 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.4 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 100' ' ' LEU . . . . . 0.62 HD23 ' N ' ' D' ' 100' ' ' LEU . 0.7 OUTLIER -158.72 -178.19 7.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.857 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.76 111.72 1.59 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 102' ' ' LYS . . . . . 0.513 ' NZ ' ' O ' ' E' ' 101' ' ' GLY . 68.7 mttm -120.04 105.37 10.97 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 120.81 0.338 . . . . 0.0 110.306 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 103' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -94.15 -11.94 29.39 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.641 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 104' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.5 -43.76 96.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.232 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 105' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.25 -41.3 99.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.385 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 106' ' ' GLY . . . . . . . . . . . . . . . 64.01 -144.19 48.47 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.31 154.45 93.67 Favored Pre-proline 0 CA--C 1.54 0.587 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.8 156.39 60.7 Favored 'Trans proline' 0 N--CA 1.501 1.943 0 C-N-CA 122.433 2.089 . . . . 0.0 111.854 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 109' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -148.42 -67.1 0.24 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.858 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 110' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -95.82 47.62 1.11 Allowed 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.208 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.32 -41.17 91.7 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 121.298 -0.477 . . . . 0.0 111.971 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 112' ' ' ILE . . . . . . . . . . . . . 77.9 mt 43.21 78.88 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 120.955 0.407 . . . . 0.0 110.642 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.556 HD12 ' N ' ' D' ' 113' ' ' LEU . 10.4 mp -81.33 147.74 29.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.087 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 114' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -65.84 116.01 6.56 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.205 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 115' ' ' ASP . . . . . . . . . . . . . 55.2 p30 -83.15 -179.24 7.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.484 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 116' ' ' MET . . . . . . . . . . . . . 77.8 mtm -70.4 151.7 95.64 Favored Pre-proline 0 CA--C 1.538 0.488 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.556 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 117' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -43.45 110.92 0.2 Allowed 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 121.966 1.778 . . . . 0.0 112.721 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 118' ' ' VAL . . . . . . . . . . . . . 55.1 t -136.82 122.95 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.109 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 42.73 66.69 4.11 Favored Pre-proline 0 N--CA 1.463 0.184 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.934 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 120' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -52.79 130.37 36.98 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 122.439 2.093 . . . . 0.0 112.269 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 121' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -95.63 -9.21 32.72 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.34 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 122' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -92.93 74.39 4.81 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.479 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 123' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.09 -43.85 97.94 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.459 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 124' ' ' ALA . . . . . . . . . . . . . . . -93.85 149.97 20.78 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.687 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 125' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -59.61 -48.57 81.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.476 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 126' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -72.34 142.47 48.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.164 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 127' ' ' MET . . . . . . . . . . . . . 77.7 mtm -70.73 150.07 95.28 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.458 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 128' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -70.7 151.31 63.59 Favored 'Trans proline' 0 N--CA 1.499 1.825 0 C-N-CA 122.36 2.04 . . . . 0.0 111.835 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 129' ' ' SER . . . . . . . . . . . . . 40.3 t -65.4 136.64 56.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.588 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 130' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.24 -39.64 94.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.625 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 131' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.37 135.59 57.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.492 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . -148.56 -74.67 0.02 OUTLIER Glycine 0 N--CA 1.465 0.596 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 133' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -147.98 108.59 4.16 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.828 0.347 . . . . 0.0 110.489 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 134' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -163.58 144.94 9.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.513 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 135' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -170.84 23.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.961 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 136' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -132.96 14.08 4.29 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.37 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 137' ' ' GLU . . . . . 0.587 ' N ' ' CD ' ' D' ' 138' ' ' PRO . 5.6 mt-10 -77.91 -38.75 1.74 Allowed Pre-proline 0 CA--C 1.542 0.648 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.443 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 138' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' D' ' 137' ' ' GLU . 92.5 Cg_endo -87.93 -68.27 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.305 0 C-N-CA 122.439 2.093 . . . . 0.0 112.505 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 139' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 49.01 30.22 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 0.0 110.342 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.634 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 73.3 mmm . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 2' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -81.91 108.15 15.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.366 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 72.8 t -61.27 -45.61 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.406 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.441 ' CG ' HD21 ' E' ' 8' ' ' LEU . 98.3 m-85 -105.27 112.96 26.27 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.896 0.379 . . . . 0.0 110.594 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 5' ' ' MET . . . . . . . . . . . . . 63.0 mtt -66.3 -34.65 78.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.415 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.5 -26.71 67.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.476 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.32 15.63 76.06 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 8' ' ' LEU . . . . . 0.441 HD21 ' CG ' ' E' ' 4' ' ' PHE . 22.8 mt 56.36 41.97 28.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.928 0.394 . . . . 0.0 110.166 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 72.5 p -87.09 31.01 0.73 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.408 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 10' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -63.37 -14.29 48.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.307 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.26 84.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.103 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -89.06 149.87 23.02 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.235 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 13' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -148.19 10.71 0.89 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.668 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.94 143.31 10.28 Favored Glycine 0 N--CA 1.466 0.672 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 15' ' ' VAL . . . . . . . . . . . . . 73.5 t -129.5 124.74 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-O 120.717 0.294 . . . . 0.0 110.244 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 16.3 m -105.14 -20.55 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.25 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 17' ' ' ALA . . . . . . . . . . . . . . . -161.18 153.35 19.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.473 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.75 -140.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.402 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.86 136.86 57.06 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 20' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -84.65 119.36 25.14 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.47 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 21' ' ' LYS . . . . . 0.411 ' C ' ' N ' ' E' ' 23' ' ' LYS . 65.1 tttp -159.51 109.4 1.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.221 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 22' ' ' THR . . . . . . . . . . . . . 43.1 p 45.26 20.77 0.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.846 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 23' ' ' LYS . . . . . 0.411 ' N ' ' C ' ' E' ' 21' ' ' LYS . 37.7 ttmt -86.21 100.04 11.96 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.793 0.33 . . . . 0.0 110.62 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -65.66 -41.69 92.23 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.555 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.74 65.38 3.48 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 26' ' ' VAL . . . . . . . . . . . . . 62.5 t -74.13 -90.1 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.134 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 27' ' ' ALA . . . . . . . . . . . . . . . 40.76 52.27 3.15 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.131 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 28' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -142.94 127.71 18.19 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.756 0.313 . . . . 0.0 110.57 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 29' ' ' ALA . . . . . . . . . . . . . . . 42.05 79.21 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.123 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.32 131.71 46.98 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.575 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.14 63.09 4.19 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 32' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -64.78 156.79 29.47 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.418 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 33' ' ' THR . . . . . 0.433 ' H ' HG22 ' E' ' 33' ' ' THR . 0.0 OUTLIER -65.49 101.13 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.035 -178.262 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 34' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -56.59 141.6 42.62 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.312 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 35' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -108.11 119.29 39.06 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.782 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.8 -113.04 0.01 OUTLIER Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.346 -1.101 . . . . 0.0 110.346 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 37' ' ' VAL . . . . . 0.409 ' H ' HG12 ' D' ' 37' ' ' VAL . 13.1 m -130.06 148.88 33.16 Favored 'Isoleucine or valine' 0 C--O 1.241 0.638 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 38' ' ' LEU . . . . . . . . . . . . . 20.1 mt -117.12 130.39 56.6 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 39' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -125.93 117.0 22.37 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 120.697 0.284 . . . . 0.0 110.327 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 60.5 t -131.91 118.83 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.487 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.19 70.13 1.17 Allowed Glycine 0 CA--C 1.528 0.896 0 C-N-CA 120.142 -1.027 . . . . 0.0 111.164 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 64.3 m -137.27 136.1 37.74 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-O 120.701 0.286 . . . . 0.0 110.474 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 43' ' ' LYS . . . . . 0.409 ' HZ3' ' HG2' ' D' ' 43' ' ' LYS . 70.5 mmtt -117.99 126.66 52.74 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 44' ' ' THR . . . . . . . . . . . . . 88.7 m -131.71 126.56 34.84 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 120.794 0.33 . . . . 0.0 110.335 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 45' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -138.72 135.59 34.92 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.176 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -140.28 115.87 10.12 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.471 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.3 77.19 0.53 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 48' ' ' VAL . . . . . . . . . . . . . 96.9 t -141.61 137.6 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 120.785 0.326 . . . . 0.0 110.486 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.1 142.67 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 121.237 0.542 . . . . 0.0 110.858 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 50' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -144.46 119.42 9.99 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.049 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.64 135.14 9.06 Favored Glycine 0 N--CA 1.476 1.313 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 52' ' ' VAL . . . . . . . . . . . . . 73.0 t -129.64 125.54 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.04 127.46 39.98 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.67 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 54' ' ' THR . . . . . . . . . . . . . 91.6 m -127.26 126.43 42.67 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.234 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 55' ' ' VAL . . . . . . . . . . . . . 83.8 t -128.34 123.84 60.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.049 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.68 -77.6 0.42 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.779 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -57.19 -163.89 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 120.764 0.316 . . . . 0.0 110.283 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 58' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' F' ' 58' ' ' LYS . 44.6 pttt -102.72 158.44 16.25 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.583 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 59' ' ' THR . . . . . . . . . . . . . 77.1 p -81.16 -36.88 29.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.892 0.377 . . . . 0.0 110.262 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 60' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' F' ' 61' ' ' GLU . 32.8 tttp 73.63 67.25 0.1 Allowed 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.558 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 61' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' D' ' 60' ' ' LYS . 95.1 mt-10 -99.71 82.51 2.62 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 120.814 0.34 . . . . 0.0 110.663 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -72.82 -82.57 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.03 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 63' ' ' VAL . . . . . . . . . . . . . 66.5 t -117.45 121.07 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-O 120.937 0.398 . . . . 0.0 110.842 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 90.7 m -123.91 126.73 46.88 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.223 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 65' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -130.32 115.46 16.95 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.838 0.351 . . . . 0.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 66' ' ' VAL . . . . . . . . . . . . . 93.3 t -132.78 130.8 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.54 -59.16 3.12 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.91 -107.36 0.08 OUTLIER Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.45 154.44 47.75 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.858 0.361 . . . . 0.0 110.633 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.24 131.54 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 CA-C-O 121.213 0.53 . . . . 0.0 111.072 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 71' ' ' VAL . . . . . 0.424 HG21 ' OG1' ' D' ' 92' ' ' THR . 58.2 t -127.09 123.84 63.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.017 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 72' ' ' THR . . . . . . . . . . . . . 70.3 p -126.0 146.28 49.95 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 120.913 0.387 . . . . 0.0 110.856 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.64 -126.67 6.93 Favored Glycine 0 N--CA 1.475 1.246 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.84 130.11 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 121.252 0.549 . . . . 0.0 111.295 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 75' ' ' THR . . . . . . . . . . . . . 88.7 m -130.29 128.37 41.41 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.611 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.72 138.79 38.02 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-O 120.804 0.335 . . . . 0.0 111.175 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 77' ' ' VAL . . . . . 0.404 HG12 HG22 ' D' ' 77' ' ' VAL . 3.1 m -140.17 142.93 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 O-C-N 121.955 -0.466 . . . . 0.0 110.731 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 78' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' D' ' 79' ' ' GLN . . . -115.45 117.62 30.88 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 79' ' ' GLN . . . . . 0.439 ' O ' ' O ' ' F' ' 78' ' ' ALA . 35.5 mt-30 -140.41 161.35 37.92 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 80' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -114.07 -61.28 1.77 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -135.86 144.93 45.88 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.995 0.426 . . . . 0.0 110.889 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.67 143.67 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-O 121.032 0.444 . . . . 0.0 110.719 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -146.65 144.11 29.26 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.007 0.432 . . . . 0.0 110.932 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.93 131.37 1.63 Allowed Glycine 0 N--CA 1.465 0.624 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.58 127.57 32.94 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.418 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.2 5.88 67.55 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 30.4 t -80.94 153.02 27.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.001 0.429 . . . . 0.0 110.774 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 88' ' ' ILE . . . . . . . . . . . . . 4.8 pt -125.12 130.44 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.756 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.33 -60.95 1.93 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.746 0.308 . . . . 0.0 110.332 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.44 117.5 17.28 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.114 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.4 121.65 11.56 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.963 0.411 . . . . 0.0 110.827 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 92' ' ' THR . . . . . 0.425 ' OG1' HG21 ' F' ' 71' ' ' VAL . 8.5 p -92.99 106.17 18.16 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.37 92.45 0.52 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -118.7 119.91 35.86 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -141.98 123.46 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-O 121.271 0.557 . . . . 0.0 110.617 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 96' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -123.89 121.38 35.18 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.052 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 97' ' ' LYS . . . . . 0.498 ' NZ ' ' CG ' ' E' ' 99' ' ' GLN . 58.1 tttm -122.6 127.53 49.53 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.315 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -128.22 101.1 6.1 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 120.742 0.306 . . . . 0.0 111.502 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 99' ' ' GLN . . . . . 0.498 ' CG ' ' NZ ' ' E' ' 97' ' ' LYS . 68.7 mt-30 -73.52 -40.48 63.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.033 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 100' ' ' LEU . . . . . . . . . . . . . 44.0 tp -133.19 126.16 31.0 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.903 0.382 . . . . 0.0 110.199 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 101' ' ' GLY . . . . . 0.513 ' O ' ' NZ ' ' D' ' 102' ' ' LYS . . . -170.67 169.37 42.32 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 102' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -156.71 150.26 24.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.831 0.348 . . . . 0.0 110.716 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 103' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -105.34 139.7 39.58 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.601 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 104' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' E' ' 106' ' ' GLY . 99.0 mt-10 -78.71 50.82 1.02 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.442 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 105' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 53.43 10.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 106' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' E' ' 104' ' ' GLU . . . 64.41 30.93 79.21 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.576 -1.009 . . . . 0.0 110.576 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.37 153.15 83.29 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 108' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.98 152.52 73.31 Favored 'Trans proline' 0 N--CA 1.499 1.821 0 C-N-CA 122.333 2.022 . . . . 0.0 111.921 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 109' ' ' GLN . . . . . 0.474 ' CD ' ' H ' ' E' ' 109' ' ' GLN . 24.4 mp0 -71.09 147.85 48.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.443 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 110' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -62.07 -42.69 99.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.537 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 111' ' ' GLY . . . . . . . . . . . . . . . 45.73 55.39 7.19 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 112' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.95 -47.49 91.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.309 . . . . 0.0 110.406 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 113' ' ' LEU . . . . . . . . . . . . . 32.6 mt 44.48 53.77 6.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.831 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 114' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -57.47 135.72 56.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.684 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 115' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -121.26 9.8 10.49 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 116' ' ' MET . . . . . . . . . . . . . 47.0 ttm -137.21 71.23 54.59 Favored Pre-proline 0 N--CA 1.474 0.759 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.545 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 117' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -75.35 149.91 35.96 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.991 1.794 . . . . 0.0 112.027 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 118' ' ' VAL . . . . . . . . . . . . . 91.7 t -115.33 118.04 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.386 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 119' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' E' ' 119' ' ' ASP . 18.5 p-10 -154.97 69.5 5.65 Favored Pre-proline 0 N--CA 1.465 0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.745 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 120' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -78.64 -160.34 0.12 Allowed 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.532 2.155 . . . . 0.0 111.933 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 121' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -57.63 -37.87 74.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.603 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 122' ' ' ASN . . . . . . . . . . . . . 65.3 t30 58.64 45.81 15.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.75 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 123' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -67.01 139.82 57.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.061 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.01 116.14 3.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.917 0.389 . . . . 0.0 110.689 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 125' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -61.4 -46.67 89.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.69 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 126' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -54.08 142.8 24.1 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.773 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 127' ' ' MET . . . . . . . . . . . . . 59.7 ttp -146.42 73.55 12.9 Favored Pre-proline 0 N--CA 1.464 0.27 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.497 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 128' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -54.86 138.71 77.81 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 122.586 2.191 . . . . 0.0 111.857 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 129' ' ' SER . . . . . . . . . . . . . 67.4 m -69.59 142.14 53.6 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.354 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 130' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -134.31 139.88 46.0 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.527 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 131' ' ' GLU . . . . . 0.55 ' CD ' ' H ' ' E' ' 131' ' ' GLU . 16.3 pm0 -74.66 147.81 41.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.599 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 132' ' ' GLY . . . . . . . . . . . . . . . 157.19 -126.22 1.71 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 133' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -63.48 -36.72 84.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.582 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 134' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -70.07 152.39 44.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.662 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 135' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 57.86 -148.52 0.48 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.657 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 136' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -96.41 147.33 23.93 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.163 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 137' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -139.47 60.27 16.23 Favored Pre-proline 0 N--CA 1.473 0.708 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.695 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 138' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.3 -32.97 9.68 Favored 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 122.547 2.165 . . . . 0.0 112.214 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 139' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.72 -42.95 94.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.492 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.566 179.804 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 60.6 mtt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 2' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' F' ' 4' ' ' PHE . 98.4 m-20 -61.48 -39.37 90.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.326 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 92.4 t 46.69 -88.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.666 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 4' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' F' ' 2' ' ' ASP . 80.4 t80 -114.75 120.04 38.72 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 120.802 0.334 . . . . 0.0 110.458 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 5' ' ' MET . . . . . 0.4 ' O ' ' CE2' ' F' ' 4' ' ' PHE . 87.6 mmm -76.91 156.83 31.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.335 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 6' ' ' LYS . . . . . 0.465 ' NZ ' ' CB ' ' F' ' 6' ' ' LYS . 1.5 ttmp? 71.05 -133.55 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.81 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.96 26.39 71.22 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 8' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.0 125.38 23.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.863 0.363 . . . . 0.0 110.282 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -164.49 36.47 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.48 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 10' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.54 -13.42 58.9 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.413 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.04 76.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -62.97 130.0 42.81 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.193 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 13' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -88.85 137.19 32.54 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.372 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.48 -0.21 11.22 Favored Glycine 0 N--CA 1.475 1.258 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 15' ' ' VAL . . . . . . . . . . . . . 23.9 m -133.62 149.34 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-O 120.861 0.363 . . . . 0.0 110.931 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 16' ' ' VAL . . . . . 0.423 HG13 ' N ' ' F' ' 17' ' ' ALA . 11.4 p -78.94 -36.35 18.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.645 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 17' ' ' ALA . . . . . 0.423 ' N ' HG13 ' F' ' 16' ' ' VAL . . . 54.82 -102.65 0.15 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.411 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.33 27.45 0.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.333 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.0 65.27 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.635 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 20' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -149.87 125.86 10.56 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.253 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 21' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -85.82 150.06 24.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.333 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 22' ' ' THR . . . . . . . . . . . . . 69.5 p -106.61 149.19 27.45 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 120.789 0.328 . . . . 0.0 110.144 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 23' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -81.78 146.21 30.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.466 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 24' ' ' GLN . . . . . 0.443 ' N ' ' CD ' ' F' ' 24' ' ' GLN . 4.3 mp0 -73.03 130.76 41.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.895 0.378 . . . . 0.0 110.338 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.44 -169.92 43.31 Favored Glycine 0 N--CA 1.464 0.563 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 26' ' ' VAL . . . . . . . . . . . . . 27.1 m -81.29 -0.07 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.724 0.297 . . . . 0.0 110.43 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.62 -123.19 0.66 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.949 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 28' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -81.55 127.9 33.34 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.715 0.293 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.85 127.98 6.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.966 0.412 . . . . 0.0 110.748 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.43 131.72 40.28 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.44 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.49 62.89 4.26 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 32' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -64.45 156.67 28.75 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.515 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 33' ' ' THR . . . . . 0.459 ' H ' HG22 ' F' ' 33' ' ' THR . 0.0 OUTLIER -65.66 101.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.049 -178.209 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -56.53 141.55 42.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.339 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 35' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -108.1 119.35 39.22 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.757 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.8 -112.97 0.01 OUTLIER Glycine 0 CA--C 1.521 0.463 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 37' ' ' VAL . . . . . 0.405 ' H ' HG12 ' E' ' 37' ' ' VAL . 13.3 m -130.01 148.81 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 38' ' ' LEU . . . . . . . . . . . . . 19.9 mt -117.01 130.21 56.53 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 39' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -125.94 116.9 22.21 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 120.672 0.272 . . . . 0.0 110.313 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.65 118.9 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.532 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.05 70.36 1.11 Allowed Glycine 0 CA--C 1.528 0.878 0 C-N-CA 120.081 -1.056 . . . . 0.0 111.067 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 64.1 m -137.35 136.14 37.65 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 120.741 0.305 . . . . 0.0 110.478 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 43' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -117.92 126.62 52.71 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.883 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 44' ' ' THR . . . . . . . . . . . . . 89.3 m -131.9 126.57 34.48 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.84 0.353 . . . . 0.0 110.278 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 45' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -138.63 135.55 35.02 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.2 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -140.36 115.93 10.12 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.505 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.35 77.31 0.52 Allowed Glycine 0 CA--C 1.523 0.555 0 C-N-CA 120.361 -0.923 . . . . 0.0 110.959 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 48' ' ' VAL . . . . . . . . . . . . . 97.9 t -141.86 137.44 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-O 120.616 0.246 . . . . 0.0 110.636 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.07 142.75 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-O 121.166 0.507 . . . . 0.0 110.856 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 50' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -144.42 119.46 10.03 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.142 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.7 135.14 9.05 Favored Glycine 0 N--CA 1.475 1.299 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 52' ' ' VAL . . . . . . . . . . . . . 73.5 t -129.58 125.52 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.0 127.47 40.07 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.656 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 54' ' ' THR . . . . . . . . . . . . . 91.9 m -127.32 126.41 42.54 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.229 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 55' ' ' VAL . . . . . . . . . . . . . 82.3 t -128.22 123.4 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.172 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.17 -77.95 0.4 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -57.13 -163.84 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.777 0.323 . . . . 0.0 110.252 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 58' ' ' LYS . . . . . 0.459 ' O ' ' CB ' ' G' ' 58' ' ' LYS . 44.5 pttt -102.84 158.39 16.3 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.525 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 59' ' ' THR . . . . . . . . . . . . . 77.8 p -81.14 -36.74 29.86 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.032 0.444 . . . . 0.0 110.262 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 60' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' G' ' 61' ' ' GLU . 32.7 tttp 73.66 67.04 0.1 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.67 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 61' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' E' ' 60' ' ' LYS . 95.2 mt-10 -99.69 82.26 2.59 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 120.872 0.368 . . . . 0.0 110.672 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -72.42 -82.81 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.077 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 63' ' ' VAL . . . . . . . . . . . . . 68.0 t -117.22 121.17 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-O 120.998 0.428 . . . . 0.0 110.791 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 91.0 m -124.01 126.78 46.88 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.17 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 65' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -130.33 115.28 16.69 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.563 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 66' ' ' VAL . . . . . . . . . . . . . 93.4 t -132.75 130.79 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-O 120.794 0.331 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.32 -59.35 3.12 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.82 -107.38 0.08 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.43 154.56 47.81 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 120.896 0.379 . . . . 0.0 110.684 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.41 131.7 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-O 121.352 0.596 . . . . 0.0 111.032 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 71' ' ' VAL . . . . . 0.425 HG21 ' OG1' ' E' ' 92' ' ' THR . 58.4 t -127.19 123.87 63.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.983 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 72' ' ' THR . . . . . . . . . . . . . 72.3 p -126.02 146.27 49.96 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.91 0.386 . . . . 0.0 110.9 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.68 -126.61 6.9 Favored Glycine 0 N--CA 1.476 1.338 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.84 130.17 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-O 121.331 0.586 . . . . 0.0 111.23 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 75' ' ' THR . . . . . . . . . . . . . 89.2 m -130.4 128.26 41.01 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.65 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.64 139.0 38.35 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 120.766 0.317 . . . . 0.0 111.179 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 m -140.19 143.02 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.719 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 78' ' ' ALA . . . . . 0.439 ' O ' ' O ' ' E' ' 79' ' ' GLN . . . -115.41 117.6 30.86 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 79' ' ' GLN . . . . . 0.442 ' O ' ' O ' ' G' ' 78' ' ' ALA . 35.3 mt-30 -140.47 161.25 38.18 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 80' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -114.1 -61.1 1.79 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -136.09 144.98 45.44 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.981 0.42 . . . . 0.0 110.961 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.66 143.63 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-O 121.014 0.435 . . . . 0.0 110.787 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -146.5 144.01 29.34 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.97 0.414 . . . . 0.0 110.999 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.9 131.48 1.65 Allowed Glycine 0 N--CA 1.466 0.669 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.63 127.61 33.07 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.357 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.26 5.84 67.74 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 31.4 t -80.87 153.03 27.86 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.989 0.423 . . . . 0.0 110.815 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 88' ' ' ILE . . . . . . . . . . . . . 4.8 pt -125.25 130.4 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.27 -60.81 1.97 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.822 0.344 . . . . 0.0 110.322 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.63 117.5 17.1 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.112 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.31 121.66 11.63 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.857 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 92' ' ' THR . . . . . 0.42 ' OG1' HG21 ' G' ' 71' ' ' VAL . 8.9 p -92.96 106.23 18.23 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.32 92.62 0.51 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.591 -1.003 . . . . 0.0 110.591 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 94' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -118.75 120.01 36.12 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -141.93 123.45 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-O 121.281 0.562 . . . . 0.0 110.628 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 96' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -124.05 123.97 41.51 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.233 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 97' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -112.18 124.05 51.6 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 98' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' G' ' 98' ' ' ASP . 