data_2lfp_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 2lfp _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.76 -39.99 79.99 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 125.065 1.346 . . . . 0.0 114.042 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -46.36 90.18 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 127.536 2.334 . . . . 0.0 113.837 175.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.667 1.1 tpt180 -72.55 -36.43 68.25 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-O 124.709 2.195 . . . . 0.0 114.145 176.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.64 -23.68 52.46 Favored 'General case' 0 CA--C 1.567 1.606 0 O-C-N 119.436 -2.04 . . . . 0.0 115.263 163.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.301 0.2 OUTLIER -63.6 -29.58 70.81 Favored 'General case' 0 C--N 1.385 2.136 0 O-C-N 119.019 -2.301 . . . . 0.0 113.33 165.077 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.251 2.2 tt0 -69.32 -37.14 77.59 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 126.21 1.804 . . . . 0.0 110.072 171.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -63.99 -36.86 85.36 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 166.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.0 -33.52 68.16 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 127.321 2.248 . . . . 0.0 111.679 174.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.4 ' HA ' ' OD1' ' A' ' 17' ' ' ASN . 57.1 m -70.42 -39.24 74.53 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 127.54 2.336 . . . . 0.0 110.89 173.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.1 t -65.42 -30.84 51.43 Favored 'Isoleucine or valine' 0 C--N 1.374 1.635 0 O-C-N 120.154 -1.591 . . . . 0.0 111.432 168.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -68.53 -36.18 78.47 Favored 'General case' 0 C--N 1.368 1.378 0 O-C-N 119.686 -1.884 . . . . 0.0 115.506 170.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.4 ' OD1' ' HA ' ' A' ' 14' ' ' THR 0.302 1.2 p-10 -68.82 -36.39 78.15 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 121.057 1.753 . . . . 0.0 113.371 165.651 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.03 -40.38 95.51 Favored 'General case' 0 C--N 1.376 1.734 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 171.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -77.5 -27.27 51.79 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 124.488 1.115 . . . . 0.0 113.127 173.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 m -80.89 -20.53 42.0 Favored 'General case' 0 C--N 1.378 1.823 0 O-C-N 120.624 -1.297 . . . . 0.0 113.122 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -88.69 93.13 9.46 Favored 'General case' 0 C--N 1.36 1.044 0 CA-C-O 124.658 2.17 . . . . 0.0 112.546 -178.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.289 5.4 pt20 -51.78 -39.57 62.72 Favored Pre-proline 0 C--N 1.362 1.11 0 C-N-CA 129.88 3.272 . . . . 0.0 118.363 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -65.08 -19.59 63.32 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 124.777 3.651 . . . . 0.0 115.417 169.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 tt -78.86 -43.85 24.15 Favored 'General case' 0 C--N 1.376 1.726 0 CA-C-N 122.493 2.406 . . . . 0.0 114.475 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.4 ptm -57.88 -25.97 61.48 Favored 'General case' 0 C--N 1.357 0.905 1 C-N-CA 132.048 4.139 . . . . 0.0 116.521 175.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -82.29 -22.01 35.9 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 126.207 1.803 . . . . 0.0 111.233 173.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 45.3 ttm -92.68 -30.95 15.3 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 127.893 2.477 . . . . 0.0 112.897 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.414 HG21 HG12 ' A' ' 31' ' ' VAL . 5.4 m -123.64 148.84 27.54 Favored 'Isoleucine or valine' 0 C--N 1.365 1.246 0 O-C-N 120.057 -1.652 . . . . 0.0 107.395 175.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -99.51 -8.52 24.51 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 118.84 -2.412 . . . . 0.0 109.702 170.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.524 ' HB3' ' HB2' ' A' ' 43' ' ' TYR 0.761 0.0 OUTLIER -122.88 40.96 3.57 Favored 'General case' 0 CA--C 1.478 -1.793 0 N-CA-C 121.523 3.897 . . . . 0.0 121.523 -158.834 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.414 HG12 HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -85.83 107.75 16.69 Favored 'Isoleucine or valine' 0 C--N 1.373 1.629 0 CA-C-N 123.022 2.647 . . . . 0.0 105.672 176.297 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.3 t -137.1 153.78 50.45 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 111.142 -2.754 . . . . 0.0 109.443 -173.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -92.14 45.95 1.24 Allowed 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.076 -1.64 . . . . 0.0 113.879 -178.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.429 16.9 m 116.98 -59.33 0.0 OUTLIER Pre-proline 0 C--N 1.358 0.948 0 C-N-CA 128.917 2.887 . . . . 0.0 112.779 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -72.41 136.43 26.28 Favored 'Trans proline' 0 C--N 1.359 1.126 0 CA-C-N 127.377 3.67 . . . . 0.0 114.386 -175.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.67 46.57 0.72 Allowed Glycine 0 C--N 1.355 1.629 0 N-CA-C 109.211 -1.556 . . . . 0.0 109.211 -177.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.25 -21.66 33.28 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 127.126 2.17 . . . . 