20.4 t0 58.17 169.81 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.168 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 99' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -150.05 147.93 28.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.918 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 100' ' ' LEU . . . . . 0.47 HD23 ' C ' ' F' ' 100' ' ' LEU . 2.4 tt -72.32 -60.15 2.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.915 0.388 . . . . 0.0 110.106 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.94 -164.24 25.82 Favored Glycine 0 N--CA 1.468 0.807 0 N-CA-C 110.611 -0.995 . . . . 0.0 110.611 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 102' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -142.53 132.98 25.01 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.87 0.367 . . . . 0.0 110.157 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 103' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -140.78 127.47 20.29 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.179 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 104' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -85.35 1.42 48.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.346 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 105' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 57.12 57.48 4.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.408 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.6 -38.99 94.5 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.68 151.55 96.41 Favored Pre-proline 0 CA--C 1.539 0.519 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 108' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.69 100.98 1.11 Allowed 'Trans proline' 0 N--CA 1.497 1.687 0 C-N-CA 122.143 1.895 . . . . 0.0 111.879 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 109' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -63.71 -39.99 95.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.473 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 110' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -125.47 150.56 47.24 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.263 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 111' ' ' GLY . . . . . . . . . . . . . . . -137.76 153.5 22.18 Favored Glycine 0 N--CA 1.471 1.031 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 112' ' ' ILE . . . . . . . . . . . . . 3.3 mp -108.55 97.27 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-O 120.854 0.359 . . . . 0.0 110.54 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 113' ' ' LEU . . . . . . . . . . . . . 26.1 mt 41.83 82.21 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.017 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 114' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -83.18 118.02 23.32 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.949 0.405 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 115' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.05 -38.95 93.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.967 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 116' ' ' MET . . . . . . . . . . . . . 65.3 mtt -129.57 77.79 76.58 Favored Pre-proline 0 N--CA 1.476 0.83 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.909 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 117' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.28 139.6 81.22 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 122.558 2.172 . . . . 0.0 112.126 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 118' ' ' VAL . . . . . . . . . . . . . 13.7 p -147.74 136.55 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.104 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 119' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -70.41 151.18 95.72 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.375 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 120' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -41.02 -47.43 4.99 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 121.892 1.728 . . . . 0.0 112.326 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 121' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' F' ' 123' ' ' GLU . 59.4 p30 -162.55 -168.49 1.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.499 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 122' ' ' ASN . . . . . . . . . . . . . 40.1 t30 55.97 -81.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.721 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 123' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' F' ' 121' ' ' ASP . 84.2 tt0 52.8 68.15 0.88 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.319 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 124' ' ' ALA . . . . . . . . . . . . . . . -92.9 121.99 34.82 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.741 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 125' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -87.53 157.24 19.21 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.653 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 126' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -142.8 157.41 44.65 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.87 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 127' ' ' MET . . . . . . . . . . . . . 81.3 mmm -134.61 150.92 74.96 Favored Pre-proline 0 N--CA 1.477 0.88 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.232 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 128' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -70.08 146.96 59.73 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 121.936 1.757 . . . . 0.0 111.848 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 129' ' ' SER . . . . . . . . . . . . . 22.7 t -165.68 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 130' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -135.87 132.77 36.99 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.334 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 131' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -85.07 145.66 27.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.202 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 132' ' ' GLY . . . . . . . . . . . . . . . -64.38 138.84 41.17 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 133' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -71.05 -29.28 65.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.814 0.34 . . . . 0.0 110.416 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 134' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -58.92 104.24 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.472 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 135' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' F' ' 136' ' ' TYR . 65.3 t0 -173.34 -114.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.352 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 136' ' ' TYR . . . . . 0.415 ' N ' ' OD1' ' F' ' 135' ' ' ASP . 23.3 t80 -80.3 168.61 18.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.228 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 137' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -130.44 76.99 76.8 Favored Pre-proline 0 N--CA 1.472 0.628 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.279 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 138' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -83.33 80.21 2.64 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.605 2.204 . . . . 0.0 111.995 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 139' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -61.87 -39.48 92.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.582 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.49 -179.768 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 1' ' ' MET . . . . . . . . . . . . . 13.7 tpt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 2' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' G' ' 3' ' ' VAL . 40.5 p-10 -67.85 -38.41 83.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.022 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.516 ' N ' ' OD1' ' G' ' 2' ' ' ASP . 31.6 m -61.57 -24.34 33.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.718 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -61.9 -41.01 97.41 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.245 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 5' ' ' MET . . . . . . . . . . . . . 78.9 mtm 54.59 49.05 19.0 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 58.3 mttp 49.21 -147.75 0.29 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.243 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 7' ' ' GLY . . . . . 0.45 ' C ' ' N ' ' G' ' 9' ' ' SER . . . -160.97 158.5 30.1 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 8' ' ' LEU . . . . . 0.517 ' N ' HD12 ' G' ' 8' ' ' LEU . 10.9 mp 45.53 19.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.208 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 9' ' ' SER . . . . . 0.45 ' N ' ' C ' ' G' ' 7' ' ' GLY . 69.5 m -149.97 26.72 0.8 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.601 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 10' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -61.41 -43.07 99.51 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.305 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 11' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' G' ' 13' ' ' GLU . . . -64.78 -40.42 95.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.682 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 pttp 33.76 33.39 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.422 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 13' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' G' ' 11' ' ' ALA . 30.5 tt0 -156.33 -119.32 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.258 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 14' ' ' GLY . . . . . . . . . . . . . . . 59.36 -134.74 51.8 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.514 -1.035 . . . . 0.0 110.514 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 15' ' ' VAL . . . . . . . . . . . . . 33.4 m -138.74 149.77 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-O 120.747 0.308 . . . . 0.0 110.27 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 16' ' ' VAL . . . . . 0.416 ' H ' HG22 ' G' ' 16' ' ' VAL . 23.3 m -94.01 -30.85 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.372 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.0 147.22 32.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.617 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 18' ' ' ALA . . . . . . . . . . . . . . . 46.65 23.25 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.587 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.4 94.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.603 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 20' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 50.75 25.34 2.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.474 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 21' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -62.71 -41.51 99.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 22' ' ' THR . . . . . 0.416 ' H ' HG22 ' G' ' 22' ' ' THR . 0.7 OUTLIER -75.98 140.88 42.24 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.414 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 23' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' G' ' 25' ' ' GLY . 22.4 pttp -67.39 -16.01 64.0 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.196 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 56.07 3.5 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.139 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 25' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' G' ' 23' ' ' LYS . . . 55.82 45.88 84.73 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 110.304 -1.119 . . . . 0.0 110.304 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 26' ' ' VAL . . . . . . . . . . . . . 73.7 t -56.58 -47.34 82.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.118 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.74 124.55 42.13 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.614 0.245 . . . . 0.0 110.4 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 28' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -157.13 121.24 4.29 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.802 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 29' ' ' ALA . . . . . . . . . . . . . . . -118.79 122.76 43.16 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.302 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.68 132.53 39.01 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.554 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.54 62.88 4.25 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 32' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -64.23 156.65 28.08 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.099 0.476 . . . . 0.0 110.51 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 33' ' ' THR . . . . . 0.483 ' H ' HG22 ' G' ' 33' ' ' THR . 0.0 OUTLIER -65.7 101.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.072 -178.305 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 34' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -56.59 141.5 42.98 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.319 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -108.07 119.45 39.5 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.816 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.84 -113.03 0.01 OUTLIER Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 37' ' ' VAL . . . . . 0.404 HG12 ' H ' ' H' ' 37' ' ' VAL . 13.4 m -129.99 148.73 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 38' ' ' LEU . . . . . . . . . . . . . 20.2 mt -116.87 130.13 56.52 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 39' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -125.9 117.01 22.41 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-O 120.732 0.301 . . . . 0.0 110.343 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 63.0 t -131.64 118.94 40.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.486 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.95 70.57 1.05 Allowed Glycine 0 C--O 1.245 0.84 0 C-N-CA 120.005 -1.093 . . . . 0.0 111.002 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 65.1 m -137.32 136.18 37.75 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 120.658 0.266 . . . . 0.0 110.544 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 43' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -117.85 126.64 52.77 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 44' ' ' THR . . . . . . . . . . . . . 88.7 m -132.03 126.6 34.27 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.85 0.357 . . . . 0.0 110.322 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 45' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -138.71 135.5 34.82 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.199 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 46' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -140.36 116.0 10.17 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.406 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.18 77.77 0.49 Allowed Glycine 0 CA--C 1.523 0.543 0 C-N-CA 120.409 -0.9 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 48' ' ' VAL . . . . . . . . . . . . . 97.8 t -142.29 137.39 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 120.765 0.316 . . . . 0.0 110.475 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.12 142.94 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-O 121.256 0.551 . . . . 0.0 110.787 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 50' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -144.41 119.41 10.01 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.142 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.73 135.28 9.11 Favored Glycine 0 N--CA 1.475 1.295 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 52' ' ' VAL . . . . . . . . . . . . . 76.3 t -129.56 125.66 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.17 127.4 39.64 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.653 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 54' ' ' THR . . . . . . . . . . . . . 91.7 m -127.27 126.34 42.5 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.254 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 55' ' ' VAL . . . . . . . . . . . . . 83.9 t -128.13 123.29 60.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.223 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.94 -78.36 0.39 Allowed 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.8 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -57.06 -163.81 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.798 0.332 . . . . 0.0 110.256 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 58' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' H' ' 58' ' ' LYS . 44.5 pttt -102.77 158.18 16.44 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.571 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 59' ' ' THR . . . . . . . . . . . . . 79.8 p -80.93 -36.79 30.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 110.291 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 60' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' H' ' 61' ' ' GLU . 32.6 tttp 73.9 66.93 0.09 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.573 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 61' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' F' ' 60' ' ' LYS . 95.3 mt-10 -99.63 81.79 2.54 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 120.901 0.381 . . . . 0.0 110.794 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -71.95 -83.15 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.145 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 63' ' ' VAL . . . . . . . . . . . . . 73.5 t -116.88 121.12 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-O 120.908 0.385 . . . . 0.0 110.783 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 90.6 m -123.79 126.91 47.31 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.191 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 65' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -130.39 115.24 16.6 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.517 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 66' ' ' VAL . . . . . . . . . . . . . 92.7 t -132.78 130.75 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-O 120.792 0.33 . . . . 0.0 110.871 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.15 -59.38 3.14 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.74 -107.38 0.07 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.46 154.63 47.78 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.855 0.36 . . . . 0.0 110.753 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.57 131.82 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-O 121.271 0.558 . . . . 0.0 111.093 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 71' ' ' VAL . . . . . 0.42 HG21 ' OG1' ' F' ' 92' ' ' THR . 58.4 t -127.27 123.91 62.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.05 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 72' ' ' THR . . . . . . . . . . . . . 73.3 p -126.04 146.41 49.91 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 120.991 0.424 . . . . 0.0 110.9 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.51 -126.57 6.9 Favored Glycine 0 N--CA 1.476 1.367 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.94 130.14 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-O 121.252 0.549 . . . . 0.0 111.293 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 75' ' ' THR . . . . . . . . . . . . . 88.5 m -130.38 128.17 40.85 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.731 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.56 139.14 38.55 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-O 120.765 0.317 . . . . 0.0 111.145 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 m -140.17 143.05 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 121.968 -0.457 . . . . 0.0 110.79 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 78' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' F' ' 79' ' ' GLN . . . -115.43 117.57 30.78 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.621 179.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 79' ' ' GLN . . . . . 0.441 ' O ' ' O ' ' H' ' 78' ' ' ALA . 35.5 mt-30 -140.52 161.09 38.56 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 80' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -114.01 -60.89 1.82 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -136.2 145.14 45.39 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.912 0.387 . . . . 0.0 110.99 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.67 143.69 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-O 120.963 0.411 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -146.61 143.84 29.11 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.945 0.403 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.05 131.46 1.63 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.65 127.65 33.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.799 0.333 . . . . 0.0 110.353 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.22 5.88 67.6 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 31.1 t -80.93 153.02 27.77 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.096 0.474 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 88' ' ' ILE . . . . . . . . . . . . . 4.8 pt -125.26 130.29 72.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.665 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.06 -60.56 2.06 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.76 0.314 . . . . 0.0 110.439 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.88 117.46 16.83 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.122 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.31 121.7 11.65 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.903 0.382 . . . . 0.0 110.774 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 92' ' ' THR . . . . . 0.419 ' OG1' HG21 ' H' ' 71' ' ' VAL . 8.8 p -92.76 106.17 18.19 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.28 92.7 0.51 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 94' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -118.82 120.02 36.11 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.791 0.329 . . . . 0.0 110.148 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -141.8 123.33 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 121.204 0.526 . . . . 0.0 110.573 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 96' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -123.52 123.69 41.17 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.968 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 97' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -120.86 128.8 53.16 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.362 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 98' ' ' ASP . . . . . 0.417 ' O ' ' OD2' ' F' ' 98' ' ' ASP . 34.5 t70 -147.54 63.18 1.14 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.983 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 99' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -64.52 129.67 40.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.152 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 100' ' ' LEU . . . . . . . . . . . . . 29.4 tp -141.01 115.47 9.45 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.939 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 101' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' G' ' 102' ' ' LYS . . . 178.53 173.14 43.63 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.454 -1.058 . . . . 0.0 110.454 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 102' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' G' ' 101' ' ' GLY . 33.0 ttmt 54.93 110.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 110.609 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 103' ' ' ASN . . . . . 0.583 ' ND2' ' O ' ' G' ' 103' ' ' ASN . 0.5 OUTLIER -133.93 124.39 26.29 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.942 0.401 . . . . 0.0 110.558 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 104' ' ' GLU . . . . . . . . . . . . . 45.3 mp0 -64.04 -39.45 94.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.447 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 105' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -71.43 145.85 49.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.536 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 106' ' ' GLY . . . . . . . . . . . . . . . -150.18 4.59 0.62 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.28 148.42 95.67 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 108' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -42.62 -46.7 8.07 Favored 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 121.812 1.675 . . . . 0.0 112.59 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 109' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -98.19 123.41 42.25 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.972 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 110' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -64.6 -39.37 93.6 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.602 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 111' ' ' GLY . . . . . . . . . . . . . . . -162.21 168.06 37.07 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 112' ' ' ILE . . . . . 0.418 ' O ' ' O ' ' G' ' 113' ' ' LEU . 33.4 pt -103.37 -6.26 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-O 120.753 0.311 . . . . 0.0 111.036 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 113' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' G' ' 112' ' ' ILE . 58.1 tp 50.18 99.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.003 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 114' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -84.42 -5.8 59.32 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.442 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 115' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -82.3 68.19 8.63 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.522 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 116' ' ' MET . . . . . 0.588 ' N ' ' CD ' ' G' ' 117' ' ' PRO . 0.0 OUTLIER -75.01 -39.94 3.51 Favored Pre-proline 0 CA--C 1.544 0.73 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.147 179.762 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 117' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' G' ' 116' ' ' MET . 39.5 Cg_exo -58.9 141.33 98.02 Favored 'Trans proline' 0 N--CA 1.503 2.086 0 C-N-CA 122.698 2.265 . . . . 0.0 112.392 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 118' ' ' VAL . . . . . . . . . . . . . 28.2 m -121.84 -2.66 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.341 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 119' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -142.27 73.32 21.51 Favored Pre-proline 0 N--CA 1.472 0.626 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.553 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 120' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.71 138.64 81.85 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 122.655 2.237 . . . . 0.0 112.023 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 121' ' ' ASP . . . . . 0.402 ' O ' ' CB ' ' G' ' 125' ' ' TYR . 57.4 p30 -93.34 10.71 30.97 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.379 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 122' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' G' ' 124' ' ' ALA . 95.1 m-20 -119.69 -177.62 3.43 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.465 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 123' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 57.74 -84.62 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 124' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' G' ' 122' ' ' ASN . . . -60.51 -36.68 78.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.429 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 125' ' ' TYR . . . . . 0.402 ' CB ' ' O ' ' G' ' 121' ' ' ASP . 86.1 t80 -55.91 -35.93 67.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.469 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 126' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.55 108.32 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.409 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 127' ' ' MET . . . . . . . . . . . . . 98.0 mmm -132.36 66.77 77.81 Favored Pre-proline 0 N--CA 1.472 0.658 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.212 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 128' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.93 -14.77 26.48 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.209 1.939 . . . . 0.0 111.883 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 129' ' ' SER . . . . . . . . . . . . . 71.0 m -68.59 140.52 55.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.356 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 130' ' ' GLU . . . . . 0.472 ' OE1' ' N ' ' G' ' 130' ' ' GLU . 57.8 mp0 -108.63 129.48 55.33 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.443 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 131' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' G' ' 132' ' ' GLY . 3.1 pp20? -67.7 -32.79 73.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.663 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 132' ' ' GLY . . . . . 0.452 ' N ' ' CD ' ' G' ' 131' ' ' GLU . . . -77.33 153.6 41.38 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 133' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -81.71 151.32 27.57 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 134' ' ' GLN . . . . . 0.447 ' CD ' ' H ' ' G' ' 134' ' ' GLN . 28.5 mp0 -60.67 -43.11 98.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.984 -179.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 135' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -96.3 143.84 27.01 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.523 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 136' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -105.63 133.82 49.75 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 137' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -149.1 63.25 6.61 Favored Pre-proline 0 N--CA 1.465 0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.243 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 138' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -75.37 146.58 31.53 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.394 2.063 . . . . 0.0 111.684 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 139' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -100.92 123.74 45.56 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.267 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.636 -179.931 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' H' H ' 1' ' ' MET . . . . . . . . . . . . . 65.8 ttp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' H' H ' 2' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.24 141.54 55.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.38 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 3' ' ' VAL . . . . . 0.409 HG22 ' H ' ' H' ' 3' ' ' VAL . 12.1 m -64.85 -34.21 68.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.579 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -137.48 136.91 38.15 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 120.896 0.379 . . . . 0.0 110.585 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 5' ' ' MET . . . . . . . . . . . . . 98.0 mtp -87.95 145.95 25.77 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.541 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -131.64 148.13 52.57 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.557 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.31 143.07 12.7 Favored Glycine 0 N--CA 1.469 0.862 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 8' ' ' LEU . . . . . 0.588 ' N ' HD12 ' H' ' 8' ' ' LEU . 9.1 mp -89.16 152.4 21.64 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 9' ' ' SER . . . . . . . . . . . . . 28.5 t -139.64 -88.14 0.2 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.474 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 10' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -70.17 -20.1 63.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.451 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 11' ' ' ALA . . . . . . . . . . . . . . . 64.67 40.4 5.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.462 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -86.76 94.23 9.47 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.434 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 13' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -139.93 -23.17 0.85 Allowed 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.329 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.01 52.7 0.03 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 15' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.63 -42.41 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 m -54.06 -21.14 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.768 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 17' ' ' ALA . . . . . . . . . . . . . . . 50.22 37.58 15.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.67 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.31 139.53 58.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.356 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -156.82 160.08 38.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.405 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 20' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -75.37 76.61 2.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.515 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 21' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -159.11 136.95 10.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.178 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 22' ' ' THR . . . . . . . . . . . . . 95.6 m -104.05 129.69 51.71 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.239 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 23' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -59.02 122.05 12.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.583 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 45.36 39.57 4.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.5 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.13 3.18 87.65 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 26' ' ' VAL . . . . . . . . . . . . . 96.6 t -70.04 123.16 23.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.889 0.376 . . . . 0.0 110.408 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 27' ' ' ALA . . . . . . . . . . . . . . . -161.47 163.66 30.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.451 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 28' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -60.75 -43.4 98.01 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.378 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.17 112.35 16.35 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.523 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.82 133.29 39.63 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.564 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.43 63.1 4.12 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 32' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -64.16 156.55 28.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.053 0.454 . . . . 0.0 110.661 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 33' ' ' THR . . . . . 0.443 HG22 ' H ' ' H' ' 33' ' ' THR . 0.0 OUTLIER -65.74 101.05 0.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.024 -178.278 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -56.66 141.55 43.19 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.368 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 35' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -107.99 119.56 39.8 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.831 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.92 -113.06 0.01 OUTLIER Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 37' ' ' VAL . . . . . 0.408 HG12 ' H ' ' I' ' 37' ' ' VAL . 13.7 m -129.92 148.85 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 mt -116.95 129.9 56.34 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 39' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -125.9 117.06 22.52 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 120.66 0.267 . . . . 0.0 110.326 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 64.1 t -131.55 118.9 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.494 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.72 70.94 0.95 Allowed Glycine 0 C--O 1.246 0.876 0 C-N-CA 120.103 -1.046 . . . . 0.0 110.95 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 66.0 m -137.42 136.34 37.72 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 120.778 0.323 . . . . 0.0 110.549 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 43' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -117.75 126.74 53.01 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 44' ' ' THR . . . . . . . . . . . . . 89.1 m -132.33 126.57 33.59 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.885 0.374 . . . . 0.0 110.249 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 45' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -138.67 135.6 35.0 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.181 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 46' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -140.44 116.08 10.18 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.378 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.1 78.15 0.46 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 48' ' ' VAL . . . . . . . . . . . . . 97.7 t -142.71 137.37 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-O 120.695 0.283 . . . . 0.0 110.541 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.16 143.01 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-O 121.162 0.506 . . . . 0.0 110.807 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 50' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -144.45 119.49 10.04 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.189 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.89 135.37 9.11 Favored Glycine 0 N--CA 1.476 1.334 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 52' ' ' VAL . . . . . . . . . . . . . 78.6 t -129.46 125.72 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.16 127.45 39.73 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.595 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 54' ' ' THR . . . . . . . . . . . . . 92.4 m -127.29 126.34 42.46 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.194 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 55' ' ' VAL . . . . . . . . . . . . . 84.6 t -127.98 123.13 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.236 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.75 -78.74 0.37 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.816 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.87 -163.85 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.68 0.276 . . . . 0.0 110.368 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 58' ' ' LYS . . . . . 0.463 ' O ' ' CB ' ' I' ' 58' ' ' LYS . 44.6 pttt -102.86 158.05 16.54 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.589 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 59' ' ' THR . . . . . . . . . . . . . 79.7 p -80.82 -36.82 31.11 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.971 0.415 . . . . 0.0 110.269 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 60' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' I' ' 61' ' ' GLU . 32.5 tttp 73.95 66.9 0.09 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.553 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 61' ' ' GLU . . . . . 0.456 ' O ' ' O ' ' G' ' 60' ' ' LYS . 95.2 mt-10 -99.65 81.58 2.51 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-O 120.884 0.374 . . . . 0.0 110.733 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -71.64 -83.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.053 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 63' ' ' VAL . . . . . . . . . . . . . 77.0 t -116.19 121.23 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 90.4 m -123.8 126.77 47.05 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.249 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 65' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -130.23 115.14 16.56 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.572 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 66' ' ' VAL . . . . . . . . . . . . . 93.3 t -132.78 130.69 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-O 120.738 0.304 . . . . 0.0 110.94 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.91 -59.47 3.17 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.8 -107.38 0.08 OUTLIER Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.46 154.52 47.76 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.884 0.373 . . . . 0.0 110.629 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.66 131.9 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-O 121.292 0.568 . . . . 0.0 111.079 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 71' ' ' VAL . . . . . 0.419 HG21 ' OG1' ' G' ' 92' ' ' THR . 58.3 t -127.31 123.99 63.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.106 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 72' ' ' THR . . . . . . . . . . . . . 72.2 p -126.07 146.56 49.86 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 120.885 0.374 . . . . 0.0 110.9 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.4 -126.58 6.91 Favored Glycine 0 N--CA 1.476 1.355 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.97 130.25 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-O 121.258 0.551 . . . . 0.0 111.297 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 75' ' ' THR . . . . . . . . . . . . . 88.8 m -130.57 128.08 40.36 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.717 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.42 139.22 38.81 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 120.723 0.297 . . . . 0.0 111.119 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 m -140.06 143.2 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 121.899 -0.501 . . . . 0.0 110.791 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 78' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' G' ' 79' ' ' GLN . . . -115.55 117.52 30.58 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 79' ' ' GLN . . . . . 0.443 ' O ' ' O ' ' I' ' 78' ' ' ALA . 35.8 mt-30 -140.56 160.98 38.83 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 80' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.91 -60.7 1.85 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -136.52 145.19 44.78 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.021 0.439 . . . . 0.0 110.931 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.68 143.7 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-O 121.051 0.453 . . . . 0.0 110.808 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -146.62 144.0 29.21 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.86 131.35 1.64 Allowed Glycine 0 N--CA 1.465 0.595 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.67 127.65 33.19 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.368 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.29 5.85 67.93 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 30.5 t -80.82 153.14 27.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.01 0.433 . . . . 0.0 110.81 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 88' ' ' ILE . . . . . . . . . . . . . 4.8 pt -125.44 130.23 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 89' ' ' ALA . . . . . . . . . . . . . . . -83.9 -60.3 2.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.847 0.356 . . . . 0.0 110.504 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 90' ' ' ALA . . . . . . . . . . . . . . . -134.19 117.46 16.54 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.216 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.36 121.85 11.72 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.938 0.399 . . . . 0.0 110.755 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 92' ' ' THR . . . . . 0.418 ' OG1' HG21 ' I' ' 71' ' ' VAL . 9.2 p -92.7 106.29 18.3 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.0 92.9 0.48 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 94' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -118.87 120.08 36.26 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.845 0.355 . . . . 0.0 110.148 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -141.63 123.25 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-O 121.201 0.524 . . . . 0.0 110.599 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 96' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -123.74 127.07 47.61 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.445 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 97' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -125.03 128.84 49.15 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.145 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 98' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -134.69 150.48 50.62 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.338 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 99' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -171.22 42.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.017 0.437 . . . . 0.0 110.245 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 100' ' ' LEU . . . . . 0.477 HD21 ' OD1' ' I' ' 98' ' ' ASP . 89.7 mt -64.78 -37.3 87.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.503 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 101' ' ' GLY . . . . . . . . . . . . . . . 62.41 -130.25 43.54 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 102' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -91.06 3.0 55.9 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.407 0.146 . . . . 0.0 111.347 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 103' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 58.62 25.79 13.67 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.822 0.344 . . . . 0.0 110.348 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 104' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -140.67 148.87 41.48 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.425 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 105' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -129.68 140.45 51.12 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.308 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 106' ' ' GLY . . . . . . . . . . . . . . . -137.68 146.75 18.66 Favored Glycine 0 N--CA 1.469 0.835 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.19 154.64 92.13 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 108' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -66.78 120.27 7.36 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 121.928 1.752 . . . . 0.0 111.555 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 109' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -65.14 -39.54 93.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.434 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 110' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -69.93 -148.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.446 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.6 5.98 86.15 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 112' ' ' ILE . . . . . . . . . . . . . 38.4 pt -96.7 156.02 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 120.828 0.347 . . . . 0.0 110.432 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 113' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.01 -173.22 4.43 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.349 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 114' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -148.33 160.51 42.92 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.263 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 115' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -59.76 138.47 57.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.477 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 116' ' ' MET . . . . . . . . . . . . . 50.4 ttm -149.79 64.58 7.1 Favored Pre-proline 0 N--CA 1.466 0.352 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 117' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -76.4 120.39 5.61 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.385 2.056 . . . . 0.0 111.965 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 118' ' ' VAL . . . . . . . . . . . . . 7.1 p -76.95 -23.09 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.71 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 119' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 55.67 72.65 0.99 Allowed Pre-proline 0 C--N 1.332 -0.161 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.8 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 120' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -57.42 146.73 81.85 Favored 'Trans proline' 0 N--CA 1.502 2.0 0 C-N-CA 123.1 2.533 . . . . 0.0 112.036 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 121' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -148.08 -4.19 0.48 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.639 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 122' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -98.14 114.45 26.66 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.606 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 123' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -90.83 1.82 56.63 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.371 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.28 -39.18 85.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.453 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 125' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' H' ' 125' ' ' TYR . 81.3 t80 56.83 53.83 7.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.585 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 126' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 49.78 -93.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.6 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 127' ' ' MET . . . . . 0.411 ' N ' ' O ' ' H' ' 125' ' ' TYR . 47.7 ttm 46.73 69.42 2.68 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.645 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 128' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -53.94 -37.74 85.91 Favored 'Trans proline' 0 N--CA 1.499 1.849 0 C-N-CA 122.739 2.293 . . . . 0.0 112.103 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 129' ' ' SER . . . . . . . . . . . . . 83.9 p -71.87 163.71 27.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.787 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 130' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 55.88 51.66 11.88 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.594 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 131' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -62.93 138.13 58.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.419 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 132' ' ' GLY . . . . . . . . . . . . . . . -65.19 -21.68 68.39 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 133' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -76.14 110.61 10.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.298 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 134' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -97.91 100.09 11.42 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.62 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 135' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -85.19 -179.09 6.93 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.539 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 136' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' H' ' 136' ' ' TYR . 53.0 p90 -81.51 130.29 34.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.372 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 137' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 46.42 68.02 3.82 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.489 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 138' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -50.61 132.74 36.75 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 122.676 2.251 . . . . 0.0 112.273 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 139' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -64.05 -41.78 97.26 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.351 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.586 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' I' I ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' I' I ' 2' ' ' ASP . . . . . 0.4 ' O ' ' CE2' ' I' ' 4' ' ' PHE . 97.0 m-20 -89.82 2.42 54.96 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.434 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 95.2 t -62.3 130.46 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.34 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 4' ' ' PHE . . . . . 0.4 ' CE2' ' O ' ' I' ' 2' ' ' ASP . 98.2 m-85 -107.27 147.74 29.85 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.392 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 5' ' ' MET . . . . . . . . . . . . . 25.0 ptp -149.28 159.58 44.14 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.602 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 6' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -80.23 155.55 27.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.279 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.14 -39.23 95.58 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.799 -0.921 . . . . 0.0 110.799 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 8' ' ' LEU . . . . . . . . . . . . . 83.6 mt -86.4 -5.69 59.11 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.944 0.402 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 55.1 m 56.48 43.1 26.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.416 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 10' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -82.88 130.86 35.19 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.01 0.433 . . . . 0.0 110.993 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 11' ' ' ALA . . . . . . . . . . . . . . . -114.82 58.6 0.7 Allowed 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.143 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 12' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -151.9 138.36 18.59 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.607 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -68.32 149.27 49.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.573 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.24 150.9 47.9 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 m -136.39 154.53 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 CA-C-O 120.826 0.345 . . . . 0.0 110.575 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 16' ' ' VAL . . . . . . . . . . . . . 34.7 m -141.25 160.71 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.517 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 17' ' ' ALA . . . . . . . . . . . . . . . 54.76 77.99 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.704 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 18' ' ' ALA . . . . . 0.503 ' O ' ' HB3' ' I' ' 19' ' ' ALA . . . -60.27 -39.14 85.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.366 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 19' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' I' ' 18' ' ' ALA . . . 72.77 -43.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.687 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 20' ' ' GLU . . . . . 0.408 ' H ' ' C ' ' I' ' 18' ' ' ALA . 24.2 tt0 42.77 -126.99 0.74 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.546 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 21' ' ' LYS . . . . . . . . . . . . . 82.2 tttt 59.08 161.77 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.664 0.269 . . . . 0.0 110.453 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m 72.26 36.67 1.04 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.644 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 23' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -95.06 114.37 26.17 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.108 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 24' ' ' GLN . . . . . 0.422 ' N ' ' CD ' ' I' ' 24' ' ' GLN . 22.7 mp0 -64.11 -39.89 95.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.677 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.68 -160.53 52.99 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 26' ' ' VAL . . . . . . . . . . . . . 95.2 t -119.85 117.73 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-O 120.88 0.371 . . . . 0.0 110.312 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 27' ' ' ALA . . . . . . . . . . . . . . . -172.06 152.71 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.509 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 28' ' ' GLU . . . . . 0.522 ' N ' ' OE1' ' I' ' 28' ' ' GLU . 14.8 pm0 -82.99 139.94 33.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 29' ' ' ALA . . . . . . . . . . . . . . . -166.01 138.24 3.94 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.862 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.72 133.96 38.58 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.636 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.53 63.24 4.02 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 32' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -64.1 156.58 27.87 Favored 'General case' 0 CA--C 1.521 -0.139 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.758 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 33' ' ' THR . . . . . 0.424 HG22 ' H ' ' I' ' 33' ' ' THR . 0.0 OUTLIER -65.81 101.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.976 -178.293 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -56.87 141.58 44.37 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.3 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -108.08 119.83 40.59 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.736 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.19 -113.04 0.01 OUTLIER Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 37' ' ' VAL . . . . . 0.42 HG12 ' H ' ' J' ' 37' ' ' VAL . 13.9 m -129.88 148.82 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 38' ' ' LEU . . . . . . . . . . . . . 20.5 mt -116.83 129.79 56.3 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 39' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -125.93 117.08 22.55 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-O 120.706 0.288 . . . . 0.0 110.347 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 66.1 t -131.51 118.94 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.474 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.6 71.13 0.91 Allowed Glycine 0 C--O 1.245 0.816 0 C-N-CA 120.057 -1.068 . . . . 0.0 110.779 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 67.4 m -137.48 136.54 37.81 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 120.831 0.348 . . . . 0.0 110.455 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 43' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -117.56 126.64 52.91 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.959 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 44' ' ' THR . . . . . . . . . . . . . 89.0 m -132.41 126.6 33.51 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 120.868 0.366 . . . . 0.0 110.311 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 45' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -138.62 135.63 35.11 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.184 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 46' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -140.55 116.3 10.27 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.358 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.04 78.36 0.44 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.709 -0.957 . . . . 0.0 110.709 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 48' ' ' VAL . . . . . . . . . . . . . 98.2 t -142.98 137.45 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.722 0.296 . . . . 0.0 110.56 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.31 143.0 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-O 121.138 0.494 . . . . 0.0 110.794 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 50' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -144.54 119.59 10.05 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.171 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.09 135.47 9.11 Favored Glycine 0 N--CA 1.476 1.333 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 52' ' ' VAL . . . . . . . . . . . . . 83.2 t -129.44 125.79 62.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.13 127.57 40.04 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.65 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 54' ' ' THR . . . . . . . . . . . . . 91.9 m -127.28 126.36 42.5 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.134 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 55' ' ' VAL . . . . . . . . . . . . . 84.1 t -128.04 123.11 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.266 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.65 -79.11 0.36 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.787 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.79 -163.93 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 120.749 0.309 . . . . 0.0 110.301 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 58' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' J' ' 58' ' ' LYS . 44.5 pttt -103.02 157.67 16.82 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.578 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 59' ' ' THR . . . . . . . . . . . . . 81.0 p -80.27 -36.89 33.89 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.154 0.502 . . . . 0.0 110.404 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 60' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' J' ' 61' ' ' GLU . 32.4 tttp 73.92 66.77 0.09 Allowed 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.527 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 61' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' H' ' 60' ' ' LYS . 95.1 mt-10 -99.83 81.47 2.46 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 121.024 0.44 . . . . 0.0 110.789 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -71.41 -84.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.029 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 63' ' ' VAL . . . . . . . . . . . . . 80.6 t -115.81 121.17 66.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 120.795 0.331 . . . . 0.0 110.913 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 90.2 m -123.79 126.8 47.12 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 65' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -130.29 115.06 16.41 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.582 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 66' ' ' VAL . . . . . . . . . . . . . 93.2 t -132.76 130.74 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-O 120.821 0.343 . . . . 0.0 110.885 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.77 -59.44 3.21 Favored Glycine 0 CA--C 1.529 0.906 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.85 -107.43 0.08 OUTLIER Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.591 -0.604 . . . . 0.0 111.591 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.38 154.49 47.84 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.866 0.365 . . . . 0.0 110.654 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.81 131.91 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-O 121.31 0.576 . . . . 0.0 111.064 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 71' ' ' VAL . . . . . 0.418 HG21 ' OG1' ' H' ' 92' ' ' THR . 58.0 t -127.35 124.0 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.083 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 72' ' ' THR . . . . . . . . . . . . . 74.0 p -126.17 146.58 49.9 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.021 0.439 . . . . 0.0 110.807 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.36 -126.42 6.84 Favored Glycine 0 N--CA 1.475 1.257 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.17 130.39 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-O 121.336 0.589 . . . . 0.0 111.33 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 75' ' ' THR . . . . . . . . . . . . . 88.6 m -130.77 128.02 39.9 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.682 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.48 139.36 38.77 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-O 120.786 0.327 . . . . 0.0 110.965 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 77' ' ' VAL . . . . . 0.401 HG22 HG12 ' J' ' 77' ' ' VAL . 3.3 m -140.08 143.36 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 121.923 -0.486 . . . . 0.0 110.679 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 78' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' H' ' 79' ' ' GLN . . . -115.57 117.49 30.48 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 79' ' ' GLN . . . . . 0.445 ' O ' ' O ' ' J' ' 78' ' ' ALA . 35.5 mt-30 -140.58 160.63 39.6 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 80' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.72 -60.31 1.9 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -136.88 145.11 43.97 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 120.948 0.404 . . . . 0.0 110.974 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.71 143.62 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-O 120.981 0.419 . . . . 0.0 110.797 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -146.61 144.05 29.25 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.8 131.29 1.63 Allowed Glycine 0 N--CA 1.466 0.685 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.67 127.53 32.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.782 0.325 . . . . 0.0 110.33 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.43 5.64 68.07 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 30.0 t -80.63 153.06 28.19 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.076 0.465 . . . . 0.0 110.802 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 88' ' ' ILE . . . . . . . . . . . . . 4.7 pt -125.32 130.28 72.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.683 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 89' ' ' ALA . . . . . . . . . . . . . . . -83.8 -60.13 2.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.789 0.328 . . . . 0.0 110.477 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 90' ' ' ALA . . . . . . . . . . . . . . . -134.54 117.51 16.27 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.153 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.42 121.85 11.68 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.945 0.402 . . . . 0.0 110.796 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 92' ' ' THR . . . . . 0.422 ' OG1' HG21 ' J' ' 71' ' ' VAL . 9.8 p -92.53 106.32 18.33 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.86 93.01 0.47 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 94' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -118.82 120.12 36.4 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 120.815 0.341 . . . . 0.0 110.177 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -141.61 123.33 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 121.172 0.51 . . . . 0.0 110.553 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 96' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -123.67 126.09 45.94 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.106 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 97' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -120.12 122.51 41.18 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.501 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 98' ' ' ASP . . . . . 0.477 ' OD1' HD21 ' H' ' 100' ' ' LEU . 52.7 t0 -135.57 60.51 1.69 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.171 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 99' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -108.97 -63.16 1.38 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.798 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 100' ' ' LEU . . . . . . . . . . . . . 58.5 tp -159.11 115.82 2.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.11 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.01 143.67 29.0 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 102' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -88.33 165.63 14.85 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 110.543 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 103' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -79.43 73.43 6.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.134 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 104' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -81.39 74.56 8.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.367 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 105' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -77.84 143.9 37.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.966 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 106' ' ' GLY . . . . . . . . . . . . . . . -166.01 138.51 5.26 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.549 -1.021 . . . . 0.0 110.549 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.44 156.47 73.49 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 108' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -69.65 151.39 69.71 Favored 'Trans proline' 0 N--CA 1.498 1.784 0 C-N-CA 122.212 1.942 . . . . 0.0 111.772 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 109' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -81.99 -7.35 59.61 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.568 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 110' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -143.98 135.08 25.51 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.851 0.358 . . . . 0.0 110.359 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 111' ' ' GLY . . . . . . . . . . . . . . . 177.82 90.82 0.08 OUTLIER Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.691 -0.964 . . . . 0.0 110.691 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 112' ' ' ILE . . . . . . . . . . . . . 38.7 pt -132.99 159.1 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.837 0.351 . . . . 0.0 110.48 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 113' ' ' LEU . . . . . . . . . . . . . 70.3 mt -78.14 142.6 37.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.033 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 114' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -69.68 93.18 0.7 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.898 0.38 . . . . 0.0 110.171 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -79.73 -7.11 58.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.383 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 116' ' ' MET . . . . . . . . . . . . . 89.6 mtp 54.34 68.92 2.38 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.435 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 117' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -50.99 -36.34 53.49 Favored 'Trans proline' 0 N--CA 1.5 1.88 0 C-N-CA 122.927 2.418 . . . . 0.0 111.872 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 118' ' ' VAL . . . . . . . . . . . . . 9.6 p -113.61 138.75 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.264 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 119' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -134.59 152.28 77.48 Favored Pre-proline 0 N--CA 1.477 0.9 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.309 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 120' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -41.34 135.51 2.83 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 121.912 1.741 . . . . 0.0 112.231 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -74.45 78.32 1.92 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.179 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 122' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -97.85 129.3 44.82 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.869 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 123' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' I' ' 126' ' ' GLU . 99.1 mt-10 -62.9 -36.56 83.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.525 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.13 91.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 125' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -93.38 -7.44 44.68 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.59 0.233 . . . . 0.0 111.029 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 126' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' I' ' 123' ' ' GLU . 75.0 mm-40 -129.83 122.81 29.46 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 120.745 0.307 . . . . 0.0 110.338 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 97.9 mmm -132.79 73.11 76.49 Favored Pre-proline 0 N--CA 1.476 0.868 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 128' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.87 -31.6 81.88 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 C-N-CA 122.742 2.294 . . . . 0.0 111.907 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 129' ' ' SER . . . . . . . . . . . . . 96.3 p -61.69 -22.89 65.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.861 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 130' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -125.51 130.25 51.38 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 120.834 0.35 . . . . 0.0 110.425 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 131' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -110.24 123.29 49.52 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.194 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 132' ' ' GLY . . . . . . . . . . . . . . . 83.22 171.03 47.0 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 133' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -100.6 5.36 43.91 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 120.775 0.321 . . . . 0.0 110.625 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 134' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -51.16 131.84 27.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.695 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 135' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -97.3 133.84 41.38 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.76 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 136' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -75.6 130.25 38.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.555 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 137' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -153.76 56.1 1.51 Allowed Pre-proline 0 N--CA 1.463 0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.404 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 138' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.99 148.13 50.52 Favored 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.741 2.294 . . . . 0.0 112.148 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 139' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' I' ' 139' ' ' GLU . 19.7 pm0 -70.78 -15.66 62.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.149 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.48 179.777 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' J' J ' 1' ' ' MET . . . . . . . . . . . . . 87.4 mmm . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' J' J ' 2' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -82.41 109.78 16.96 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.836 0.35 . . . . 0.0 110.444 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 3' ' ' VAL . . . . . . . . . . . . . 15.9 t -63.46 146.26 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.224 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 64.65 87.32 0.12 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.359 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 5' ' ' MET . . . . . . . . . . . . . 76.4 mtm -61.3 -36.66 80.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.484 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 6' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -52.11 141.72 17.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.701 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.88 179.93 35.95 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 8' ' ' LEU . . . . . 0.534 HD22 ' N ' ' J' ' 8' ' ' LEU . 3.9 mm? 51.3 28.15 4.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.194 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 9' ' ' SER . . . . . . . . . . . . . 75.6 m -62.53 -40.09 95.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.798 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 10' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -84.34 126.57 33.33 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.687 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.16 146.02 45.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.973 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 12' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -62.12 -41.28 98.07 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.775 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 13' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -163.53 146.21 9.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.286 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.43 -158.09 50.16 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 15' ' ' VAL . . . . . . . . . . . . . 35.2 m -130.15 154.53 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-O 120.953 0.406 . . . . 0.0 110.558 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 16' ' ' VAL . . . . . . . . . . . . . 29.5 m -80.0 -30.78 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.804 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.71 141.99 58.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.458 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.62 136.13 57.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.408 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.17 95.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.502 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 20' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -76.12 136.19 39.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.668 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 21' ' ' LYS . . . . . 0.445 ' NZ ' ' CB ' ' J' ' 21' ' ' LYS . 8.7 mtpm? -81.48 140.63 34.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.506 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 22' ' ' THR . . . . . . . . . . . . . 72.5 p -77.66 160.46 28.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.124 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 23' ' ' LYS . . . . . . . . . . . . . 37.9 tptt 42.43 89.45 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.786 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 24' ' ' GLN . . . . . 0.505 ' OE1' ' N ' ' J' ' 24' ' ' GLN . 10.2 pm0 -76.21 -167.19 0.72 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.31 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.68 20.36 66.19 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 26' ' ' VAL . . . . . . . . . . . . . 13.4 p -51.45 -29.54 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.775 0.321 . . . . 0.0 110.668 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 27' ' ' ALA . . . . . . . . . . . . . . . -158.48 -160.03 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.396 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 28' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 56.15 -118.25 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.626 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.53 121.38 41.49 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.906 0.384 . . . . 0.0 110.838 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.0 136.1 31.79 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.54 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.3 63.35 4.01 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 32' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -63.85 156.42 27.53 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.081 0.467 . . . . 0.0 110.766 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 33' ' ' THR . . . . . 0.445 ' H ' HG22 ' J' ' 33' ' ' THR . 0.0 OUTLIER -65.69 101.56 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.805 -178.453 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' J' J ' 34' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -57.43 141.62 46.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.198 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 35' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -107.98 120.15 41.49 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.729 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.53 -112.84 0.01 OUTLIER Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 37' ' ' VAL . . . . . 0.42 ' H ' HG12 ' I' ' 37' ' ' VAL . 14.7 m -130.02 148.82 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 38' ' ' LEU . . . . . . . . . . . . . 20.9 mt -116.71 129.56 56.2 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 39' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -125.95 117.25 22.88 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 120.865 0.364 . . . . 0.0 110.332 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 68.5 t -131.37 119.07 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.539 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.58 70.24 1.13 Allowed Glycine 0 C--N 1.337 0.603 0 C-N-CA 120.04 -1.076 . . . . 0.0 111.026 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 42' ' ' SER . . . . . . . . . . . . . 67.6 m -136.53 137.03 39.84 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 120.9 0.381 . . . . 0.0 110.619 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 43' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -117.5 126.6 52.89 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.942 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 44' ' ' THR . . . . . . . . . . . . . 88.3 m -132.62 126.63 33.15 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.945 0.403 . . . . 0.0 110.258 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 45' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -138.55 135.66 35.27 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.146 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 46' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -140.87 116.58 10.28 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.897 0.379 . . . . 0.0 110.173 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.64 78.76 0.4 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 48' ' ' VAL . . . . . . . . . . . . . 98.7 t -143.31 137.45 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 115.773 -0.213 . . . . 0.0 110.446 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.53 143.11 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-O 121.234 0.54 . . . . 0.0 110.695 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 50' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -144.6 119.81 10.15 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.087 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.59 135.62 9.05 Favored Glycine 0 N--CA 1.477 1.375 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 52' ' ' VAL . . . . . . . . . . . . . 89.7 t -129.41 125.93 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.32 127.73 40.05 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 120.948 0.404 . . . . 0.0 110.55 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 54' ' ' THR . . . . . . . . . . . . . 92.3 m -127.28 126.32 42.43 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.173 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 55' ' ' VAL . . . . . . . . . . . . . 85.1 t -127.96 123.0 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.282 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.42 -79.57 0.35 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.724 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.67 -164.18 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.346 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 58' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' I' ' 58' ' ' LYS . 44.7 pttt -103.11 157.09 17.23 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.657 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 59' ' ' THR . . . . . . . . . . . . . 82.8 p -79.75 -36.8 36.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.464 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 60' ' ' LYS . . . . . . . . . . . . . 32.0 tttp 74.03 66.11 0.09 Allowed 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.647 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 61' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' I' ' 60' ' ' LYS . 95.3 mt-10 -99.52 81.19 2.47 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 120.943 0.401 . . . . 0.0 110.93 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -71.1 -84.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.105 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 63' ' ' VAL . . . . . . . . . . . . . 88.0 t -115.49 121.31 66.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.826 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 64' ' ' THR . . . . . . . . . . . . . 90.4 m -123.92 126.83 47.05 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 120.769 0.319 . . . . 0.0 110.158 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 65' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -130.14 115.01 16.44 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.619 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 66' ' ' VAL . . . . . . . . . . . . . 90.5 t -132.91 130.8 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-O 120.87 0.367 . . . . 0.0 110.88 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.56 -59.23 3.32 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.2 -107.58 0.08 OUTLIER Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.3 154.47 47.93 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.853 0.358 . . . . 0.0 110.53 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.09 131.8 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-O 121.228 0.537 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 71' ' ' VAL . . . . . 0.422 HG21 ' OG1' ' I' ' 92' ' ' THR . 57.6 t -127.06 124.12 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.912 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 72' ' ' THR . . . . . . . . . . . . . 71.9 p -126.24 146.84 49.83 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.066 0.46 . . . . 0.0 110.8 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.09 -126.57 6.94 Favored Glycine 0 N--CA 1.473 1.127 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.21 130.53 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-O 121.333 0.587 . . . . 0.0 111.321 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 75' ' ' THR . . . . . . . . . . . . . 87.7 m -131.03 128.16 39.75 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.638 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.81 139.47 38.22 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 120.832 0.348 . . . . 0.0 110.708 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 77' ' ' VAL . . . . . 0.401 HG12 HG22 ' I' ' 77' ' ' VAL . 3.4 m -139.96 143.53 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.646 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 78' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' I' ' 79' ' ' GLN . . . -115.72 117.61 30.73 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 79' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -140.85 160.0 41.0 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 80' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.3 -59.33 2.03 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -137.93 144.9 41.48 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.988 0.423 . . . . 0.0 110.818 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.77 143.61 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 120.878 0.371 . . . . 