0.0 112.359 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -104.74 16.02 26.81 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 129.641 3.177 . . . . 0.0 111.245 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.87 162.42 28.95 Favored Pre-proline 0 C--N 1.363 1.153 0 C-N-CA 124.729 1.211 . . . . 0.0 110.874 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -64.29 147.14 90.98 Favored 'Trans proline' 0 C--N 1.363 1.318 0 C-N-CA 124.249 3.299 . . . . 0.0 117.842 -167.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -87.04 137.41 33.14 Favored Pre-proline 0 C--N 1.35 0.595 0 C-N-CA 128.731 2.812 . . . . 0.0 111.021 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -75.84 148.22 89.8 Favored 'Cis proline' 0 C--N 1.363 1.314 0 CA-C-N 123.983 2.458 . . . . 0.0 113.447 -0.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.524 ' HB2' ' HB3' ' A' ' 30' ' ' GLN . 2.1 p90 -169.68 166.14 9.91 Favored 'General case' 0 CA--C 1.579 2.084 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 -175.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 p -138.97 135.05 42.53 Favored 'Isoleucine or valine' 0 C--N 1.407 3.076 0 N-CA-C 117.736 2.495 . . . . 0.0 117.736 -176.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.1 m -115.15 140.41 36.61 Favored 'Isoleucine or valine' 0 C--N 1.36 1.031 0 O-C-N 119.359 -2.088 . . . . 0.0 110.543 171.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 52.1 mt -96.44 138.96 20.32 Favored 'Isoleucine or valine' 0 C--N 1.366 1.293 0 C-N-CA 126.715 2.006 . . . . 0.0 109.958 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 179.24 -124.85 0.93 Allowed Glycine 0 C--N 1.365 2.139 0 C-N-CA 124.762 1.172 . . . . 0.0 114.44 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -145.14 162.14 37.78 Favored 'General case' 0 C--N 1.368 1.412 0 C-N-CA 127.219 2.207 . . . . 0.0 108.589 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 . . . . . 0 C--N 1.362 1.141 0 C-N-CA 125.087 1.355 . . . . 0.0 110.682 -179.463 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.447 -0.587 0 CA-C-O 121.372 0.606 . . . . 0.0 110.139 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.25 131.65 72.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 C-N-CA 131.191 3.796 . . . . 0.0 102.741 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.2 m -131.54 136.11 47.59 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 118.888 -2.383 . . . . 0.0 109.229 -176.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.7 ttt -145.93 126.71 14.38 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 124.632 1.173 . . . . 0.0 110.278 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -116.73 151.06 37.18 Favored 'General case' 0 C--N 1.361 1.076 0 CA-C-O 122.74 1.257 . . . . 0.0 108.281 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -129.09 133.97 47.89 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 128.169 2.587 . . . . 0.0 105.729 -178.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.558 ' HD1' HG12 ' A' ' 124' ' ' ILE . 32.6 m-70 -126.21 119.13 26.68 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 125.462 1.505 . . . . 0.0 107.107 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.1 t -120.72 128.65 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.062 0 C-N-CA 124.906 1.282 . . . . 0.0 109.274 -170.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -122.19 106.63 11.31 Favored 'General case' 0 C--N 1.362 1.147 0 N-CA-C 106.86 -1.534 . . . . 0.0 106.86 173.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -85.91 -53.51 2.99 Favored Glycine 0 C--N 1.364 2.105 0 C-N-CA 126.831 2.158 . . . . 0.0 109.749 176.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.6 40.18 15.94 Favored Glycine 0 C--N 1.365 2.162 0 C-N-CA 126.39 1.948 . . . . 0.0 116.034 175.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.6 p -127.64 -119.52 0.25 Allowed 'General case' 0 C--N 1.358 0.973 0 CA-C-N 118.54 1.17 . . . . 0.0 111.162 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 p -122.39 168.92 11.49 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 127.019 2.127 . . . . 0.0 111.204 -172.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.05 -36.08 37.92 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 131.009 3.724 . . . . 0.0 119.26 -166.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.19 -35.64 78.31 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 127.787 2.435 . . . . 0.0 114.463 175.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -71.03 -33.08 69.98 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 126.691 1.996 . . . . 0.0 113.265 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.57 78.51 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 126.369 1.868 . . . . 0.0 113.686 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -77.45 -33.94 54.58 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 124.845 1.258 . . . . 0.0 112.309 172.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -66.42 -46.0 77.98 Favored 'General case' 0 C--N 1.372 1.582 0 C-N-CA 126.43 1.892 . . . . 0.0 112.812 171.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.7 pt -65.75 -42.76 93.12 Favored 'Isoleucine or valine' 0 C--N 1.373 1.596 0 CA-C-N 121.255 1.843 . . . . 0.0 113.838 173.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . 0.346 68.6 p -68.59 -44.04 75.21 Favored 'General case' 0 C--N 1.376 1.753 0 C-N-CA 125.965 1.706 . . . . 0.0 113.853 175.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.9 t -68.2 -36.16 79.13 Favored 'General case' 0 C--N 1.371 1.531 0 O-C-N 119.956 -1.715 . . . . 0.0 113.105 172.