0.0 110.665 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -146.71 144.12 29.21 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.68 131.19 1.63 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.68 127.44 32.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.865 0.364 . . . . 0.0 110.398 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.49 5.69 68.56 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 87' ' ' SER . . . . . . . . . . . . . 29.0 t -80.71 152.73 28.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.834 0.349 . . . . 0.0 110.716 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 88' ' ' ILE . . . . . . . . . . . . . 4.7 pt -124.98 130.46 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 89' ' ' ALA . . . . . . . . . . . . . . . -83.77 -59.93 2.27 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.884 0.373 . . . . 0.0 110.493 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 90' ' ' ALA . . . . . . . . . . . . . . . -134.9 117.71 16.15 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.16 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.58 121.93 11.62 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.928 0.395 . . . . 0.0 110.721 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 92' ' ' THR . . . . . . . . . . . . . 10.7 p -92.59 106.42 18.4 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.913 0.387 . . . . 0.0 110.115 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.76 92.93 0.46 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 94' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -118.78 120.09 36.34 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -141.43 123.25 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-O 121.03 0.443 . . . . 0.0 110.538 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 96' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -124.43 129.51 50.79 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.252 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 97' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -127.01 146.14 50.46 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.105 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 98' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -66.97 162.3 22.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.181 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 99' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -143.15 76.41 1.52 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.168 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 100' ' ' LEU . . . . . . . . . . . . . 53.0 mt -108.72 147.05 32.54 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.087 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.17 -121.99 0.33 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 102' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp 55.33 -127.8 2.16 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.251 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 103' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 55.56 35.19 24.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.933 0.397 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 104' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.83 -39.8 91.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.422 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 105' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -138.18 179.69 6.3 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.714 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.56 13.17 68.14 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.39 151.31 97.28 Favored Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 110.345 -0.242 . . . . 0.0 110.345 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 108' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -64.59 -10.74 25.62 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 122.631 2.221 . . . . 0.0 111.877 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 109' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -59.5 -37.4 78.18 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 110' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -77.75 133.86 38.18 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 111' ' ' GLY . . . . . . . . . . . . . . . -98.09 145.51 17.81 Favored Glycine 0 N--CA 1.47 0.934 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 112' ' ' ILE . . . . . . . . . . . . . 86.5 mt -114.02 124.23 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-O 120.81 0.338 . . . . 0.0 110.431 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 113' ' ' LEU . . . . . . . . . . . . . 59.4 tp -124.76 127.72 47.65 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.989 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 114' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -66.01 125.15 24.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.402 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -101.15 179.45 4.37 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.511 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 116' ' ' MET . . . . . . . . . . . . . 77.6 mmm 46.78 67.91 3.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.505 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 117' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -52.98 -34.57 67.73 Favored 'Trans proline' 0 N--CA 1.5 1.875 0 C-N-CA 122.762 2.308 . . . . 0.0 112.147 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 118' ' ' VAL . . . . . . . . . . . . . 13.6 m -66.59 -20.3 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.992 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 119' ' ' ASP . . . . . . . . . . . . . 44.5 t0 48.54 78.95 0.37 Allowed Pre-proline 0 CA--C 1.529 0.172 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.531 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 120' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -80.65 153.08 20.07 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 122.271 1.981 . . . . 0.0 112.018 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -61.61 135.32 57.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.635 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 122' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -99.88 -179.65 4.23 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.549 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 123' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -84.59 96.59 9.22 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.927 0.394 . . . . 0.0 110.483 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 124' ' ' ALA . . . . . . . . . . . . . . . -94.69 3.62 54.83 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.475 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 125' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -73.02 75.33 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.764 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 126' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -94.61 56.09 2.02 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.559 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 13.6 tpt -140.92 69.44 29.29 Favored Pre-proline 0 N--CA 1.473 0.68 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.177 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 128' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -75.04 154.35 42.25 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 122.191 1.927 . . . . 0.0 112.001 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 129' ' ' SER . . . . . . . . . . . . . 38.5 t -61.67 138.44 58.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.583 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 130' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -136.53 146.73 46.53 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.634 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 131' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -74.16 146.4 43.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.626 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 132' ' ' GLY . . . . . . . . . . . . . . . 163.5 147.41 5.05 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 133' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -139.41 149.36 43.99 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.863 0.363 . . . . 0.0 110.517 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 134' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -63.1 -41.4 99.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.639 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 135' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -125.76 145.68 50.1 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.606 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 136' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -140.46 106.7 5.24 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.525 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 137' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -160.92 71.33 2.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.465 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 138' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.42 133.46 58.2 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.629 2.22 . . . . 0.0 111.978 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 139' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -95.6 -21.27 18.35 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.425 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.615 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 mmt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 52.67 40.52 30.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.611 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.8 p -52.3 147.18 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.515 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -152.55 -9.61 0.18 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.35 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 27.6 ttt -81.59 130.86 35.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.512 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -100.49 136.95 39.57 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.744 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.86 143.17 25.18 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.529 ' C ' ' H ' ' A' ' 10' ' ' LYS . 9.4 mp -92.64 108.05 19.68 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 m 61.82 -5.27 0.16 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.762 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.529 ' H ' ' C ' ' A' ' 8' ' ' LEU . 65.4 tttp -72.73 -42.85 63.68 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.797 0.332 . . . . 0.0 110.703 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.22 145.81 55.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.677 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -151.21 141.17 22.03 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.509 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -65.8 135.54 55.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.451 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.1 163.15 48.93 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.413 HG22 ' H ' ' A' ' 15' ' ' VAL . 20.0 m -90.61 -10.83 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 120.748 0.309 . . . . 0.0 110.552 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.2 t -72.24 -65.8 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.698 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.71 93.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.904 0.383 . . . . 0.0 110.493 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.34 -19.48 63.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.826 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.64 -39.15 83.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.363 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -96.98 123.09 40.61 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -145.25 154.67 42.62 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 t -65.71 140.98 58.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.515 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -94.65 73.61 3.69 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.854 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.433 ' CD ' ' N ' ' A' ' 25' ' ' GLY . 1.0 OUTLIER -161.27 140.18 10.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.548 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.433 ' N ' ' CD ' ' A' ' 24' ' ' GLN . . . 77.27 16.16 80.81 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.1 m -56.98 171.28 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.894 0.378 . . . . 0.0 110.444 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.1 140.94 58.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.528 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 77.6 mm-40 -83.13 159.34 22.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.721 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 28' ' ' GLU . . . 74.07 -29.87 0.2 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.747 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.474 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -130.01 131.02 45.7 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.234 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.69 62.77 4.52 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.227 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -64.54 156.87 28.41 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.534 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 33' ' ' THR . 0.0 OUTLIER -65.22 101.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.942 -178.45 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -56.49 141.13 43.77 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.409 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -107.57 119.56 39.75 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.85 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.62 -112.94 0.01 OUTLIER Glycine 0 CA--C 1.52 0.349 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.413 HG12 ' H ' ' B' ' 37' ' ' VAL . 13.8 m -130.3 148.96 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 mt -117.37 130.97 56.85 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -126.02 116.69 21.83 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 120.796 0.331 . . . . 0.0 110.583 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.1 t -132.91 118.16 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.396 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.42 68.75 1.55 Allowed Glycine 0 CA--C 1.534 1.273 0 C-N-CA 120.414 -0.898 . . . . 0.0 111.341 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.8 m -136.35 136.29 39.54 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.483 ' HG2' ' HZ3' ' B' ' 43' ' ' LYS . 70.9 mmtt -118.86 126.49 51.92 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.7 m -130.74 126.84 37.47 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -139.15 136.0 34.64 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -140.66 115.01 9.32 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.686 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.12 75.24 0.69 Allowed Glycine 0 CA--C 1.525 0.656 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.208 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.0 t -139.6 137.62 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-O 120.831 0.348 . . . . 0.0 110.547 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.3 p -135.75 141.9 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 121.042 0.449 . . . . 0.0 110.88 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -144.61 118.73 9.45 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.925 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.25 134.62 8.94 Favored Glycine 0 N--CA 1.476 1.366 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.7 t -129.07 125.66 63.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.09 127.64 40.24 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.499 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.0 m -127.58 126.45 42.12 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.308 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 80.2 t -128.5 124.26 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.003 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.32 -75.55 0.48 Allowed 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.624 0.25 . . . . 0.0 111.021 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -58.11 -162.83 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' B' ' 58' ' ' LYS . 45.4 pttt -103.74 158.71 16.2 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.502 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 78.7 p -81.75 -36.96 27.97 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' B' ' 61' ' ' GLU . 33.4 tttp 72.67 68.1 0.12 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.628 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -99.29 83.71 2.89 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 120.715 0.293 . . . . 0.0 110.423 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -74.2 -81.73 0.06 Allowed 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.765 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.57 121.33 66.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-O 121.168 0.508 . . . . 0.0 110.912 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.0 m -124.26 126.8 46.68 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.108 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -130.76 115.74 17.05 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 120.919 0.39 . . . . 0.0 110.497 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.52 130.88 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.48 -58.35 3.12 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.07 -107.12 0.08 OUTLIER Glycine 0 CA--C 1.528 0.871 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.94 154.24 47.15 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 120.954 0.407 . . . . 0.0 110.699 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.82 131.54 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.06 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.8 t -127.24 123.75 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.901 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.0 p -125.86 146.39 49.84 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 120.768 0.318 . . . . 0.0 110.777 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.64 -126.98 7.06 Favored Glycine 0 N--CA 1.477 1.43 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.4 p -139.82 130.18 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 121.135 0.493 . . . . 0.0 111.078 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.6 m -130.54 127.97 40.19 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.515 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.78 138.86 37.99 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.178 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.417 HG22 HG12 ' B' ' 77' ' ' VAL . 3.1 m -140.41 143.92 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 120.925 0.393 . . . . 0.0 110.606 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -116.61 117.35 29.6 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.747 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.449 ' O ' ' O ' ' B' ' 78' ' ' ALA . 36.4 mt-30 -139.78 162.21 35.68 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -114.74 -61.88 1.68 Allowed 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -135.48 144.74 46.56 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.782 0.325 . . . . 0.0 110.713 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.85 143.96 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.575 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -146.78 144.14 29.16 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.713 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.12 131.47 1.63 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.85 126.78 30.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.84 0.352 . . . . 0.0 110.383 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.91 5.57 70.39 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.9 t -80.86 152.9 27.93 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.992 0.425 . . . . 0.0 110.826 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 5.3 pt -124.96 130.24 73.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.892 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.31 -60.54 2.05 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.853 0.359 . . . . 0.0 110.497 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.88 117.46 16.82 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.028 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.5 121.77 11.57 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.711 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.421 ' OG1' HG21 ' B' ' 71' ' ' VAL . 7.4 p -93.36 106.32 18.3 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.006 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.3 92.24 0.52 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -118.56 119.96 36.07 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.2 p -142.53 123.73 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 121.289 0.566 . . . . 0.0 110.637 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.496 ' NZ ' HD21 ' A' ' 103' ' ' ASN . 88.7 tttt -123.63 120.29 32.34 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.102 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -104.5 105.52 15.66 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.056 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' A' ' 98' ' ' ASP . 63.1 t0 -150.74 43.36 0.82 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.542 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 51.72 36.09 16.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.467 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 100' ' ' LEU . 10.8 mp 46.81 29.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.287 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.66 164.72 54.71 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -107.71 145.57 33.27 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 120.818 0.342 . . . . 0.0 110.655 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.496 HD21 ' NZ ' ' A' ' 96' ' ' LYS . 98.5 m-20 -95.4 7.59 45.74 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.611 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 56.17 97.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -81.51 160.08 24.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.731 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.82 158.53 34.4 Favored Glycine 0 N--CA 1.467 0.739 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -73.97 157.61 86.85 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.25 148.5 74.57 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 122.293 1.995 . . . . 0.0 111.747 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -81.81 159.26 23.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.796 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.86 156.52 17.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.317 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.77 158.91 46.58 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 84.5 mt -77.33 125.86 37.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.845 0.355 . . . . 0.0 110.659 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.458 HD23 ' H ' ' A' ' 113' ' ' LEU . 0.2 OUTLIER -95.86 -106.67 0.15 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.195 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.446 ' H ' ' CG ' ' A' ' 113' ' ' LEU . 76.6 mm-40 -105.63 162.57 13.39 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.678 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -58.66 -38.44 78.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.341 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.568 ' H ' ' CD ' ' A' ' 117' ' ' PRO . 0.5 OUTLIER -172.72 -44.1 0.0 OUTLIER Pre-proline 0 CA--C 1.544 0.736 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.401 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.568 ' CD ' ' H ' ' A' ' 116' ' ' MET . 53.0 Cg_exo -57.88 141.68 96.03 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 122.476 2.118 . . . . 0.0 112.171 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 27.2 m -128.81 152.13 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.237 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -131.57 75.18 77.16 Favored Pre-proline 0 N--CA 1.471 0.591 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.425 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -52.07 137.32 53.8 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 C-N-CA 122.575 2.184 . . . . 0.0 111.977 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 121' ' ' ASP . 66.7 t0 -138.42 -31.75 0.73 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.404 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -75.22 -8.28 56.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.926 0.393 . . . . 0.0 109.986 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -91.16 -3.57 56.91 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.683 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -55.84 139.1 46.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.864 0.364 . . . . 0.0 110.25 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.414 ' CG ' ' N ' ' A' ' 126' ' ' GLU . 25.7 t80 -157.77 177.37 11.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.399 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 125' ' ' TYR . 53.0 tp10 -60.86 -40.97 94.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.417 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 70.1 mtm -129.78 77.5 76.78 Favored Pre-proline 0 N--CA 1.476 0.84 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.82 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -54.35 136.91 70.66 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 122.796 2.331 . . . . 0.0 112.185 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 40.0 t -86.14 132.29 34.06 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.567 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -77.74 144.62 37.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.364 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.438 ' OE1' ' O ' ' A' ' 132' ' ' GLY . 15.6 tm-20 -86.68 132.34 33.9 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.824 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.438 ' O ' ' OE1' ' A' ' 131' ' ' GLU . . . -55.21 136.71 45.83 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -78.95 -3.89 47.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 0.0 110.568 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -61.23 -49.62 76.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.358 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 47.28 28.04 0.96 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.761 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 57.81 27.74 14.95 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.793 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 46.07 76.04 0.59 Allowed Pre-proline 0 C--N 1.333 -0.15 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.534 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -80.26 145.6 17.16 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.34 2.026 . . . . 0.0 112.268 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -63.3 -39.43 94.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.63 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.586 -179.884 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -80.37 113.14 18.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.471 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 62.3 t -75.72 118.11 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.0 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -69.56 -41.29 76.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.61 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 16.9 ptp -161.39 157.59 25.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.233 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -100.56 119.94 39.28 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.525 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.79 154.2 41.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 60.5 tp -106.38 119.59 39.66 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 120.798 0.333 . . . . 0.0 110.348 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 15.0 t 41.25 58.08 2.7 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.065 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.52 -42.97 97.5 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.554 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.75 149.24 49.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.431 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.479 ' N ' ' CD ' ' B' ' 12' ' ' LYS . 3.0 mptp? -63.06 138.9 58.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.107 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -93.52 136.9 33.33 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.454 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.23 -39.7 97.55 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 22.4 m -132.28 170.96 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 32.8 m -123.56 156.33 30.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.358 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.58 141.4 58.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.691 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.88 120.69 25.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.435 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.29 -19.5 65.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.548 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -59.47 -37.95 79.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.485 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -59.04 133.24 55.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.895 0.379 . . . . 0.0 110.442 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.416 ' H ' HG22 ' B' ' 22' ' ' THR . 0.7 OUTLIER -86.43 -30.43 22.09 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.824 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -68.84 140.6 55.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.486 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 51.94 42.48 30.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.508 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.2 -78.71 0.2 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 33.9 m -139.56 159.79 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-O 120.782 0.325 . . . . 0.0 110.518 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.05 118.34 8.97 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.274 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -90.42 137.87 32.01 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.479 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.98 131.68 43.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.724 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.61 131.13 46.4 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.311 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.8 63.15 4.22 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 120.604 -0.808 . . . . 0.0 111.16 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -64.93 156.91 29.57 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.492 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . 0.453 HG22 ' H ' ' B' ' 33' ' ' THR . 0.0 OUTLIER -65.33 101.23 0.54 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.94 -178.303 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -56.61 141.19 44.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.373 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -107.63 119.52 39.65 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.816 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.86 -112.8 0.01 OUTLIER Glycine 0 CA--C 1.52 0.367 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.413 ' H ' HG12 ' A' ' 37' ' ' VAL . 13.3 m -130.29 149.09 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 20.5 mt -117.49 130.83 56.7 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -125.92 116.83 22.13 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 120.714 0.293 . . . . 0.0 110.492 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 58.4 t -132.41 118.01 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.569 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.28 69.22 1.41 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 120.095 -1.05 . . . . 0.0 111.259 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 61.5 m -136.82 136.26 38.65 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.66 0.267 . . . . 0.0 110.367 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.483 ' HZ3' ' HG2' ' A' ' 43' ' ' LYS . 70.8 mmtt -118.64 126.6 52.29 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 89.4 m -131.04 126.69 36.55 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.355 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -138.88 135.96 35.04 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.192 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -140.58 115.22 9.5 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.618 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.7 76.34 0.6 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 96.6 t -140.56 137.52 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 120.753 0.311 . . . . 0.0 110.586 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -135.79 142.06 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 121.26 0.552 . . . . 0.0 110.954 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -144.47 118.91 9.65 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.989 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.26 134.71 8.97 Favored Glycine 0 N--CA 1.477 1.379 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 67.8 t -129.14 125.63 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.16 127.59 40.02 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.504 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 91.1 m -127.44 126.41 42.31 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.336 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 82.6 t -128.5 123.96 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.006 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.0 -76.29 0.46 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.622 0.249 . . . . 0.0 110.945 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -57.67 -163.23 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 44.8 pttt -103.36 158.58 16.24 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.468 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 77.9 p -81.48 -37.02 28.62 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' C' ' 61' ' ' GLU . 33.2 tttp 73.29 67.73 0.11 Allowed 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.571 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.462 ' O ' ' O ' ' A' ' 60' ' ' LYS . 94.5 mt-10 -99.63 83.23 2.74 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 122.123 -0.36 . . . . 0.0 110.483 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -73.58 -81.93 0.06 Allowed 'General case' 0 CA--C 1.527 0.076 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.999 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 63.0 t -118.26 121.22 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-O 121.084 0.468 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 92.8 m -124.28 126.74 46.56 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.147 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -130.46 115.61 17.07 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.823 0.344 . . . . 0.0 110.589 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 96.9 t -132.61 130.97 59.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.18 -58.81 3.07 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.76 -107.25 0.08 OUTLIER Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.78 154.25 47.34 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.983 0.42 . . . . 0.0 110.751 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.86 131.3 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-O 121.206 0.527 . . . . 0.0 111.203 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' VAL . . . . . 0.421 HG21 ' OG1' ' A' ' 92' ' ' THR . 58.8 t -126.93 123.78 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.965 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 75.8 p -125.96 146.33 49.91 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 120.938 0.399 . . . . 0.0 110.796 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.66 -126.84 6.99 Favored Glycine 0 N--CA 1.476 1.33 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.72 130.11 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-O 121.259 0.552 . . . . 0.0 111.21 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 90.5 m -130.36 128.02 40.59 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.644 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.58 138.7 38.18 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-O 120.817 0.342 . . . . 0.0 111.285 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.417 HG12 HG22 ' A' ' 77' ' ' VAL . 3.1 m -140.29 143.54 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.609 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.449 ' O ' ' O ' ' A' ' 79' ' ' GLN . . . -116.18 117.7 30.77 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' GLN . . . . . 0.441 ' O ' ' O ' ' C' ' 78' ' ' ALA . 35.9 mt-30 -140.13 161.92 36.49 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -114.53 -61.72 1.7 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -135.41 144.78 46.72 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.077 0.465 . . . . 0.0 110.858 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.77 143.8 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-O 121.013 0.435 . . . . 0.0 110.7 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -146.68 144.16 29.26 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.07 131.34 1.62 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.64 127.06 31.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.337 . . . . 0.0 110.426 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.64 5.69 69.33 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 29.9 t -80.83 153.08 27.88 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.037 0.446 . . . . 0.0 110.805 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . 0.411 HG21 HD13 ' B' ' 88' ' ' ILE . 5.1 pt -125.18 130.34 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.752 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.27 -60.86 1.96 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.854 0.359 . . . . 0.0 110.438 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.64 117.49 17.09 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.057 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.43 121.55 11.46 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.794 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.422 ' OG1' HG21 ' C' ' 71' ' ' VAL . 7.5 p -93.17 106.28 18.26 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.43 92.07 0.53 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -118.45 119.94 36.08 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -142.38 123.64 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 121.262 0.553 . . . . 0.0 110.637 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -123.65 119.96 31.38 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.046 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -106.38 113.32 26.77 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.635 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -97.38 -48.38 5.33 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.447 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 48.98 54.3 11.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.534 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.564 HD13 ' N ' ' B' ' 101' ' ' GLY . 0.2 OUTLIER -57.6 120.87 9.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.864 -179.748 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . 0.564 ' N ' HD13 ' B' ' 100' ' ' LEU . . . 85.66 -159.17 32.98 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -147.66 163.75 35.65 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.82 0.343 . . . . 0.0 110.758 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -63.5 142.88 58.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 58.17 71.6 0.57 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.539 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -62.86 -41.49 99.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.962 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.9 145.65 49.89 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.654 -0.979 . . . . 0.0 110.654 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.89 154.7 90.97 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 121.049 -0.261 . . . . 0.0 110.341 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -45.48 137.73 11.07 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 121.633 1.556 . . . . 0.0 111.938 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . 0.422 ' HG3' ' H ' ' B' ' 111' ' ' GLY . 69.7 tp60 -135.63 128.16 30.62 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 120.968 0.414 . . . . 0.0 109.921 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . 0.534 ' CD ' ' H ' ' B' ' 110' ' ' GLU . 18.2 pm0 -76.92 18.54 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.967 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . 0.422 ' H ' ' HG3' ' B' ' 109' ' ' GLN . . . 64.01 55.49 23.92 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ILE . . . . . 0.45 HG23 ' N ' ' B' ' 113' ' ' LEU . 20.4 tt -44.87 -38.49 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.685 0.279 . . . . 0.0 110.813 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.535 HD11 ' OD2' ' B' ' 115' ' ' ASP . 43.3 tp -116.29 113.44 22.98 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -63.88 -40.04 95.6 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.876 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . 0.535 ' OD2' HD11 ' B' ' 113' ' ' LEU . 3.5 p30 -82.8 167.64 17.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.391 . . . . 0.0 110.69 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 45.1 ttm -162.73 73.23 2.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.314 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -78.5 85.36 1.85 Allowed 'Trans proline' 0 N--CA 1.491 1.331 0 C-N-CA 122.216 1.944 . . . . 0.0 112.112 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 13.9 p -139.61 146.61 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.07 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 36.0 t0 52.23 71.05 1.58 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.787 0.327 . . . . 0.0 110.528 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.43 143.97 64.02 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 122.817 2.345 . . . . 0.0 112.136 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -150.22 154.08 37.35 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.247 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -67.64 129.81 41.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.566 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -89.45 -0.98 57.88 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.156 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.37 146.13 54.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.168 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 20.6 t80 66.96 4.91 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.734 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -131.33 134.92 46.81 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 120.831 0.348 . . . . 0.0 110.466 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' MET . . . . . . . . . . . . . 48.5 ttp -154.24 58.78 2.25 Favored Pre-proline 0 N--CA 1.464 0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.201 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -70.72 -22.59 27.48 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 122.619 2.213 . . . . 0.0 112.099 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 97.2 p -156.8 162.24 39.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.459 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -78.99 121.59 25.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.007 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -132.91 133.46 43.28 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.251 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 159.51 -174.65 36.4 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -86.06 138.03 32.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.715 0.293 . . . . 0.0 110.431 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -66.82 -24.5 66.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.621 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.34 138.87 58.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.554 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -105.34 -12.34 16.09 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.505 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 44.71 70.45 1.95 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.768 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.03 143.54 92.46 Favored 'Trans proline' 0 N--CA 1.501 1.943 0 C-N-CA 122.915 2.41 . . . . 0.0 112.171 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.25 -39.3 94.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.398 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.447 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.7 mmt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' C' ' 3' ' ' VAL . 96.9 m-20 53.93 40.89 32.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.514 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.548 HG12 ' N ' ' C' ' 4' ' ' PHE . 45.9 t 56.05 162.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.306 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.548 ' N ' HG12 ' C' ' 3' ' ' VAL . 70.0 m-85 -108.99 148.17 31.16 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.212 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' MET . . . . . 0.565 ' N ' ' SD ' ' C' ' 5' ' ' MET . 4.0 mpp? -65.49 -7.54 14.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.283 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -59.59 -37.74 79.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.248 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.36 -179.38 18.55 Favored Glycine 0 N--CA 1.475 1.298 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 58.5 tp -84.45 123.14 29.92 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.825 0.345 . . . . 0.0 110.507 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -104.36 136.44 43.94 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.103 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -134.84 -8.47 2.39 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.949 0.404 . . . . 0.0 110.454 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.71 -94.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt 55.14 68.73 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.141 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -47.19 135.11 10.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.341 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.17 147.5 47.22 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' VAL . . . . . . . . . . . . . 93.4 t -81.4 127.49 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.704 0.288 . . . . 0.0 110.432 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' VAL . . . . . 0.443 ' O ' HG13 ' C' ' 16' ' ' VAL . 12.7 p -111.15 130.88 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.383 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.0 143.36 26.8 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.711 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.57 141.88 53.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.659 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.79 -22.96 66.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.526 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 56.02 -107.22 0.37 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.393 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -134.11 148.31 50.98 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.599 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 85.1 m -88.81 131.25 35.16 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.349 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' C' ' 25' ' ' GLY . 86.6 tttt -66.66 91.09 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.288 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . 0.438 ' HG3' ' H ' ' C' ' 26' ' ' VAL . 65.8 tp60 59.83 -74.53 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.318 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' C' ' 23' ' ' LYS . . . 90.08 -9.73 76.38 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . 0.438 ' H ' ' HG3' ' C' ' 24' ' ' GLN . 18.6 t -136.54 108.62 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.85 -10.06 32.45 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.787 0.327 . . . . 0.0 110.656 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 56.05 68.73 0.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.663 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -146.69 165.52 29.35 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.859 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.25 131.06 53.5 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.205 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.04 63.16 4.16 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -64.96 156.87 29.81 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.005 0.431 . . . . 0.0 110.361 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' THR . . . . . 0.424 HG22 ' H ' ' C' ' 33' ' ' THR . 0.0 OUTLIER -65.47 101.18 0.56 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.991 -178.313 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -56.56 141.33 43.47 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.326 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -107.8 119.35 39.21 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.823 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.78 -112.81 0.01 OUTLIER Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' VAL . . . . . 0.413 HG12 ' H ' ' D' ' 37' ' ' VAL . 13.1 m -130.23 148.97 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 mt -117.37 130.66 56.64 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -126.02 116.93 22.21 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 120.734 0.302 . . . . 0.0 110.333 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -132.21 118.4 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.476 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.93 69.67 1.29 Allowed Glycine 0 CA--C 1.531 1.048 0 C-N-CA 120.122 -1.037 . . . . 0.0 111.118 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 61.8 m -137.14 136.19 38.04 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 120.707 0.289 . . . . 0.0 110.44 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . 0.46 ' HZ3' ' HG2' ' B' ' 43' ' ' LYS . 70.7 mmtt -118.36 126.57 52.37 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 88.9 m -131.29 126.8 36.31 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.383 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -138.88 135.83 34.89 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.128 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -140.53 115.5 9.73 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.585 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.4 76.7 0.56 Allowed Glycine 0 CA--C 1.522 0.529 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.007 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 96.8 t -140.97 137.57 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 120.724 0.297 . . . . 0.0 110.499 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -135.97 142.29 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 121.22 0.533 . . . . 0.0 110.889 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -144.45 119.14 9.8 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.995 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.43 134.82 8.98 Favored Glycine 0 N--CA 1.476 1.361 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 69.4 t -129.36 125.51 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.05 127.49 40.0 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.599 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 90.6 m -127.26 126.46 42.72 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.295 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 80.9 t -128.45 124.04 61.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.015 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.05 -76.81 0.45 Allowed 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.599 0.238 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -57.46 -163.45 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.808 0.337 . . . . 0.0 110.172 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' LYS . . . . . 0.443 ' CB ' ' O ' ' B' ' 58' ' ' LYS . 44.4 pttt -103.25 158.52 16.26 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.508 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' THR . . . . . . . . . . . . . 77.0 p -81.18 -37.12 29.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.917 0.389 . . . . 0.0 110.139 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' D' ' 61' ' ' GLU . 33.1 tttp 73.53 67.64 0.1 Allowed 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.557 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' B' ' 60' ' ' LYS . 94.7 mt-10 -99.71 82.92 2.68 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 122.124 -0.36 . . . . 0.0 110.59 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -73.31 -82.15 0.05 Allowed 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.034 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' VAL . . . . . . . . . . . . . 64.0 t -117.93 121.13 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-O 121.024 0.44 . . . . 0.0 110.878 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 92.6 m -124.17 126.83 46.83 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.077 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -130.52 115.63 17.06 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 120.807 0.337 . . . . 0.0 110.465 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 95.8 t -132.68 130.88 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.99 -58.96 3.07 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.72 -107.35 0.07 OUTLIER Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.67 154.38 47.5 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.976 0.417 . . . . 0.0 110.689 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 p -140.0 131.38 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.206 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' VAL . . . . . 0.422 HG21 ' OG1' ' B' ' 92' ' ' THR . 57.4 t -127.02 123.78 63.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.041 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 74.3 p -126.02 146.37 49.92 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 120.867 0.365 . . . . 0.0 110.819 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.67 -126.76 6.96 Favored Glycine 0 N--CA 1.476 1.33 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.87 130.08 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-O 121.294 0.568 . . . . 0.0 111.189 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 75' ' ' THR . . . . . . . . . . . . . 89.9 m -130.35 128.2 40.95 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.596 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.64 138.61 37.98 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 120.815 0.34 . . . . 0.0 111.265 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 77' ' ' VAL . . . . . 0.413 HG12 HG22 ' B' ' 77' ' ' VAL . 3.1 m -140.14 143.28 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 O-C-N 122.035 -0.415 . . . . 0.0 110.676 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 78' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' B' ' 79' ' ' GLN . . . -115.82 117.67 30.86 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 79' ' ' GLN . . . . . 0.437 ' O ' ' O ' ' D' ' 78' ' ' ALA . 35.8 mt-30 -140.29 161.72 37.0 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -114.36 -61.69 1.71 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -135.48 144.75 46.57 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.01 0.433 . . . . 0.0 110.931 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.68 143.75 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-O 121.023 0.439 . . . . 0.0 110.719 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -146.74 144.09 29.16 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.09 131.43 1.63 Allowed Glycine 0 N--CA 1.467 0.708 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.75 127.39 32.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.874 0.368 . . . . 0.0 110.347 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.38 5.75 68.14 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 30.3 t -80.82 153.04 27.92 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.997 0.427 . . . . 0.0 110.788 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 88' ' ' ILE . . . . . 0.404 HG21 HD13 ' C' ' 88' ' ' ILE . 5.0 pt -125.16 130.45 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.713 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.29 -61.14 1.88 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.817 0.342 . . . . 0.0 110.336 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.39 117.46 17.28 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.082 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.36 121.55 11.51 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.922 0.391 . . . . 0.0 110.774 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . 0.421 ' OG1' HG21 ' D' ' 71' ' ' VAL . 7.6 p -93.1 106.23 18.22 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.44 92.16 0.53 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -118.57 120.02 36.23 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -142.27 123.66 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-O 121.257 0.551 . . . . 0.0 110.592 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 96' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -123.94 120.82 33.63 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.211 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -101.38 120.77 40.77 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.813 0.34 . . . . 0.0 110.422 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 98' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 52.89 175.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.718 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -149.66 138.48 21.01 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.319 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 100' ' ' LEU . . . . . 0.479 ' N ' ' CG ' ' D' ' 98' ' ' ASP . 60.0 tp -61.38 -44.98 96.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.357 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.44 145.75 49.63 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 35.9 pttt -155.73 -110.54 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 103' ' ' ASN . . . . . . . . . . . . . 64.2 t30 56.37 62.61 2.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 110.598 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 104' ' ' GLU . . . . . 0.426 ' HG2' ' H ' ' C' ' 106' ' ' GLY . 78.5 tt0 -44.81 143.47 1.42 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.339 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 55.0 mp0 -78.77 6.18 9.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.074 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 106' ' ' GLY . . . . . 0.426 ' H ' ' HG2' ' C' ' 104' ' ' GLU . . . 89.07 168.73 44.04 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.82 154.7 91.08 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 108' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.4 149.51 69.29 Favored 'Trans proline' 0 N--CA 1.499 1.805 0 C-N-CA 122.232 1.954 . . . . 0.0 111.57 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -91.07 98.39 11.74 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 120.923 0.392 . . . . 0.0 110.559 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 110' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -136.64 -27.4 1.04 Allowed 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.482 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 111' ' ' GLY . . . . . . . . . . . . . . . 95.11 137.21 8.89 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 112' ' ' ILE . . . . . . . . . . . . . 35.0 pt -71.38 -6.62 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.006 0.432 . . . . 0.0 110.67 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.21 -21.19 66.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.017 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 114' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -59.1 -22.27 60.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.793 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 55.8 p-10 -75.53 160.93 29.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.639 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' MET . . . . . . . . . . . . . 65.1 mtt -134.63 65.62 67.44 Favored Pre-proline 0 N--CA 1.47 0.563 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.418 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.04 -10.45 24.56 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.489 2.126 . . . . 0.0 112.056 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 28.7 m -131.17 150.6 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.576 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 24.1 t70 42.53 71.44 1.4 Allowed Pre-proline 0 N--CA 1.464 0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -51.68 -39.56 66.29 Favored 'Trans proline' 0 N--CA 1.498 1.748 0 C-N-CA 122.622 2.214 . . . . 0.0 111.82 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.5 141.56 56.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.336 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' C' ' 124' ' ' ALA . 52.7 p-10 -155.53 161.61 40.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.345 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 48.88 11.0 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.391 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 124' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' C' ' 122' ' ' ASN . . . -62.76 -43.06 99.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.822 0.344 . . . . 0.0 110.74 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 125' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -82.0 -25.74 34.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.645 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -76.42 125.23 28.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.748 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 127' ' ' MET . . . . . 0.468 ' N ' ' CD ' ' C' ' 128' ' ' PRO . 11.6 ptp -173.49 51.78 0.12 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.477 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 128' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' C' ' 127' ' ' MET . 58.3 Cg_endo -68.49 -36.08 16.13 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 122.558 2.172 . . . . 0.0 112.193 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 86.1 p -164.45 170.56 15.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.519 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 130' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -135.08 32.26 3.19 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.637 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 45.4 mp0 49.51 63.19 2.26 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.036 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 132' ' ' GLY . . . . . . . . . . . . . . . 91.71 155.89 32.21 Favored Glycine 0 N--CA 1.465 0.616 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 133' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -98.06 138.99 34.54 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.881 0.372 . . . . 0.0 110.6 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 134' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -151.63 143.43 23.73 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.482 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 135' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -82.53 155.65 24.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.691 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 136' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -151.67 148.88 28.47 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.53 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 137' ' ' GLU . . . . . . . . . . . . . 41.1 tp10 -165.71 77.31 1.25 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 138' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -54.61 145.99 56.21 Favored 'Trans proline' 0 N--CA 1.499 1.828 0 C-N-CA 122.674 2.249 . . . . 0.0 111.967 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 139' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -58.23 141.88 49.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.167 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.563 -179.735 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.473 ' H2 ' ' H ' ' D' ' 2' ' ' ASP . 28.8 tpp . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' ASP . . . . . 0.473 ' H ' ' H2 ' ' D' ' 1' ' ' MET . 97.1 m-20 -79.7 -10.92 59.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.846 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.07 -3.94 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-O 120.779 0.324 . . . . 0.0 110.402 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 32.5 t80 64.38 84.06 0.16 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.633 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' MET . . . . . . . . . . . . . 30.7 tpp 65.29 153.87 0.07 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.457 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 64.9 mttp 52.83 46.28 27.06 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.608 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.88 -138.76 2.77 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.535 HD22 ' N ' ' D' ' 8' ' ' LEU . 3.8 mm? 56.72 -109.73 0.51 Allowed 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 73.7 m -87.07 -9.48 55.34 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.727 0.298 . . . . 0.0 110.809 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -84.23 124.02 30.75 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -133.6 -77.01 0.48 Allowed 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.005 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -170.06 142.74 2.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.515 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -142.36 135.93 29.11 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.336 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' D' ' 15' ' ' VAL . . . 57.04 -137.04 49.82 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' D' ' 14' ' ' GLY . 36.3 t 40.99 96.81 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 120.718 0.294 . . . . 0.0 111.196 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 32.0 m -129.46 146.21 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.504 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.92 98.09 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' ALA . . . . . 0.403 ' H ' ' H ' ' D' ' 19' ' ' ALA . . . -176.55 -17.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.521 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' ALA . . . . . 0.403 ' H ' ' H ' ' D' ' 18' ' ' ALA . . . -62.71 141.21 58.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.586 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 60.42 39.21 18.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.354 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -62.46 -26.21 68.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.701 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 95.2 m -88.29 124.75 34.19 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.335 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' D' ' 25' ' ' GLY . 2.3 mptp? -81.8 126.34 31.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.244 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 42.59 -92.85 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.736 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' D' ' 23' ' ' LYS . . . 175.22 -69.44 0.09 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 14.4 p -150.28 146.0 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 120.751 0.31 . . . . 0.0 110.438 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -126.57 132.78 51.23 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.388 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -79.87 -67.62 0.75 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.587 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . 41.36 65.56 0.81 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.11 131.54 49.02 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.781 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.06 63.22 4.12 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -64.9 156.79 29.86 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.415 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' THR . . . . . 0.433 ' H ' HG22 ' D' ' 33' ' ' THR . 0.0 OUTLIER -65.41 101.16 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.974 -178.3 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -56.61 141.38 43.53 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.373 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -107.93 119.29 39.05 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.844 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.72 -112.97 0.01 OUTLIER Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' VAL . . . . . 0.413 ' H ' HG12 ' C' ' 37' ' ' VAL . 13.3 m -130.09 148.97 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 20.1 mt -117.27 130.5 56.6 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -125.97 116.94 22.25 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 120.68 0.276 . . . . 0.0 110.406 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 58.8 t -132.04 118.73 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.452 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.49 70.01 1.2 Allowed Glycine 0 CA--C 1.532 1.115 0 C-N-CA 120.147 -1.025 . . . . 0.0 111.084 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 63.3 m -137.29 136.17 37.79 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.697 0.284 . . . . 0.0 110.465 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 43' ' ' LYS . . . . . 0.436 ' HZ3' ' HG2' ' C' ' 43' ' ' LYS . 70.6 mmtt -118.17 126.69 52.72 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 89.6 m -131.59 126.72 35.5 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.21 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -138.8 135.67 34.86 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.133 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -140.41 115.75 9.97 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.516 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.33 76.87 0.55 Allowed Glycine 0 CA--C 1.523 0.533 0 C-N-CA 120.433 -0.889 . . . . 0.0 111.003 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 48' ' ' VAL . . . . . . . . . . . . . 96.5 t -141.23 137.53 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 120.651 0.262 . . . . 0.0 110.529 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.03 142.56 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-O 121.289 0.566 . . . . 0.0 110.843 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 50' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -144.49 119.3 9.88 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.973 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.6 134.99 9.0 Favored Glycine 0 N--CA 1.476 1.337 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 52' ' ' VAL . . . . . . . . . . . . . 69.2 t -129.53 125.53 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.03 127.42 39.91 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.641 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 54' ' ' THR . . . . . . . . . . . . . 91.0 m -127.27 126.48 42.74 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.231 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 55' ' ' VAL . . . . . . . . . . . . . 83.3 t -128.38 123.97 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.063 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.89 -77.24 0.43 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.82 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -57.35 -163.78 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.237 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 58' ' ' LYS . . . . . 0.451 ' O ' ' CB ' ' E' ' 58' ' ' LYS . 44.4 pttt -102.84 158.44 16.26 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.527 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 59' ' ' THR . . . . . . . . . . . . . 75.5 p -81.15 -37.02 29.5 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.892 0.377 . . . . 0.0 110.176 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 60' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' E' ' 61' ' ' GLU . 33.0 tttp 73.6 67.44 0.1 Allowed 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.499 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . 0.456 ' O ' ' O ' ' C' ' 60' ' ' LYS . 94.9 mt-10 -99.69 82.85 2.67 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 120.8 0.334 . . . . 0.0 110.652 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -73.2 -82.32 0.05 Allowed 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.996 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 63' ' ' VAL . . . . . . . . . . . . . 65.2 t -117.65 121.08 66.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-O 120.975 0.417 . . . . 0.0 110.847 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 91.8 m -124.06 126.79 46.85 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.172 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 65' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -130.36 115.54 17.04 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.873 0.368 . . . . 0.0 110.524 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 94.6 t -132.72 130.88 59.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.8 -59.14 3.07 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.79 -107.28 0.08 OUTLIER Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.59 154.43 47.6 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.974 0.416 . . . . 0.0 110.704 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.15 131.47 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-O 121.212 0.53 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 71' ' ' VAL . . . . . 0.421 HG21 ' OG1' ' C' ' 92' ' ' THR . 58.0 t -127.02 123.75 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.134 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 72' ' ' THR . . . . . . . . . . . . . 74.4 p -126.07 146.27 49.98 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 120.936 0.398 . . . . 0.0 110.815 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.75 -126.67 6.92 Favored Glycine 0 N--CA 1.476 1.317 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.81 130.06 30.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 121.257 0.551 . . . . 0.0 111.28 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 75' ' ' THR . . . . . . . . . . . . . 88.8 m -130.29 128.28 41.22 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.69 138.6 37.9 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 120.763 0.316 . . . . 0.0 111.307 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 77' ' ' VAL . . . . . 0.407 HG12 HG22 ' C' ' 77' ' ' VAL . 3.1 m -140.05 143.1 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 122.011 -0.431 . . . . 0.0 110.736 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 78' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' C' ' 79' ' ' GLN . . . -115.65 117.66 30.91 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.592 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 79' ' ' GLN . . . . . 0.437 ' O ' ' O ' ' E' ' 78' ' ' ALA . 35.7 mt-30 -140.36 161.53 37.48 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -114.24 -61.54 1.73 Allowed 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -135.56 144.92 46.49 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.943 0.401 . . . . 0.0 110.95 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.77 143.66 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 121.008 0.433 . . . . 0.0 110.747 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -146.67 144.2 29.31 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.956 0.407 . . . . 0.0 110.918 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.92 131.5 1.65 Allowed Glycine 0 N--CA 1.466 0.633 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.7 127.47 32.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.825 0.345 . . . . 0.0 110.377 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.2 5.83 67.4 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 30.6 t -80.83 153.01 27.92 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.013 0.435 . . . . 0.0 110.781 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 88' ' ' ILE . . . . . . . . . . . . . 4.9 pt -125.12 130.65 73.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.695 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.48 -61.06 1.89 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.737 0.303 . . . . 0.0 110.308 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.38 117.41 17.24 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.093 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.31 121.62 11.6 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.9 0.381 . . . . 0.0 110.784 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 92' ' ' THR . . . . . 0.424 ' OG1' HG21 ' E' ' 71' ' ' VAL . 8.0 p -93.11 106.27 18.25 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.4 92.29 0.52 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 94' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -118.6 120.01 36.2 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -142.12 123.58 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 121.272 0.558 . . . . 0.0 110.604 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 96' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -123.57 120.79 33.86 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.338 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 97' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -105.67 92.04 4.01 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.111 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 98' ' ' ASP . . . . . 0.479 ' CG ' ' N ' ' C' ' 100' ' ' LEU . 8.9 t0 -80.79 -38.46 28.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.363 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 99' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 58.89 -165.24 0.19 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.4 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 100' ' ' LEU . . . . . 0.62 HD23 ' N ' ' D' ' 100' ' ' LEU . 0.7 OUTLIER -158.72 -178.19 7.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.857 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.76 111.72 1.59 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 102' ' ' LYS . . . . . 0.513 ' NZ ' ' O ' ' E' ' 101' ' ' GLY . 68.7 mttm -120.04 105.37 10.97 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 120.81 0.338 . . . . 0.0 110.306 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 103' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -94.15 -11.94 29.39 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.641 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 104' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.5 -43.76 96.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.232 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 105' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.25 -41.3 99.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.385 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 106' ' ' GLY . . . . . . . . . . . . . . . 64.01 -144.19 48.47 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.31 154.45 93.67 Favored Pre-proline 0 CA--C 1.54 0.587 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 108' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.8 156.39 60.7 Favored 'Trans proline' 0 N--CA 1.501 1.943 0 C-N-CA 122.433 2.089 . . . . 0.0 111.854 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 109' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -148.42 -67.1 0.24 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.858 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 110' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -95.82 47.62 1.11 Allowed 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.208 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.32 -41.17 91.7 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 121.298 -0.477 . . . . 0.0 111.971 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 112' ' ' ILE . . . . . . . . . . . . . 77.9 mt 43.21 78.88 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 120.955 0.407 . . . . 0.0 110.642 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.556 HD12 ' N ' ' D' ' 113' ' ' LEU . 10.4 mp -81.33 147.74 29.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.087 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 114' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -65.84 116.01 6.56 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.205 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 115' ' ' ASP . . . . . . . . . . . . . 55.2 p30 -83.15 -179.24 7.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.484 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 116' ' ' MET . . . . . . . . . . . . . 77.8 mtm -70.4 151.7 95.64 Favored Pre-proline 0 CA--C 1.538 0.488 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.556 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 117' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -43.45 110.92 0.2 Allowed 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 121.966 1.778 . . . . 0.0 112.721 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 118' ' ' VAL . . . . . . . . . . . . . 55.1 t -136.82 122.95 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.109 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 42.73 66.69 4.11 Favored Pre-proline 0 N--CA 1.463 0.184 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.934 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 120' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -52.79 130.37 36.98 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 122.439 2.093 . . . . 0.0 112.269 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 121' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -95.63 -9.21 32.72 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.34 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 122' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -92.93 74.39 4.81 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.479 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 123' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.09 -43.85 97.94 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.459 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 124' ' ' ALA . . . . . . . . . . . . . . . -93.85 149.97 20.78 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.687 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 125' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -59.61 -48.57 81.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.476 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 126' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -72.34 142.47 48.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.164 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 127' ' ' MET . . . . . . . . . . . . . 77.7 mtm -70.73 150.07 95.28 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.458 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 128' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -70.7 151.31 63.59 Favored 'Trans proline' 0 N--CA 1.499 1.825 0 C-N-CA 122.36 2.04 . . . . 0.0 111.835 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 129' ' ' SER . . . . . . . . . . . . . 40.3 t -65.4 136.64 56.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.588 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 130' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.24 -39.64 94.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.625 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 131' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.37 135.59 57.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.492 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . -148.56 -74.67 0.02 OUTLIER Glycine 0 N--CA 1.465 0.596 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 133' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -147.98 108.59 4.16 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.828 0.347 . . . . 0.0 110.489 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 134' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -163.58 144.94 9.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.513 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 135' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -170.84 23.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.961 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 136' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -132.96 14.08 4.29 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.37 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 137' ' ' GLU . . . . . 0.587 ' N ' ' CD ' ' D' ' 138' ' ' PRO . 5.6 mt-10 -77.91 -38.75 1.74 Allowed Pre-proline 0 CA--C 1.542 0.648 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.443 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 138' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' D' ' 137' ' ' GLU . 92.5 Cg_endo -87.93 -68.27 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.305 0 C-N-CA 122.439 2.093 . . . . 0.0 112.505 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 139' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 49.01 30.22 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 0.0 110.342 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.634 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 73.3 mmm . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 2' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -81.91 108.15 15.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.366 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 72.8 t -61.27 -45.61 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.406 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.441 ' CG ' HD21 ' E' ' 8' ' ' LEU . 98.3 m-85 -105.27 112.96 26.27 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.896 0.379 . . . . 0.0 110.594 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 5' ' ' MET . . . . . . . . . . . . . 63.0 mtt -66.3 -34.65 78.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.415 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.5 -26.71 67.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.476 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.32 15.63 76.06 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . 0.441 HD21 ' CG ' ' E' ' 4' ' ' PHE . 22.8 mt 56.36 41.97 28.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.928 0.394 . . . . 0.0 110.166 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 72.5 p -87.09 31.01 0.73 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.408 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 10' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -63.37 -14.29 48.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.307 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.26 84.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.103 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -89.06 149.87 23.02 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.235 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 13' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -148.19 10.71 0.89 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.668 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.94 143.31 10.28 Favored Glycine 0 N--CA 1.466 0.672 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 15' ' ' VAL . . . . . . . . . . . . . 73.5 t -129.5 124.74 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-O 120.717 0.294 . . . . 0.0 110.244 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 16.3 m -105.14 -20.55 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.25 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 17' ' ' ALA . . . . . . . . . . . . . . . -161.18 153.35 19.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.473 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.75 -140.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.402 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.86 136.86 57.06 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -84.65 119.36 25.14 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.47 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' LYS . . . . . 0.411 ' C ' ' N ' ' E' ' 23' ' ' LYS . 65.1 tttp -159.51 109.4 1.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.221 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 22' ' ' THR . . . . . . . . . . . . . 43.1 p 45.26 20.77 0.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.846 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 23' ' ' LYS . . . . . 0.411 ' N ' ' C ' ' E' ' 21' ' ' LYS . 37.7 ttmt -86.21 100.04 11.96 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.793 0.33 . . . . 0.0 110.62 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -65.66 -41.69 92.23 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.555 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.74 65.38 3.48 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 26' ' ' VAL . . . . . . . . . . . . . 62.5 t -74.13 -90.1 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.134 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 27' ' ' ALA . . . . . . . . . . . . . . . 40.76 52.27 3.15 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.131 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 28' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -142.94 127.71 18.19 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.756 0.313 . . . . 0.0 110.57 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 29' ' ' ALA . . . . . . . . . . . . . . . 42.05 79.21 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.123 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.32 131.71 46.98 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.575 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.14 63.09 4.19 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 32' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -64.78 156.79 29.47 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.418 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 33' ' ' THR . . . . . 0.433 ' H ' HG22 ' E' ' 33' ' ' THR . 0.0 OUTLIER -65.49 101.13 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.035 -178.262 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 34' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -56.59 141.6 42.62 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.312 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 35' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -108.11 119.29 39.06 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.782 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.8 -113.04 0.01 OUTLIER Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.346 -1.101 . . . . 0.0 110.346 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 37' ' ' VAL . . . . . 0.409 ' H ' HG12 ' D' ' 37' ' ' VAL . 13.1 m -130.06 148.88 33.16 Favored 'Isoleucine or valine' 0 C--O 1.241 0.638 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 38' ' ' LEU . . . . . . . . . . . . . 20.1 mt -117.12 130.39 56.6 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 39' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -125.93 117.0 22.37 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 120.697 0.284 . . . . 0.0 110.327 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 60.5 t -131.91 118.83 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.487 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.19 70.13 1.17 Allowed Glycine 0 CA--C 1.528 0.896 0 C-N-CA 120.142 -1.027 . . . . 0.0 111.164 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 64.3 m -137.27 136.1 37.74 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-O 120.701 0.286 . . . . 0.0 110.474 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 43' ' ' LYS . . . . . 0.409 ' HZ3' ' HG2' ' D' ' 43' ' ' LYS . 70.5 mmtt -117.99 126.66 52.74 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 44' ' ' THR . . . . . . . . . . . . . 88.7 m -131.71 126.56 34.84 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 120.794 0.33 . . . . 0.0 110.335 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 45' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -138.72 135.59 34.92 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.176 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -140.28 115.87 10.12 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.471 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.3 77.19 0.53 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 48' ' ' VAL . . . . . . . . . . . . . 96.9 t -141.61 137.6 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 120.785 0.326 . . . . 0.0 110.486 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.1 142.67 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 121.237 0.542 . . . . 0.0 110.858 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 50' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -144.46 119.42 9.99 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.049 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.64 135.14 9.06 Favored Glycine 0 N--CA 1.476 1.313 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 52' ' ' VAL . . . . . . . . . . . . . 73.0 t -129.64 125.54 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.04 127.46 39.98 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.67 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 54' ' ' THR . . . . . . . . . . . . . 91.6 m -127.26 126.43 42.67 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.234 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 55' ' ' VAL . . . . . . . . . . . . . 83.8 t -128.34 123.84 60.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.049 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.68 -77.6 0.42 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.779 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -57.19 -163.89 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 120.764 0.316 . . . . 0.0 110.283 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 58' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' F' ' 58' ' ' LYS . 44.6 pttt -102.72 158.44 16.25 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.583 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 59' ' ' THR . . . . . . . . . . . . . 77.1 p -81.16 -36.88 29.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.892 0.377 . . . . 0.0 110.262 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 60' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' F' ' 61' ' ' GLU . 32.8 tttp 73.63 67.25 0.1 Allowed 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.558 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 61' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' D' ' 60' ' ' LYS . 95.1 mt-10 -99.71 82.51 2.62 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 120.814 0.34 . . . . 0.0 110.663 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -72.82 -82.57 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.03 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 63' ' ' VAL . . . . . . . . . . . . . 66.5 t -117.45 121.07 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-O 120.937 0.398 . . . . 0.0 110.842 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 90.7 m -123.91 126.73 46.88 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.223 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 65' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -130.32 115.46 16.95 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.838 0.351 . . . . 0.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 66' ' ' VAL . . . . . . . . . . . . . 93.3 t -132.78 130.8 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.54 -59.16 3.12 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.91 -107.36 0.08 OUTLIER Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.45 154.44 47.75 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.858 0.361 . . . . 0.0 110.633 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.24 131.54 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 CA-C-O 121.213 0.53 . . . . 0.0 111.072 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 71' ' ' VAL . . . . . 0.424 HG21 ' OG1' ' D' ' 92' ' ' THR . 58.2 t -127.09 123.84 63.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.017 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 72' ' ' THR . . . . . . . . . . . . . 70.3 p -126.0 146.28 49.95 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 120.913 0.387 . . . . 0.0 110.856 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.64 -126.67 6.93 Favored Glycine 0 N--CA 1.475 1.246 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.84 130.11 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 121.252 0.549 . . . . 0.0 111.295 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 75' ' ' THR . . . . . . . . . . . . . 88.7 m -130.29 128.37 41.41 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.611 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.72 138.79 38.02 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-O 120.804 0.335 . . . . 0.0 111.175 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 77' ' ' VAL . . . . . 0.404 HG12 HG22 ' D' ' 77' ' ' VAL . 3.1 m -140.17 142.93 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 O-C-N 121.955 -0.466 . . . . 0.0 110.731 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 78' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' D' ' 79' ' ' GLN . . . -115.45 117.62 30.88 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 79' ' ' GLN . . . . . 0.439 ' O ' ' O ' ' F' ' 78' ' ' ALA . 35.5 mt-30 -140.41 161.35 37.92 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 80' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -114.07 -61.28 1.77 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -135.86 144.93 45.88 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.995 0.426 . . . . 0.0 110.889 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.67 143.67 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-O 121.032 0.444 . . . . 0.0 110.719 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -146.65 144.11 29.26 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.007 0.432 . . . . 0.0 110.932 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.93 131.37 1.63 Allowed Glycine 0 N--CA 1.465 0.624 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.58 127.57 32.94 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.418 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.2 5.88 67.55 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 30.4 t -80.94 153.02 27.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.001 0.429 . . . . 0.0 110.774 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 88' ' ' ILE . . . . . . . . . . . . . 4.8 pt -125.12 130.44 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.756 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.33 -60.95 1.93 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.746 0.308 . . . . 0.0 110.332 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.44 117.5 17.28 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.114 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.4 121.65 11.56 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.963 0.411 . . . . 0.0 110.827 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 92' ' ' THR . . . . . 0.425 ' OG1' HG21 ' F' ' 71' ' ' VAL . 8.5 p -92.99 106.17 18.16 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.37 92.45 0.52 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 94' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -118.7 119.91 35.86 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -141.98 123.46 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-O 121.271 0.557 . . . . 0.0 110.617 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 96' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -123.89 121.38 35.18 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.052 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 97' ' ' LYS . . . . . 0.498 ' NZ ' ' CG ' ' E' ' 99' ' ' GLN . 58.1 tttm -122.6 127.53 49.53 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.315 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 98' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -128.22 101.1 6.1 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 120.742 0.306 . . . . 0.0 111.502 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 99' ' ' GLN . . . . . 0.498 ' CG ' ' NZ ' ' E' ' 97' ' ' LYS . 68.7 mt-30 -73.52 -40.48 63.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.033 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 100' ' ' LEU . . . . . . . . . . . . . 44.0 tp -133.19 126.16 31.0 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.903 0.382 . . . . 0.0 110.199 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 101' ' ' GLY . . . . . 0.513 ' O ' ' NZ ' ' D' ' 102' ' ' LYS . . . -170.67 169.37 42.32 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 102' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -156.71 150.26 24.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.831 0.348 . . . . 0.0 110.716 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 103' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -105.34 139.7 39.58 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.601 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 104' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' E' ' 106' ' ' GLY . 99.0 mt-10 -78.71 50.82 1.02 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.442 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 105' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 53.43 10.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 106' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' E' ' 104' ' ' GLU . . . 64.41 30.93 79.21 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.576 -1.009 . . . . 0.0 110.576 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.37 153.15 83.29 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 108' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.98 152.52 73.31 Favored 'Trans proline' 0 N--CA 1.499 1.821 0 C-N-CA 122.333 2.022 . . . . 0.0 111.921 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 109' ' ' GLN . . . . . 0.474 ' CD ' ' H ' ' E' ' 109' ' ' GLN . 24.4 mp0 -71.09 147.85 48.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.443 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 110' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -62.07 -42.69 99.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.537 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 111' ' ' GLY . . . . . . . . . . . . . . . 45.73 55.39 7.19 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 112' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.95 -47.49 91.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.309 . . . . 0.0 110.406 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 113' ' ' LEU . . . . . . . . . . . . . 32.6 mt 44.48 53.77 6.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.831 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 114' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -57.47 135.72 56.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.684 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 115' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -121.26 9.8 10.49 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 116' ' ' MET . . . . . . . . . . . . . 47.0 ttm -137.21 71.23 54.59 Favored Pre-proline 0 N--CA 1.474 0.759 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.545 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 117' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -75.35 149.91 35.96 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.991 1.794 . . . . 0.0 112.027 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 118' ' ' VAL . . . . . . . . . . . . . 91.7 t -115.33 118.04 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.386 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 119' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' E' ' 119' ' ' ASP . 18.5 p-10 -154.97 69.5 5.65 Favored Pre-proline 0 N--CA 1.465 0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.745 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 120' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -78.64 -160.34 0.12 Allowed 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.532 2.155 . . . . 0.0 111.933 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 121' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -57.63 -37.87 74.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.603 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 122' ' ' ASN . . . . . . . . . . . . . 65.3 t30 58.64 45.81 15.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.75 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 123' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -67.01 139.82 57.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.061 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.01 116.14 3.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.917 0.389 . . . . 0.0 110.689 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 125' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -61.4 -46.67 89.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.69 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 126' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -54.08 142.8 24.1 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.773 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 127' ' ' MET . . . . . . . . . . . . . 59.7 ttp -146.42 73.55 12.9 Favored Pre-proline 0 N--CA 1.464 0.27 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.497 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 128' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -54.86 138.71 77.81 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 122.586 2.191 . . . . 0.0 111.857 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 129' ' ' SER . . . . . . . . . . . . . 67.4 m -69.59 142.14 53.6 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.354 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 130' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -134.31 139.88 46.0 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.527 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 131' ' ' GLU . . . . . 0.55 ' CD ' ' H ' ' E' ' 131' ' ' GLU . 16.3 pm0 -74.66 147.81 41.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.599 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 132' ' ' GLY . . . . . . . . . . . . . . . 157.19 -126.22 1.71 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 133' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -63.48 -36.72 84.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.582 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 134' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -70.07 152.39 44.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.662 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 135' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 57.86 -148.52 0.48 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.657 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 136' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -96.41 147.33 23.93 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.163 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 137' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -139.47 60.27 16.23 Favored Pre-proline 0 N--CA 1.473 0.708 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.695 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 138' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.3 -32.97 9.68 Favored 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 122.547 2.165 . . . . 0.0 112.214 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 139' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.72 -42.95 94.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.492 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.566 179.804 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 60.6 mtt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 2' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' F' ' 4' ' ' PHE . 98.4 m-20 -61.48 -39.37 90.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.326 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 92.4 t 46.69 -88.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.666 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' F' ' 2' ' ' ASP . 80.4 t80 -114.75 120.04 38.72 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 120.802 0.334 . . . . 0.0 110.458 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 5' ' ' MET . . . . . 0.4 ' O ' ' CE2' ' F' ' 4' ' ' PHE . 87.6 mmm -76.91 156.83 31.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.335 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 6' ' ' LYS . . . . . 0.465 ' NZ ' ' CB ' ' F' ' 6' ' ' LYS . 1.5 ttmp? 71.05 -133.55 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.81 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.96 26.39 71.22 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 8' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.0 125.38 23.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.863 0.363 . . . . 0.0 110.282 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -164.49 36.47 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.48 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 10' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.54 -13.42 58.9 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.413 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.04 76.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -62.97 130.0 42.81 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.193 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 13' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -88.85 137.19 32.54 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.372 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.48 -0.21 11.22 Favored Glycine 0 N--CA 1.475 1.258 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 15' ' ' VAL . . . . . . . . . . . . . 23.9 m -133.62 149.34 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-O 120.861 0.363 . . . . 0.0 110.931 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 16' ' ' VAL . . . . . 0.423 HG13 ' N ' ' F' ' 17' ' ' ALA . 11.4 p -78.94 -36.35 18.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.645 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 17' ' ' ALA . . . . . 0.423 ' N ' HG13 ' F' ' 16' ' ' VAL . . . 54.82 -102.65 0.15 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.411 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.33 27.45 0.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.333 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.0 65.27 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.635 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 20' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -149.87 125.86 10.56 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.253 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 21' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -85.82 150.06 24.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.333 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 22' ' ' THR . . . . . . . . . . . . . 69.5 p -106.61 149.19 27.45 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 120.789 0.328 . . . . 0.0 110.144 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 23' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -81.78 146.21 30.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.466 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 24' ' ' GLN . . . . . 0.443 ' N ' ' CD ' ' F' ' 24' ' ' GLN . 4.3 mp0 -73.03 130.76 41.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.895 0.378 . . . . 0.0 110.338 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.44 -169.92 43.31 Favored Glycine 0 N--CA 1.464 0.563 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 26' ' ' VAL . . . . . . . . . . . . . 27.1 m -81.29 -0.07 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.724 0.297 . . . . 0.0 110.43 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.62 -123.19 0.66 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.949 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 28' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -81.55 127.9 33.34 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.715 0.293 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.85 127.98 6.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.966 0.412 . . . . 0.0 110.748 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.43 131.72 40.28 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.44 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.49 62.89 4.26 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 32' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -64.45 156.67 28.75 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.515 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 33' ' ' THR . . . . . 0.459 ' H ' HG22 ' F' ' 33' ' ' THR . 0.0 OUTLIER -65.66 101.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.049 -178.209 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -56.53 141.55 42.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.339 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 35' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -108.1 119.35 39.22 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.757 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.8 -112.97 0.01 OUTLIER Glycine 0 CA--C 1.521 0.463 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 37' ' ' VAL . . . . . 0.405 ' H ' HG12 ' E' ' 37' ' ' VAL . 13.3 m -130.01 148.81 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 38' ' ' LEU . . . . . . . . . . . . . 19.9 mt -117.01 130.21 56.53 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 39' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -125.94 116.9 22.21 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 120.672 0.272 . . . . 0.0 110.313 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.65 118.9 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.532 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.05 70.36 1.11 Allowed Glycine 0 CA--C 1.528 0.878 0 C-N-CA 120.081 -1.056 . . . . 0.0 111.067 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 64.1 m -137.35 136.14 37.65 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 120.741 0.305 . . . . 0.0 110.478 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 43' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -117.92 126.62 52.71 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.883 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 44' ' ' THR . . . . . . . . . . . . . 89.3 m -131.9 126.57 34.48 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.84 0.353 . . . . 0.0 110.278 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 45' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -138.63 135.55 35.02 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.2 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -140.36 115.93 10.12 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.505 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.35 77.31 0.52 Allowed Glycine 0 CA--C 1.523 0.555 0 C-N-CA 120.361 -0.923 . . . . 0.0 110.959 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 48' ' ' VAL . . . . . . . . . . . . . 97.9 t -141.86 137.44 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-O 120.616 0.246 . . . . 0.0 110.636 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.07 142.75 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-O 121.166 0.507 . . . . 0.0 110.856 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 50' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -144.42 119.46 10.03 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.142 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.7 135.14 9.05 Favored Glycine 0 N--CA 1.475 1.299 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 52' ' ' VAL . . . . . . . . . . . . . 73.5 t -129.58 125.52 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.0 127.47 40.07 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.656 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 54' ' ' THR . . . . . . . . . . . . . 91.9 m -127.32 126.41 42.54 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.229 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 55' ' ' VAL . . . . . . . . . . . . . 82.3 t -128.22 123.4 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.172 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.17 -77.95 0.4 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -57.13 -163.84 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.777 0.323 . . . . 0.0 110.252 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 58' ' ' LYS . . . . . 0.459 ' O ' ' CB ' ' G' ' 58' ' ' LYS . 44.5 pttt -102.84 158.39 16.3 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.525 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 59' ' ' THR . . . . . . . . . . . . . 77.8 p -81.14 -36.74 29.86 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.032 0.444 . . . . 0.0 110.262 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 60' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' G' ' 61' ' ' GLU . 32.7 tttp 73.66 67.04 0.1 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.67 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 61' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' E' ' 60' ' ' LYS . 95.2 mt-10 -99.69 82.26 2.59 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 120.872 0.368 . . . . 0.0 110.672 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -72.42 -82.81 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.077 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 63' ' ' VAL . . . . . . . . . . . . . 68.0 t -117.22 121.17 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-O 120.998 0.428 . . . . 0.0 110.791 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 91.0 m -124.01 126.78 46.88 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.17 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 65' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -130.33 115.28 16.69 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.563 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 66' ' ' VAL . . . . . . . . . . . . . 93.4 t -132.75 130.79 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-O 120.794 0.331 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.32 -59.35 3.12 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.82 -107.38 0.08 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.43 154.56 47.81 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 120.896 0.379 . . . . 0.0 110.684 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.41 131.7 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-O 121.352 0.596 . . . . 0.0 111.032 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 71' ' ' VAL . . . . . 0.425 HG21 ' OG1' ' E' ' 92' ' ' THR . 58.4 t -127.19 123.87 63.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.983 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 72' ' ' THR . . . . . . . . . . . . . 72.3 p -126.02 146.27 49.96 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.91 0.386 . . . . 0.0 110.9 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.68 -126.61 6.9 Favored Glycine 0 N--CA 1.476 1.338 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.84 130.17 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-O 121.331 0.586 . . . . 0.0 111.23 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 75' ' ' THR . . . . . . . . . . . . . 89.2 m -130.4 128.26 41.01 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.65 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.64 139.0 38.35 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 120.766 0.317 . . . . 0.0 111.179 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 m -140.19 143.02 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.719 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 78' ' ' ALA . . . . . 0.439 ' O ' ' O ' ' E' ' 79' ' ' GLN . . . -115.41 117.6 30.86 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 79' ' ' GLN . . . . . 0.442 ' O ' ' O ' ' G' ' 78' ' ' ALA . 35.3 mt-30 -140.47 161.25 38.18 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 80' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -114.1 -61.1 1.79 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -136.09 144.98 45.44 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.981 0.42 . . . . 0.0 110.961 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.66 143.63 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-O 121.014 0.435 . . . . 0.0 110.787 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -146.5 144.01 29.34 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.97 0.414 . . . . 0.0 110.999 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.9 131.48 1.65 Allowed Glycine 0 N--CA 1.466 0.669 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.63 127.61 33.07 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.357 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.26 5.84 67.74 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 31.4 t -80.87 153.03 27.86 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.989 0.423 . . . . 0.0 110.815 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 88' ' ' ILE . . . . . . . . . . . . . 4.8 pt -125.25 130.4 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.27 -60.81 1.97 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.822 0.344 . . . . 0.0 110.322 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.63 117.5 17.1 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.112 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.31 121.66 11.63 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.857 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 92' ' ' THR . . . . . 0.42 ' OG1' HG21 ' G' ' 71' ' ' VAL . 8.9 p -92.96 106.23 18.23 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.32 92.62 0.51 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.591 -1.003 . . . . 0.0 110.591 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 94' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -118.75 120.01 36.12 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -141.93 123.45 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-O 121.281 0.562 . . . . 0.0 110.628 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 96' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -124.05 123.97 41.51 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.233 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 97' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -112.18 124.05 51.6 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 98' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' G' ' 98' ' ' ASP . 20.4 t0 58.17 169.81 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.168 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 99' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -150.05 147.93 28.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.918 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 100' ' ' LEU . . . . . 0.47 HD23 ' C ' ' F' ' 100' ' ' LEU . 2.4 tt -72.32 -60.15 2.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.915 0.388 . . . . 0.0 110.106 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.94 -164.24 25.82 Favored Glycine 0 N--CA 1.468 0.807 0 N-CA-C 110.611 -0.995 . . . . 0.0 110.611 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 102' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -142.53 132.98 25.01 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.87 0.367 . . . . 0.0 110.157 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 103' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -140.78 127.47 20.29 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.179 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 104' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -85.35 1.42 48.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.346 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 105' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 57.12 57.48 4.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.408 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.6 -38.99 94.5 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.68 151.55 96.41 Favored Pre-proline 0 CA--C 1.539 0.519 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 108' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.69 100.98 1.11 Allowed 'Trans proline' 0 N--CA 1.497 1.687 0 C-N-CA 122.143 1.895 . . . . 0.0 111.879 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 109' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -63.71 -39.99 95.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.473 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 110' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -125.47 150.56 47.24 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.263 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 111' ' ' GLY . . . . . . . . . . . . . . . -137.76 153.5 22.18 Favored Glycine 0 N--CA 1.471 1.031 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 112' ' ' ILE . . . . . . . . . . . . . 3.3 mp -108.55 97.27 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-O 120.854 0.359 . . . . 0.0 110.54 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 113' ' ' LEU . . . . . . . . . . . . . 26.1 mt 41.83 82.21 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.017 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 114' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -83.18 118.02 23.32 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.949 0.405 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 115' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.05 -38.95 93.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.967 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 116' ' ' MET . . . . . . . . . . . . . 65.3 mtt -129.57 77.79 76.58 Favored Pre-proline 0 N--CA 1.476 0.83 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.909 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 117' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.28 139.6 81.22 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 122.558 2.172 . . . . 0.0 112.126 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 118' ' ' VAL . . . . . . . . . . . . . 13.7 p -147.74 136.55 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.104 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 119' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -70.41 151.18 95.72 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.375 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 120' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -41.02 -47.43 4.99 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 121.892 1.728 . . . . 0.0 112.326 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 121' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' F' ' 123' ' ' GLU . 59.4 p30 -162.55 -168.49 1.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.499 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 122' ' ' ASN . . . . . . . . . . . . . 40.1 t30 55.97 -81.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.721 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 123' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' F' ' 121' ' ' ASP . 84.2 tt0 52.8 68.15 0.88 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.319 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 124' ' ' ALA . . . . . . . . . . . . . . . -92.9 121.99 34.82 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.741 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 125' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -87.53 157.24 19.21 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.653 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 126' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -142.8 157.41 44.65 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.87 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 127' ' ' MET . . . . . . . . . . . . . 81.3 mmm -134.61 150.92 74.96 Favored Pre-proline 0 N--CA 1.477 0.88 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.232 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 128' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -70.08 146.96 59.73 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 121.936 1.757 . . . . 0.0 111.848 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 129' ' ' SER . . . . . . . . . . . . . 22.7 t -165.68 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 130' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -135.87 132.77 36.99 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.334 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 131' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -85.07 145.66 27.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.202 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 132' ' ' GLY . . . . . . . . . . . . . . . -64.38 138.84 41.17 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 133' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -71.05 -29.28 65.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.814 0.34 . . . . 0.0 110.416 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 134' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -58.92 104.24 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.472 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 135' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' F' ' 136' ' ' TYR . 65.3 t0 -173.34 -114.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.352 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 136' ' ' TYR . . . . . 0.415 ' N ' ' OD1' ' F' ' 135' ' ' ASP . 23.3 t80 -80.3 168.61 18.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.228 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 137' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -130.44 76.99 76.8 Favored Pre-proline 0 N--CA 1.472 0.628 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.279 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 138' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -83.33 80.21 2.64 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.605 2.204 . . . . 0.0 111.995 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 139' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -61.87 -39.48 92.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.582 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.49 -179.768 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 1' ' ' MET . . . . . . . . . . . . . 13.7 tpt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 2' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' G' ' 3' ' ' VAL . 40.5 p-10 -67.85 -38.41 83.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.022 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.516 ' N ' ' OD1' ' G' ' 2' ' ' ASP . 31.6 m -61.57 -24.34 33.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.718 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -61.9 -41.01 97.41 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.245 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 5' ' ' MET . . . . . . . . . . . . . 78.9 mtm 54.59 49.05 19.0 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 58.3 mttp 49.21 -147.75 0.29 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.243 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 7' ' ' GLY . . . . . 0.45 ' C ' ' N ' ' G' ' 9' ' ' SER . . . -160.97 158.5 30.1 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 8' ' ' LEU . . . . . 0.517 ' N ' HD12 ' G' ' 8' ' ' LEU . 10.9 mp 45.53 19.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.208 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 9' ' ' SER . . . . . 0.45 ' N ' ' C ' ' G' ' 7' ' ' GLY . 69.5 m -149.97 26.72 0.8 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.601 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 10' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -61.41 -43.07 99.51 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.305 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 11' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' G' ' 13' ' ' GLU . . . -64.78 -40.42 95.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.682 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 pttp 33.76 33.39 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.422 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 13' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' G' ' 11' ' ' ALA . 30.5 tt0 -156.33 -119.32 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.258 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 14' ' ' GLY . . . . . . . . . . . . . . . 59.36 -134.74 51.8 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.514 -1.035 . . . . 0.0 110.514 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 15' ' ' VAL . . . . . . . . . . . . . 33.4 m -138.74 149.77 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-O 120.747 0.308 . . . . 0.0 110.27 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 16' ' ' VAL . . . . . 0.416 ' H ' HG22 ' G' ' 16' ' ' VAL . 23.3 m -94.01 -30.85 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.372 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.0 147.22 32.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.617 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 18' ' ' ALA . . . . . . . . . . . . . . . 46.65 23.25 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.587 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.4 94.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.603 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 20' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 50.75 25.34 2.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.474 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 21' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -62.71 -41.51 99.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 22' ' ' THR . . . . . 0.416 ' H ' HG22 ' G' ' 22' ' ' THR . 0.7 OUTLIER -75.98 140.88 42.24 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.414 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 23' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' G' ' 25' ' ' GLY . 22.4 pttp -67.39 -16.01 64.0 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.196 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 56.07 3.5 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.139 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' G' ' 23' ' ' LYS . . . 55.82 45.88 84.73 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 110.304 -1.119 . . . . 0.0 110.304 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 26' ' ' VAL . . . . . . . . . . . . . 73.7 t -56.58 -47.34 82.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.118 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.74 124.55 42.13 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.614 0.245 . . . . 0.0 110.4 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 28' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -157.13 121.24 4.29 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.802 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 29' ' ' ALA . . . . . . . . . . . . . . . -118.79 122.76 43.16 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.302 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.68 132.53 39.01 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.554 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.54 62.88 4.25 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 32' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -64.23 156.65 28.08 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.099 0.476 . . . . 0.0 110.51 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 33' ' ' THR . . . . . 0.483 ' H ' HG22 ' G' ' 33' ' ' THR . 0.0 OUTLIER -65.7 101.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.072 -178.305 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 34' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -56.59 141.5 42.98 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.319 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -108.07 119.45 39.5 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.816 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.84 -113.03 0.01 OUTLIER Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 37' ' ' VAL . . . . . 0.404 HG12 ' H ' ' H' ' 37' ' ' VAL . 13.4 m -129.99 148.73 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 38' ' ' LEU . . . . . . . . . . . . . 20.2 mt -116.87 130.13 56.52 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 39' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -125.9 117.01 22.41 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-O 120.732 0.301 . . . . 0.0 110.343 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 63.0 t -131.64 118.94 40.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.486 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.95 70.57 1.05 Allowed Glycine 0 C--O 1.245 0.84 0 C-N-CA 120.005 -1.093 . . . . 0.0 111.002 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 65.1 m -137.32 136.18 37.75 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 120.658 0.266 . . . . 0.0 110.544 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 43' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -117.85 126.64 52.77 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 44' ' ' THR . . . . . . . . . . . . . 88.7 m -132.03 126.6 34.27 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.85 0.357 . . . . 0.0 110.322 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 45' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -138.71 135.5 34.82 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.199 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 46' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -140.36 116.0 10.17 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.406 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.18 77.77 0.49 Allowed Glycine 0 CA--C 1.523 0.543 0 C-N-CA 120.409 -0.9 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 48' ' ' VAL . . . . . . . . . . . . . 97.8 t -142.29 137.39 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 120.765 0.316 . . . . 0.0 110.475 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.12 142.94 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-O 121.256 0.551 . . . . 0.0 110.787 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 50' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -144.41 119.41 10.01 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.142 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.73 135.28 9.11 Favored Glycine 0 N--CA 1.475 1.295 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 52' ' ' VAL . . . . . . . . . . . . . 76.3 t -129.56 125.66 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.17 127.4 39.64 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.653 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 54' ' ' THR . . . . . . . . . . . . . 91.7 m -127.27 126.34 42.5 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.254 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 55' ' ' VAL . . . . . . . . . . . . . 83.9 t -128.13 123.29 60.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.223 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.94 -78.36 0.39 Allowed 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.8 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -57.06 -163.81 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.798 0.332 . . . . 0.0 110.256 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 58' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' H' ' 58' ' ' LYS . 44.5 pttt -102.77 158.18 16.44 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.571 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 59' ' ' THR . . . . . . . . . . . . . 79.8 p -80.93 -36.79 30.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 110.291 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 60' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' H' ' 61' ' ' GLU . 32.6 tttp 73.9 66.93 0.09 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.573 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 61' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' F' ' 60' ' ' LYS . 95.3 mt-10 -99.63 81.79 2.54 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 120.901 0.381 . . . . 0.0 110.794 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -71.95 -83.15 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.145 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 63' ' ' VAL . . . . . . . . . . . . . 73.5 t -116.88 121.12 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-O 120.908 0.385 . . . . 0.0 110.783 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 90.6 m -123.79 126.91 47.31 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.191 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 65' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -130.39 115.24 16.6 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.517 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 66' ' ' VAL . . . . . . . . . . . . . 92.7 t -132.78 130.75 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-O 120.792 0.33 . . . . 0.0 110.871 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.15 -59.38 3.14 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.74 -107.38 0.07 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.46 154.63 47.78 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.855 0.36 . . . . 0.0 110.753 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.57 131.82 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-O 121.271 0.558 . . . . 0.0 111.093 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 71' ' ' VAL . . . . . 0.42 HG21 ' OG1' ' F' ' 92' ' ' THR . 58.4 t -127.27 123.91 62.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.05 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 72' ' ' THR . . . . . . . . . . . . . 73.3 p -126.04 146.41 49.91 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 120.991 0.424 . . . . 0.0 110.9 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.51 -126.57 6.9 Favored Glycine 0 N--CA 1.476 1.367 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.94 130.14 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-O 121.252 0.549 . . . . 0.0 111.293 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 75' ' ' THR . . . . . . . . . . . . . 88.5 m -130.38 128.17 40.85 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.731 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.56 139.14 38.55 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-O 120.765 0.317 . . . . 0.0 111.145 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 m -140.17 143.05 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 121.968 -0.457 . . . . 0.0 110.79 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 78' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' F' ' 79' ' ' GLN . . . -115.43 117.57 30.78 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.621 179.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 79' ' ' GLN . . . . . 0.441 ' O ' ' O ' ' H' ' 78' ' ' ALA . 35.5 mt-30 -140.52 161.09 38.56 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 80' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -114.01 -60.89 1.82 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -136.2 145.14 45.39 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.912 0.387 . . . . 0.0 110.99 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.67 143.69 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-O 120.963 0.411 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -146.61 143.84 29.11 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.945 0.403 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.05 131.46 1.63 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.65 127.65 33.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.799 0.333 . . . . 0.0 110.353 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.22 5.88 67.6 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 31.1 t -80.93 153.02 27.77 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.096 0.474 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 88' ' ' ILE . . . . . . . . . . . . . 4.8 pt -125.26 130.29 72.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.665 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.06 -60.56 2.06 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.76 0.314 . . . . 0.0 110.439 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.88 117.46 16.83 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.122 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.31 121.7 11.65 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.903 0.382 . . . . 0.0 110.774 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 92' ' ' THR . . . . . 0.419 ' OG1' HG21 ' H' ' 71' ' ' VAL . 8.8 p -92.76 106.17 18.19 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.28 92.7 0.51 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 94' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -118.82 120.02 36.11 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.791 0.329 . . . . 0.0 110.148 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -141.8 123.33 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 121.204 0.526 . . . . 0.0 110.573 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 96' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -123.52 123.69 41.17 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.968 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 97' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -120.86 128.8 53.16 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.362 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 98' ' ' ASP . . . . . 0.417 ' O ' ' OD2' ' F' ' 98' ' ' ASP . 34.5 t70 -147.54 63.18 1.14 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.983 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 99' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -64.52 129.67 40.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.152 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 100' ' ' LEU . . . . . . . . . . . . . 29.4 tp -141.01 115.47 9.45 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.939 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 101' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' G' ' 102' ' ' LYS . . . 178.53 173.14 43.63 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.454 -1.058 . . . . 0.0 110.454 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 102' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' G' ' 101' ' ' GLY . 33.0 ttmt 54.93 110.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 110.609 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 103' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' G' ' 103' ' ' ASN . 11.5 p30 -133.93 124.39 26.29 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.942 0.401 . . . . 0.0 110.558 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 104' ' ' GLU . . . . . . . . . . . . . 45.3 mp0 -64.04 -39.45 94.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.447 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 105' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -71.43 145.85 49.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.536 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 106' ' ' GLY . . . . . . . . . . . . . . . -150.18 4.59 0.62 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.28 148.42 95.67 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 108' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -42.62 -46.7 8.07 Favored 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 121.812 1.675 . . . . 0.0 112.59 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 109' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -98.19 123.41 42.25 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.972 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 110' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -64.6 -39.37 93.6 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.602 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 111' ' ' GLY . . . . . . . . . . . . . . . -162.21 168.06 37.07 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 112' ' ' ILE . . . . . 0.418 ' O ' ' O ' ' G' ' 113' ' ' LEU . 33.4 pt -103.37 -6.26 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-O 120.753 0.311 . . . . 0.0 111.036 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 113' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' G' ' 112' ' ' ILE . 58.1 tp 50.18 99.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.003 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 114' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -84.42 -5.8 59.32 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.442 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 115' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -82.3 68.19 8.63 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.522 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 116' ' ' MET . . . . . 0.588 ' N ' ' CD ' ' G' ' 117' ' ' PRO . 0.0 OUTLIER -75.01 -39.94 3.51 Favored Pre-proline 0 CA--C 1.544 0.73 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.147 179.762 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 117' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' G' ' 116' ' ' MET . 39.5 Cg_exo -58.9 141.33 98.02 Favored 'Trans proline' 0 N--CA 1.503 2.086 0 C-N-CA 122.698 2.265 . . . . 0.0 112.392 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 118' ' ' VAL . . . . . . . . . . . . . 28.2 m -121.84 -2.66 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.341 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 119' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -142.27 73.32 21.51 Favored Pre-proline 0 N--CA 1.472 0.626 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.553 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 120' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.71 138.64 81.85 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 122.655 2.237 . . . . 0.0 112.023 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 121' ' ' ASP . . . . . 0.402 ' O ' ' CB ' ' G' ' 125' ' ' TYR . 57.4 p30 -93.34 10.71 30.97 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.379 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 122' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' G' ' 124' ' ' ALA . 95.1 m-20 -119.69 -177.62 3.43 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.465 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 123' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 57.74 -84.62 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 124' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' G' ' 122' ' ' ASN . . . -60.51 -36.68 78.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.429 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 125' ' ' TYR . . . . . 0.402 ' CB ' ' O ' ' G' ' 121' ' ' ASP . 86.1 t80 -55.91 -35.93 67.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.469 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 126' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.55 108.32 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.409 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 127' ' ' MET . . . . . . . . . . . . . 98.0 mmm -132.36 66.77 77.81 Favored Pre-proline 0 N--CA 1.472 0.658 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.212 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 128' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.93 -14.77 26.48 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.209 1.939 . . . . 0.0 111.883 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 129' ' ' SER . . . . . . . . . . . . . 71.0 m -68.59 140.52 55.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.356 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 130' ' ' GLU . . . . . 0.472 ' OE1' ' N ' ' G' ' 130' ' ' GLU . 57.8 mp0 -108.63 129.48 55.33 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.443 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 131' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' G' ' 132' ' ' GLY . 3.1 pp20? -67.7 -32.79 73.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.663 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 132' ' ' GLY . . . . . 0.452 ' N ' ' CD ' ' G' ' 131' ' ' GLU . . . -77.33 153.6 41.38 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 133' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -81.71 151.32 27.57 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 134' ' ' GLN . . . . . 0.447 ' CD ' ' H ' ' G' ' 134' ' ' GLN . 28.5 mp0 -60.67 -43.11 98.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.984 -179.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 135' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -96.3 143.84 27.01 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.523 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 136' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -105.63 133.82 49.75 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 137' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -149.1 63.25 6.61 Favored Pre-proline 0 N--CA 1.465 0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.243 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 138' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -75.37 146.58 31.53 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.394 2.063 . . . . 0.0 111.684 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 139' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -100.92 123.74 45.56 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.267 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.636 -179.931 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' H' H ' 1' ' ' MET . . . . . . . . . . . . . 65.8 ttp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' H' H ' 2' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.24 141.54 55.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.38 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 3' ' ' VAL . . . . . 0.409 HG22 ' H ' ' H' ' 3' ' ' VAL . 12.1 m -64.85 -34.21 68.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.579 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -137.48 136.91 38.15 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 120.896 0.379 . . . . 0.0 110.585 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 5' ' ' MET . . . . . . . . . . . . . 98.0 mtp -87.95 145.95 25.77 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.541 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -131.64 148.13 52.57 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.557 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.31 143.07 12.7 Favored Glycine 0 N--CA 1.469 0.862 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 8' ' ' LEU . . . . . 0.588 ' N ' HD12 ' H' ' 8' ' ' LEU . 9.1 mp -89.16 152.4 21.64 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 9' ' ' SER . . . . . . . . . . . . . 28.5 t -139.64 -88.14 0.2 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.474 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 10' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -70.17 -20.1 63.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.451 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 11' ' ' ALA . . . . . . . . . . . . . . . 64.67 40.4 5.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.462 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -86.76 94.23 9.47 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.434 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 13' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -139.93 -23.17 0.85 Allowed 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.329 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.01 52.7 0.03 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 15' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.63 -42.41 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 m -54.06 -21.14 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.768 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 17' ' ' ALA . . . . . . . . . . . . . . . 50.22 37.58 15.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.67 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.31 139.53 58.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.356 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -156.82 160.08 38.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.405 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 20' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -75.37 76.61 2.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.515 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 21' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -159.11 136.95 10.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.178 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 22' ' ' THR . . . . . . . . . . . . . 95.6 m -104.05 129.69 51.71 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.239 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 23' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -59.02 122.05 12.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.583 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 45.36 39.57 4.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.5 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.13 3.18 87.65 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 26' ' ' VAL . . . . . . . . . . . . . 96.6 t -70.04 123.16 23.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.889 0.376 . . . . 0.0 110.408 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 27' ' ' ALA . . . . . . . . . . . . . . . -161.47 163.66 30.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.451 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 28' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -60.75 -43.4 98.01 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.378 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.17 112.35 16.35 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.523 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.82 133.29 39.63 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.564 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.43 63.1 4.12 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 32' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -64.16 156.55 28.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.053 0.454 . . . . 0.0 110.661 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 33' ' ' THR . . . . . 0.443 HG22 ' H ' ' H' ' 33' ' ' THR . 0.0 OUTLIER -65.74 101.05 0.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.024 -178.278 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -56.66 141.55 43.19 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.368 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 35' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -107.99 119.56 39.8 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.831 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.92 -113.06 0.01 OUTLIER Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 37' ' ' VAL . . . . . 0.408 HG12 ' H ' ' I' ' 37' ' ' VAL . 13.7 m -129.92 148.85 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 mt -116.95 129.9 56.34 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 39' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -125.9 117.06 22.52 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 120.66 0.267 . . . . 0.0 110.326 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 64.1 t -131.55 118.9 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.494 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.72 70.94 0.95 Allowed Glycine 0 C--O 1.246 0.876 0 C-N-CA 120.103 -1.046 . . . . 0.0 110.95 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 66.0 m -137.42 136.34 37.72 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 120.778 0.323 . . . . 0.0 110.549 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 43' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -117.75 126.74 53.01 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 44' ' ' THR . . . . . . . . . . . . . 89.1 m -132.33 126.57 33.59 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.885 0.374 . . . . 0.0 110.249 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 45' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -138.67 135.6 35.0 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.181 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 46' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -140.44 116.08 10.18 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.378 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.1 78.15 0.46 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 48' ' ' VAL . . . . . . . . . . . . . 97.7 t -142.71 137.37 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-O 120.695 0.283 . . . . 0.0 110.541 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.16 143.01 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-O 121.162 0.506 . . . . 0.0 110.807 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 50' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -144.45 119.49 10.04 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.189 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.89 135.37 9.11 Favored Glycine 0 N--CA 1.476 1.334 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 52' ' ' VAL . . . . . . . . . . . . . 78.6 t -129.46 125.72 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.16 127.45 39.73 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.595 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 54' ' ' THR . . . . . . . . . . . . . 92.4 m -127.29 126.34 42.46 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.194 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 55' ' ' VAL . . . . . . . . . . . . . 84.6 t -127.98 123.13 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.236 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.75 -78.74 0.37 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.816 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.87 -163.85 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.68 0.276 . . . . 0.0 110.368 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 58' ' ' LYS . . . . . 0.463 ' O ' ' CB ' ' I' ' 58' ' ' LYS . 44.6 pttt -102.86 158.05 16.54 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.589 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 59' ' ' THR . . . . . . . . . . . . . 79.7 p -80.82 -36.82 31.11 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.971 0.415 . . . . 0.0 110.269 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 60' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' I' ' 61' ' ' GLU . 32.5 tttp 73.95 66.9 0.09 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.553 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 61' ' ' GLU . . . . . 0.456 ' O ' ' O ' ' G' ' 60' ' ' LYS . 95.2 mt-10 -99.65 81.58 2.51 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-O 120.884 0.374 . . . . 0.0 110.733 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -71.64 -83.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.053 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 63' ' ' VAL . . . . . . . . . . . . . 77.0 t -116.19 121.23 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 90.4 m -123.8 126.77 47.05 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.249 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 65' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -130.23 115.14 16.56 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.572 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 66' ' ' VAL . . . . . . . . . . . . . 93.3 t -132.78 130.69 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-O 120.738 0.304 . . . . 0.0 110.94 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.91 -59.47 3.17 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.8 -107.38 0.08 OUTLIER Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.46 154.52 47.76 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.884 0.373 . . . . 0.0 110.629 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.66 131.9 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-O 121.292 0.568 . . . . 0.0 111.079 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 71' ' ' VAL . . . . . 0.419 HG21 ' OG1' ' G' ' 92' ' ' THR . 58.3 t -127.31 123.99 63.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.106 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 72' ' ' THR . . . . . . . . . . . . . 72.2 p -126.07 146.56 49.86 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 120.885 0.374 . . . . 0.0 110.9 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.4 -126.58 6.91 Favored Glycine 0 N--CA 1.476 1.355 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.97 130.25 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-O 121.258 0.551 . . . . 0.0 111.297 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 75' ' ' THR . . . . . . . . . . . . . 88.8 m -130.57 128.08 40.36 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.717 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.42 139.22 38.81 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 120.723 0.297 . . . . 0.0 111.119 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 m -140.06 143.2 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 121.899 -0.501 . . . . 0.0 110.791 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 78' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' G' ' 79' ' ' GLN . . . -115.55 117.52 30.58 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 79' ' ' GLN . . . . . 0.443 ' O ' ' O ' ' I' ' 78' ' ' ALA . 35.8 mt-30 -140.56 160.98 38.83 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 80' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.91 -60.7 1.85 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -136.52 145.19 44.78 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.021 0.439 . . . . 0.0 110.931 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.68 143.7 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-O 121.051 0.453 . . . . 0.0 110.808 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -146.62 144.0 29.21 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.86 131.35 1.64 Allowed Glycine 0 N--CA 1.465 0.595 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.67 127.65 33.19 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.368 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.29 5.85 67.93 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 30.5 t -80.82 153.14 27.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.01 0.433 . . . . 0.0 110.81 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 88' ' ' ILE . . . . . . . . . . . . . 4.8 pt -125.44 130.23 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 89' ' ' ALA . . . . . . . . . . . . . . . -83.9 -60.3 2.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.847 0.356 . . . . 0.0 110.504 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 90' ' ' ALA . . . . . . . . . . . . . . . -134.19 117.46 16.54 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.216 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.36 121.85 11.72 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.938 0.399 . . . . 0.0 110.755 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 92' ' ' THR . . . . . 0.418 ' OG1' HG21 ' I' ' 71' ' ' VAL . 9.2 p -92.7 106.29 18.3 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.0 92.9 0.48 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 94' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -118.87 120.08 36.26 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.845 0.355 . . . . 0.0 110.148 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -141.63 123.25 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-O 121.201 0.524 . . . . 0.0 110.599 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 96' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -123.74 127.07 47.61 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.445 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 97' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -125.03 128.84 49.15 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.145 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 98' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -134.69 150.48 50.62 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.338 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 99' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -171.22 42.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.017 0.437 . . . . 0.0 110.245 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 100' ' ' LEU . . . . . 0.477 HD21 ' OD1' ' I' ' 98' ' ' ASP . 89.7 mt -64.78 -37.3 87.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.503 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 101' ' ' GLY . . . . . . . . . . . . . . . 62.41 -130.25 43.54 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 102' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -91.06 3.0 55.9 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.407 0.146 . . . . 0.0 111.347 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 103' ' ' ASN . . . . . . . . . . . . . 26.5 m120 58.62 25.79 13.67 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.822 0.344 . . . . 0.0 110.348 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 104' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -140.67 148.87 41.48 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.425 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 105' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -129.68 140.45 51.12 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.308 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 106' ' ' GLY . . . . . . . . . . . . . . . -137.68 146.75 18.66 Favored Glycine 0 N--CA 1.469 0.835 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.19 154.64 92.13 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 108' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -66.78 120.27 7.36 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 121.928 1.752 . . . . 0.0 111.555 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 109' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -65.14 -39.54 93.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.434 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 110' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -69.93 -148.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.446 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.6 5.98 86.15 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 112' ' ' ILE . . . . . . . . . . . . . 38.4 pt -96.7 156.02 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 120.828 0.347 . . . . 0.0 110.432 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 113' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.01 -173.22 4.43 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.349 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 114' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -148.33 160.51 42.92 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.263 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 115' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -59.76 138.47 57.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.477 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 116' ' ' MET . . . . . . . . . . . . . 50.4 ttm -149.79 64.58 7.1 Favored Pre-proline 0 N--CA 1.466 0.352 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 117' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -76.4 120.39 5.61 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.385 2.056 . . . . 0.0 111.965 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 118' ' ' VAL . . . . . . . . . . . . . 7.1 p -76.95 -23.09 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.71 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 119' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 55.67 72.65 0.99 Allowed Pre-proline 0 C--N 1.332 -0.161 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.8 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 120' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -57.42 146.73 81.85 Favored 'Trans proline' 0 N--CA 1.502 2.0 0 C-N-CA 123.1 2.533 . . . . 0.0 112.036 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 121' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -148.08 -4.19 0.48 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.639 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 122' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -98.14 114.45 26.66 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.606 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 123' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -90.83 1.82 56.63 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.371 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.28 -39.18 85.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.453 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 125' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' H' ' 125' ' ' TYR . 81.3 t80 56.83 53.83 7.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.585 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 126' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 49.78 -93.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.6 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 127' ' ' MET . . . . . 0.411 ' N ' ' O ' ' H' ' 125' ' ' TYR . 47.7 ttm 46.73 69.42 2.68 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.645 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 128' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -53.94 -37.74 85.91 Favored 'Trans proline' 0 N--CA 1.499 1.849 0 C-N-CA 122.739 2.293 . . . . 0.0 112.103 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 129' ' ' SER . . . . . . . . . . . . . 83.9 p -71.87 163.71 27.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.787 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 130' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 55.88 51.66 11.88 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.594 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 131' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -62.93 138.13 58.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.419 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 132' ' ' GLY . . . . . . . . . . . . . . . -65.19 -21.68 68.39 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 133' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -76.14 110.61 10.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.298 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 134' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -97.91 100.09 11.42 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.62 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 135' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -85.19 -179.09 6.93 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.539 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 136' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' H' ' 136' ' ' TYR . 53.0 p90 -81.51 130.29 34.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.372 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 137' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 46.42 68.02 3.82 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.489 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 138' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -50.61 132.74 36.75 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 122.676 2.251 . . . . 0.0 112.273 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 139' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -64.05 -41.78 97.26 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.351 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.586 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' I' I ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' I' I ' 2' ' ' ASP . . . . . 0.4 ' O ' ' CE2' ' I' ' 4' ' ' PHE . 97.0 m-20 -89.82 2.42 54.96 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.434 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 95.2 t -62.3 130.46 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.34 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . 0.4 ' CE2' ' O ' ' I' ' 2' ' ' ASP . 98.2 m-85 -107.27 147.74 29.85 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.392 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 5' ' ' MET . . . . . . . . . . . . . 25.0 ptp -149.28 159.58 44.14 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.602 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 6' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -80.23 155.55 27.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.279 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.14 -39.23 95.58 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.799 -0.921 . . . . 0.0 110.799 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 8' ' ' LEU . . . . . . . . . . . . . 83.6 mt -86.4 -5.69 59.11 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.944 0.402 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 55.1 m 56.48 43.1 26.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.416 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 10' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -82.88 130.86 35.19 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.01 0.433 . . . . 0.0 110.993 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 11' ' ' ALA . . . . . . . . . . . . . . . -114.82 58.6 0.7 Allowed 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.143 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 12' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -151.9 138.36 18.59 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.607 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -68.32 149.27 49.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.573 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.24 150.9 47.9 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 m -136.39 154.53 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 CA-C-O 120.826 0.345 . . . . 0.0 110.575 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 16' ' ' VAL . . . . . . . . . . . . . 34.7 m -141.25 160.71 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.517 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 17' ' ' ALA . . . . . . . . . . . . . . . 54.76 77.99 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.704 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 18' ' ' ALA . . . . . 0.503 ' O ' ' HB3' ' I' ' 19' ' ' ALA . . . -60.27 -39.14 85.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.366 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 19' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' I' ' 18' ' ' ALA . . . 72.77 -43.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.687 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 20' ' ' GLU . . . . . 0.408 ' H ' ' C ' ' I' ' 18' ' ' ALA . 24.2 tt0 42.77 -126.99 0.74 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.546 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 21' ' ' LYS . . . . . . . . . . . . . 82.2 tttt 59.08 161.77 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.664 0.269 . . . . 0.0 110.453 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m 72.26 36.67 1.04 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.644 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 23' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -95.06 114.37 26.17 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.108 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 24' ' ' GLN . . . . . 0.52 ' H ' ' NE2' ' I' ' 24' ' ' GLN . 4.4 mp0 -64.11 -39.89 95.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.677 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.68 -160.53 52.99 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 26' ' ' VAL . . . . . . . . . . . . . 95.2 t -119.85 117.73 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-O 120.88 0.371 . . . . 0.0 110.312 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 27' ' ' ALA . . . . . . . . . . . . . . . -172.06 152.71 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.509 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 28' ' ' GLU . . . . . 0.522 ' N ' ' OE1' ' I' ' 28' ' ' GLU . 14.8 pm0 -82.99 139.94 33.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 29' ' ' ALA . . . . . . . . . . . . . . . -166.01 138.24 3.94 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.862 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.72 133.96 38.58 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.636 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.53 63.24 4.02 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 32' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -64.1 156.58 27.87 Favored 'General case' 0 CA--C 1.521 -0.139 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.758 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 33' ' ' THR . . . . . 0.424 HG22 ' H ' ' I' ' 33' ' ' THR . 0.0 OUTLIER -65.81 101.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.976 -178.293 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -56.87 141.58 44.37 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.3 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -108.08 119.83 40.59 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.736 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.19 -113.04 0.01 OUTLIER Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 37' ' ' VAL . . . . . 0.42 HG12 ' H ' ' J' ' 37' ' ' VAL . 13.9 m -129.88 148.82 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 38' ' ' LEU . . . . . . . . . . . . . 20.5 mt -116.83 129.79 56.3 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 39' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -125.93 117.08 22.55 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-O 120.706 0.288 . . . . 0.0 110.347 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 66.1 t -131.51 118.94 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.474 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.6 71.13 0.91 Allowed Glycine 0 C--O 1.245 0.816 0 C-N-CA 120.057 -1.068 . . . . 0.0 110.779 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 67.4 m -137.48 136.54 37.81 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 120.831 0.348 . . . . 0.0 110.455 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 43' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -117.56 126.64 52.91 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.959 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 44' ' ' THR . . . . . . . . . . . . . 89.0 m -132.41 126.6 33.51 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 120.868 0.366 . . . . 0.0 110.311 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 45' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -138.62 135.63 35.11 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.184 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 46' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -140.55 116.3 10.27 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.358 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.04 78.36 0.44 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.709 -0.957 . . . . 0.0 110.709 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 48' ' ' VAL . . . . . . . . . . . . . 98.2 t -142.98 137.45 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.722 0.296 . . . . 0.0 110.56 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.31 143.0 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-O 121.138 0.494 . . . . 0.0 110.794 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 50' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -144.54 119.59 10.05 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.171 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.09 135.47 9.11 Favored Glycine 0 N--CA 1.476 1.333 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 52' ' ' VAL . . . . . . . . . . . . . 83.2 t -129.44 125.79 62.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.13 127.57 40.04 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.65 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 54' ' ' THR . . . . . . . . . . . . . 91.9 m -127.28 126.36 42.5 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.134 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 55' ' ' VAL . . . . . . . . . . . . . 84.1 t -128.04 123.11 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.266 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.65 -79.11 0.36 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.787 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.79 -163.93 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 120.749 0.309 . . . . 0.0 110.301 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 58' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' J' ' 58' ' ' LYS . 44.5 pttt -103.02 157.67 16.82 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.578 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 59' ' ' THR . . . . . . . . . . . . . 81.0 p -80.27 -36.89 33.89 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.154 0.502 . . . . 0.0 110.404 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 60' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' J' ' 61' ' ' GLU . 32.4 tttp 73.92 66.77 0.09 Allowed 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.527 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 61' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' H' ' 60' ' ' LYS . 95.1 mt-10 -99.83 81.47 2.46 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 121.024 0.44 . . . . 0.0 110.789 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -71.41 -84.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.029 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 63' ' ' VAL . . . . . . . . . . . . . 80.6 t -115.81 121.17 66.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 120.795 0.331 . . . . 0.0 110.913 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 90.2 m -123.79 126.8 47.12 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 65' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -130.29 115.06 16.41 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.582 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 66' ' ' VAL . . . . . . . . . . . . . 93.2 t -132.76 130.74 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-O 120.821 0.343 . . . . 0.0 110.885 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.77 -59.44 3.21 Favored Glycine 0 CA--C 1.529 0.906 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.85 -107.43 0.08 OUTLIER Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.591 -0.604 . . . . 0.0 111.591 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.38 154.49 47.84 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.866 0.365 . . . . 0.0 110.654 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.81 131.91 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-O 121.31 0.576 . . . . 0.0 111.064 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 71' ' ' VAL . . . . . 0.418 HG21 ' OG1' ' H' ' 92' ' ' THR . 58.0 t -127.35 124.0 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.083 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 72' ' ' THR . . . . . . . . . . . . . 74.0 p -126.17 146.58 49.9 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.021 0.439 . . . . 0.0 110.807 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.36 -126.42 6.84 Favored Glycine 0 N--CA 1.475 1.257 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.17 130.39 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-O 121.336 0.589 . . . . 0.0 111.33 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 75' ' ' THR . . . . . . . . . . . . . 88.6 m -130.77 128.02 39.9 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.682 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.48 139.36 38.77 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-O 120.786 0.327 . . . . 0.0 110.965 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 77' ' ' VAL . . . . . 0.401 HG22 HG12 ' J' ' 77' ' ' VAL . 3.3 m -140.08 143.36 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 121.923 -0.486 . . . . 0.0 110.679 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 78' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' H' ' 79' ' ' GLN . . . -115.57 117.49 30.48 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 79' ' ' GLN . . . . . 0.445 ' O ' ' O ' ' J' ' 78' ' ' ALA . 35.5 mt-30 -140.58 160.63 39.6 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 80' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.72 -60.31 1.9 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -136.88 145.11 43.97 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 120.948 0.404 . . . . 0.0 110.974 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.71 143.62 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-O 120.981 0.419 . . . . 0.0 110.797 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -146.61 144.05 29.25 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.8 131.29 1.63 Allowed Glycine 0 N--CA 1.466 0.685 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.67 127.53 32.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.782 0.325 . . . . 0.0 110.33 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.43 5.64 68.07 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 30.0 t -80.63 153.06 28.19 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.076 0.465 . . . . 0.0 110.802 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 88' ' ' ILE . . . . . . . . . . . . . 4.7 pt -125.32 130.28 72.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.683 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 89' ' ' ALA . . . . . . . . . . . . . . . -83.8 -60.13 2.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.789 0.328 . . . . 0.0 110.477 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 90' ' ' ALA . . . . . . . . . . . . . . . -134.54 117.51 16.27 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.153 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.42 121.85 11.68 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.945 0.402 . . . . 0.0 110.796 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 92' ' ' THR . . . . . 0.422 ' OG1' HG21 ' J' ' 71' ' ' VAL . 9.8 p -92.53 106.32 18.33 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.86 93.01 0.47 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 94' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -118.82 120.12 36.4 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 120.815 0.341 . . . . 0.0 110.177 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -141.61 123.33 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 121.172 0.51 . . . . 0.0 110.553 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 96' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -123.67 126.09 45.94 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.106 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 97' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -120.12 122.51 41.18 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.501 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 98' ' ' ASP . . . . . 0.477 ' OD1' HD21 ' H' ' 100' ' ' LEU . 52.7 t0 -135.57 60.51 1.69 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.171 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 99' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -108.97 -63.16 1.38 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.798 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 100' ' ' LEU . . . . . . . . . . . . . 58.5 tp -159.11 115.82 2.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.11 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.01 143.67 29.0 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 102' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -88.33 165.63 14.85 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 110.543 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 103' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -79.43 73.43 6.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.134 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 104' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -81.39 74.56 8.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.367 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 105' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -77.84 143.9 37.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.966 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 106' ' ' GLY . . . . . . . . . . . . . . . -166.01 138.51 5.26 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.549 -1.021 . . . . 0.0 110.549 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.44 156.47 73.49 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 108' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -69.65 151.39 69.71 Favored 'Trans proline' 0 N--CA 1.498 1.784 0 C-N-CA 122.212 1.942 . . . . 0.0 111.772 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 109' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -81.99 -7.35 59.61 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.568 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 110' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -143.98 135.08 25.51 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.851 0.358 . . . . 0.0 110.359 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 111' ' ' GLY . . . . . . . . . . . . . . . 177.82 90.82 0.08 OUTLIER Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.691 -0.964 . . . . 0.0 110.691 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 112' ' ' ILE . . . . . . . . . . . . . 38.7 pt -132.99 159.1 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.837 0.351 . . . . 0.0 110.48 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 113' ' ' LEU . . . . . . . . . . . . . 70.3 mt -78.14 142.6 37.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.033 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 114' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -69.68 93.18 0.7 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.898 0.38 . . . . 0.0 110.171 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -79.73 -7.11 58.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.383 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 116' ' ' MET . . . . . . . . . . . . . 89.6 mtp 54.34 68.92 2.38 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.435 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 117' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -50.99 -36.34 53.49 Favored 'Trans proline' 0 N--CA 1.5 1.88 0 C-N-CA 122.927 2.418 . . . . 0.0 111.872 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 118' ' ' VAL . . . . . . . . . . . . . 9.6 p -113.61 138.75 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.264 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 119' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -134.59 152.28 77.48 Favored Pre-proline 0 N--CA 1.477 0.9 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.309 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 120' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -41.34 135.51 2.83 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 121.912 1.741 . . . . 0.0 112.231 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -74.45 78.32 1.92 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.179 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 122' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -97.85 129.3 44.82 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.869 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 123' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' I' ' 126' ' ' GLU . 99.1 mt-10 -62.9 -36.56 83.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.525 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.13 91.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 125' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -93.38 -7.44 44.68 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.59 0.233 . . . . 0.0 111.029 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 126' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' I' ' 123' ' ' GLU . 75.0 mm-40 -129.83 122.81 29.46 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 120.745 0.307 . . . . 0.0 110.338 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 97.9 mmm -132.79 73.11 76.49 Favored Pre-proline 0 N--CA 1.476 0.868 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 128' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.87 -31.6 81.88 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 C-N-CA 122.742 2.294 . . . . 0.0 111.907 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 129' ' ' SER . . . . . . . . . . . . . 96.3 p -61.69 -22.89 65.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.861 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 130' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -125.51 130.25 51.38 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 120.834 0.35 . . . . 0.0 110.425 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 131' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -110.24 123.29 49.52 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.194 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 132' ' ' GLY . . . . . . . . . . . . . . . 83.22 171.03 47.0 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 133' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -100.6 5.36 43.91 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 120.775 0.321 . . . . 0.0 110.625 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 134' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -51.16 131.84 27.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.695 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 135' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -97.3 133.84 41.38 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.76 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 136' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -75.6 130.25 38.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.555 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 137' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -153.76 56.1 1.51 Allowed Pre-proline 0 N--CA 1.463 0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.404 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 138' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.99 148.13 50.52 Favored 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.741 2.294 . . . . 0.0 112.148 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 139' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' I' ' 139' ' ' GLU . 19.7 pm0 -70.78 -15.66 62.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.149 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.48 179.777 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' J' J ' 1' ' ' MET . . . . . . . . . . . . . 87.4 mmm . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' J' J ' 2' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -82.41 109.78 16.96 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.836 0.35 . . . . 0.0 110.444 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 3' ' ' VAL . . . . . . . . . . . . . 15.9 t -63.46 146.26 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.224 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 64.65 87.32 0.12 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.359 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 5' ' ' MET . . . . . . . . . . . . . 76.4 mtm -61.3 -36.66 80.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.484 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 6' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -52.11 141.72 17.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.701 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.88 179.93 35.95 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 8' ' ' LEU . . . . . 0.534 HD22 ' N ' ' J' ' 8' ' ' LEU . 3.9 mm? 51.3 28.15 4.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.194 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 9' ' ' SER . . . . . . . . . . . . . 75.6 m -62.53 -40.09 95.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.798 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 10' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -84.34 126.57 33.33 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.687 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.16 146.02 45.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.973 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 12' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -62.12 -41.28 98.07 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.775 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 13' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -163.53 146.21 9.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.286 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.43 -158.09 50.16 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 15' ' ' VAL . . . . . . . . . . . . . 35.2 m -130.15 154.53 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-O 120.953 0.406 . . . . 0.0 110.558 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 16' ' ' VAL . . . . . . . . . . . . . 29.5 m -80.0 -30.78 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.804 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.71 141.99 58.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.458 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.62 136.13 57.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.408 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.17 95.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.502 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 20' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -76.12 136.19 39.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.668 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 21' ' ' LYS . . . . . 0.445 ' NZ ' ' CB ' ' J' ' 21' ' ' LYS . 8.7 mtpm? -81.48 140.63 34.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.506 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 22' ' ' THR . . . . . . . . . . . . . 72.5 p -77.66 160.46 28.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.124 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 23' ' ' LYS . . . . . . . . . . . . . 37.9 tptt 42.43 89.45 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.786 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 24' ' ' GLN . . . . . 0.505 ' OE1' ' N ' ' J' ' 24' ' ' GLN . 10.2 pm0 -76.21 -167.19 0.72 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.31 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.68 20.36 66.19 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 26' ' ' VAL . . . . . . . . . . . . . 13.4 p -51.45 -29.54 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.775 0.321 . . . . 0.0 110.668 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 27' ' ' ALA . . . . . . . . . . . . . . . -158.48 -160.03 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.396 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 28' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 56.15 -118.25 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.626 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.53 121.38 41.49 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.906 0.384 . . . . 0.0 110.838 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.0 136.1 31.79 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.54 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.3 63.35 4.01 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 32' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -63.85 156.42 27.53 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.081 0.467 . . . . 0.0 110.766 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 33' ' ' THR . . . . . 0.445 ' H ' HG22 ' J' ' 33' ' ' THR . 0.0 OUTLIER -65.69 101.56 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.805 -178.453 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' J' J ' 34' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -57.43 141.62 46.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.198 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 35' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -107.98 120.15 41.49 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.729 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.53 -112.84 0.01 OUTLIER Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 37' ' ' VAL . . . . . 0.42 ' H ' HG12 ' I' ' 37' ' ' VAL . 14.7 m -130.02 148.82 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 38' ' ' LEU . . . . . . . . . . . . . 20.9 mt -116.71 129.56 56.2 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 39' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -125.95 117.25 22.88 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 120.865 0.364 . . . . 0.0 110.332 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 68.5 t -131.37 119.07 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.539 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.58 70.24 1.13 Allowed Glycine 0 C--N 1.337 0.603 0 C-N-CA 120.04 -1.076 . . . . 0.0 111.026 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 42' ' ' SER . . . . . . . . . . . . . 67.6 m -136.53 137.03 39.84 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 120.9 0.381 . . . . 0.0 110.619 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 43' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -117.5 126.6 52.89 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.942 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 44' ' ' THR . . . . . . . . . . . . . 88.3 m -132.62 126.63 33.15 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.945 0.403 . . . . 0.0 110.258 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 45' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -138.55 135.66 35.27 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.146 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 46' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -140.87 116.58 10.28 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.897 0.379 . . . . 0.0 110.173 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.64 78.76 0.4 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 48' ' ' VAL . . . . . . . . . . . . . 98.7 t -143.31 137.45 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 115.773 -0.213 . . . . 0.0 110.446 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.53 143.11 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-O 121.234 0.54 . . . . 0.0 110.695 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 50' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -144.6 119.81 10.15 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.087 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.59 135.62 9.05 Favored Glycine 0 N--CA 1.477 1.375 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 52' ' ' VAL . . . . . . . . . . . . . 89.7 t -129.41 125.93 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.32 127.73 40.05 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 120.948 0.404 . . . . 0.0 110.55 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 54' ' ' THR . . . . . . . . . . . . . 92.3 m -127.28 126.32 42.43 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.173 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 55' ' ' VAL . . . . . . . . . . . . . 85.1 t -127.96 123.0 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.282 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.42 -79.57 0.35 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.724 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.67 -164.18 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.346 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 58' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' I' ' 58' ' ' LYS . 44.7 pttt -103.11 157.09 17.23 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.657 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 59' ' ' THR . . . . . . . . . . . . . 82.8 p -79.75 -36.8 36.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.464 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 60' ' ' LYS . . . . . . . . . . . . . 32.0 tttp 74.03 66.11 0.09 Allowed 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.647 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 61' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' I' ' 60' ' ' LYS . 95.3 mt-10 -99.52 81.19 2.47 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 120.943 0.401 . . . . 0.0 110.93 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -71.1 -84.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.105 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 63' ' ' VAL . . . . . . . . . . . . . 88.0 t -115.49 121.31 66.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.826 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 64' ' ' THR . . . . . . . . . . . . . 90.4 m -123.92 126.83 47.05 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 120.769 0.319 . . . . 0.0 110.158 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 65' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -130.14 115.01 16.44 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.619 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 66' ' ' VAL . . . . . . . . . . . . . 90.5 t -132.91 130.8 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-O 120.87 0.367 . . . . 0.0 110.88 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.56 -59.23 3.32 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.2 -107.58 0.08 OUTLIER Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.3 154.47 47.93 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.853 0.358 . . . . 0.0 110.53 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.09 131.8 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-O 121.228 0.537 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 71' ' ' VAL . . . . . 0.422 HG21 ' OG1' ' I' ' 92' ' ' THR . 57.6 t -127.06 124.12 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.912 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 72' ' ' THR . . . . . . . . . . . . . 71.9 p -126.24 146.84 49.83 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.066 0.46 . . . . 0.0 110.8 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.09 -126.57 6.94 Favored Glycine 0 N--CA 1.473 1.127 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.21 130.53 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-O 121.333 0.587 . . . . 0.0 111.321 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 75' ' ' THR . . . . . . . . . . . . . 87.7 m -131.03 128.16 39.75 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.638 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.81 139.47 38.22 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 120.832 0.348 . . . . 0.0 110.708 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 77' ' ' VAL . . . . . 0.401 HG12 HG22 ' I' ' 77' ' ' VAL . 3.4 m -139.96 143.53 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.646 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 78' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' I' ' 79' ' ' GLN . . . -115.72 117.61 30.73 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 79' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -140.85 160.0 41.0 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 80' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.3 -59.33 2.03 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -137.93 144.9 41.48 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.988 0.423 . . . . 0.0 110.818 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.77 143.61 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 120.878 0.371 . . . . 0.0 110.665 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -146.71 144.12 29.21 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.68 131.19 1.63 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.68 127.44 32.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.865 0.364 . . . . 0.0 110.398 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.49 5.69 68.56 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 87' ' ' SER . . . . . . . . . . . . . 29.0 t -80.71 152.73 28.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.834 0.349 . . . . 0.0 110.716 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 88' ' ' ILE . . . . . . . . . . . . . 4.7 pt -124.98 130.46 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 89' ' ' ALA . . . . . . . . . . . . . . . -83.77 -59.93 2.27 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.884 0.373 . . . . 0.0 110.493 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 90' ' ' ALA . . . . . . . . . . . . . . . -134.9 117.71 16.15 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.16 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.58 121.93 11.62 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.928 0.395 . . . . 0.0 110.721 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 92' ' ' THR . . . . . . . . . . . . . 10.7 p -92.59 106.42 18.4 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.913 0.387 . . . . 0.0 110.115 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.76 92.93 0.46 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 94' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -118.78 120.09 36.34 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -141.43 123.25 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-O 121.03 0.443 . . . . 0.0 110.538 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 96' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -124.43 129.51 50.79 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.252 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 97' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -127.01 146.14 50.46 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.105 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 98' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -66.97 162.3 22.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.181 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 99' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -143.15 76.41 1.52 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.168 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 100' ' ' LEU . . . . . . . . . . . . . 53.0 mt -108.72 147.05 32.54 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.087 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.17 -121.99 0.33 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 102' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp 55.33 -127.8 2.16 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.251 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 103' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 55.56 35.19 24.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.933 0.397 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 104' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.83 -39.8 91.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.422 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 105' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -138.18 179.69 6.3 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.714 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.56 13.17 68.14 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.39 151.31 97.28 Favored Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 110.345 -0.242 . . . . 0.0 110.345 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 108' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -64.59 -10.74 25.62 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 122.631 2.221 . . . . 0.0 111.877 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 109' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -59.5 -37.4 78.18 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 110' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -77.75 133.86 38.18 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 111' ' ' GLY . . . . . . . . . . . . . . . -98.09 145.51 17.81 Favored Glycine 0 N--CA 1.47 0.934 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 112' ' ' ILE . . . . . . . . . . . . . 86.5 mt -114.02 124.23 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-O 120.81 0.338 . . . . 0.0 110.431 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 113' ' ' LEU . . . . . . . . . . . . . 59.4 tp -124.76 127.72 47.65 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.989 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 114' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -66.01 125.15 24.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.402 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -101.15 179.45 4.37 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.511 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 116' ' ' MET . . . . . . . . . . . . . 77.6 mmm 46.78 67.91 3.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.505 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 117' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -52.98 -34.57 67.73 Favored 'Trans proline' 0 N--CA 1.5 1.875 0 C-N-CA 122.762 2.308 . . . . 0.0 112.147 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 118' ' ' VAL . . . . . . . . . . . . . 13.6 m -66.59 -20.3 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.992 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 119' ' ' ASP . . . . . . . . . . . . . 44.5 t0 48.54 78.95 0.37 Allowed Pre-proline 0 CA--C 1.529 0.172 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.531 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 120' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -80.65 153.08 20.07 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 122.271 1.981 . . . . 0.0 112.018 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -61.61 135.32 57.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.635 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 122' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -99.88 -179.65 4.23 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.549 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 123' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -84.59 96.59 9.22 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.927 0.394 . . . . 0.0 110.483 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 124' ' ' ALA . . . . . . . . . . . . . . . -94.69 3.62 54.83 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.475 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 125' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -73.02 75.33 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.764 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 126' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -94.61 56.09 2.02 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.559 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 13.6 tpt -140.92 69.44 29.29 Favored Pre-proline 0 N--CA 1.473 0.68 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.177 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 128' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -75.04 154.35 42.25 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 122.191 1.927 . . . . 0.0 112.001 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 129' ' ' SER . . . . . . . . . . . . . 38.5 t -61.67 138.44 58.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.583 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 130' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -136.53 146.73 46.53 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.634 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 131' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -74.16 146.4 43.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.626 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 132' ' ' GLY . . . . . . . . . . . . . . . 163.5 147.41 5.05 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 133' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -139.41 149.36 43.99 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.863 0.363 . . . . 0.0 110.517 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 134' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -63.1 -41.4 99.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.639 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 135' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -125.76 145.68 50.1 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.606 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 136' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -140.46 106.7 5.24 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.525 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 137' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -160.92 71.33 2.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.465 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 138' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.42 133.46 58.2 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.629 2.22 . . . . 0.0 111.978 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 139' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -95.6 -21.27 18.35 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.425 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.615 179.936 . . . . . . . . 0 0 . 1 stop_ save_