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -66.42 -42.94 87.02 Favored 'General case' 0 C--N 1.371 1.502 0 C-N-CA 125.048 1.339 . . . . 0.0 112.681 174.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.351 0.7 OUTLIER -64.64 -43.2 96.67 Favored 'Isoleucine or valine' 0 C--N 1.382 2.016 0 CA-C-N 120.375 1.443 . . . . 0.0 113.877 173.116 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.5 mp -71.54 -36.8 71.11 Favored 'General case' 0 C--N 1.378 1.844 0 O-C-N 119.233 -2.167 . . . . 0.0 113.016 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.31 -34.3 75.01 Favored 'General case' 0 C--N 1.38 1.908 0 C-N-CA 126.362 1.865 . . . . 0.0 112.28 172.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.25 -51.67 50.2 Favored 'General case' 0 C--N 1.372 1.567 0 CA-C-O 122.055 0.931 . . . . 0.0 111.691 167.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.3 mp -49.76 -30.15 8.98 Favored 'General case' 0 C--N 1.374 1.659 0 C-N-CA 128.939 2.895 . . . . 0.0 118.05 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.352 0.2 OUTLIER -117.97 9.53 12.83 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 124.921 1.289 . . . . 0.0 112.039 169.347 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -49.86 36.25 Favored 'General case' 0 C--N 1.372 1.572 0 O-C-N 119.02 -2.3 . . . . 0.0 107.578 176.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.348 5.7 ptpt -115.52 122.31 33.14 Favored Pre-proline 0 C--N 1.356 0.89 0 N-CA-C 104.641 -2.355 . . . . 0.0 104.641 171.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -62.11 147.83 94.33 Favored 'Trans proline' 0 C--N 1.37 1.688 0 C-N-CA 124.73 3.62 . . . . 0.0 115.109 -173.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 60.8 mt -83.22 107.79 16.01 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-O 123.949 1.833 . . . . 0.0 115.542 -172.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 46.3 ttm -143.62 153.48 42.57 Favored 'General case' 0 N--CA 1.424 -1.731 0 N-CA-C 105.19 -2.152 . . . . 0.0 105.19 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -133.49 145.83 50.54 Favored 'General case' 0 N--CA 1.442 -0.863 1 C-N-CA 131.9 4.08 . . . . 0.0 101.167 178.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -49.64 77.59 0.0 OUTLIER 'General case' 0 C--N 1.349 0.58 1 C-N-CA 133.45 4.7 . . . . 0.0 117.157 -173.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 106.96 -6.4 37.27 Favored Glycine 0 C--N 1.353 1.512 0 C-N-CA 127.61 2.529 . . . . 0.0 112.651 -175.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -122.35 125.47 46.01 Favored 'General case' 0 C--N 1.367 1.356 0 CA-C-N 118.708 1.254 . . . . 0.0 114.262 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.1 m -115.3 144.02 44.39 Favored 'General case' 0 C--N 1.364 1.202 0 O-C-N 120.003 -1.686 . . . . 0.0 110.261 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.22 143.72 27.2 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 129.972 3.309 . . . . 0.0 104.319 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 37.7 t -114.99 139.67 40.05 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 C-N-CA 126.683 1.993 . . . . 0.0 109.008 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.62 108.82 14.59 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 125.029 1.332 . . . . 0.0 109.37 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? . . . . . 0 C--N 1.351 0.641 0 C-N-CA 125.651 1.58 . . . . 0.0 107.6 -170.096 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 54.1 m170 . . . . . 0 N--CA 1.448 -0.529 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -122.18 124.26 5.68 Favored Glycine 0 C--N 1.357 1.716 0 N-CA-C 108.002 -2.039 . . . . 0.0 108.002 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.558 HG12 ' HD1' ' A' ' 69' ' ' HIS . 0.1 OUTLIER -116.22 118.76 59.84 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 N-CA-C 102.884 -3.006 . . . . 0.0 102.884 177.188 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.8 127.13 75.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 -173.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -123.49 120.28 32.45 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 18.0 t -125.47 141.61 44.81 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 CA-C-O 122.87 1.319 . . . . 0.0 108.001 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -132.54 140.25 48.22 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 126.432 1.893 . . . . 0.0 106.051 175.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -123.83 139.73 53.68 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 102.581 -3.118 . . . . 0.0 102.581 -176.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 52.5 m -122.77 137.77 54.83 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 121.241 0.543 . . . . 0.0 109.815 -172.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.1 pt . . . . . 0 C--N 1.361 1.095 0 N-CA-C 100.833 -3.765 . . . . 0.0 100.833 171.567 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.5 tp . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 122.434 1.112 . . . . 0.0 111.735 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.71 -35.07 68.09 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 129.132 2.973 . . . . 0.0 114.563 174.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 63.9 m -65.89 -48.2 72.28 Favored 'General case' 0 C--N 1.376 1.722 0 C-N-CA 126.062 1.745 . . . . 0.0 112.48 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.889 7.2 tpp85 -74.55 -37.03 63.11 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 118.631 -2.543 . . . . 0.0 117.576 170.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.85 -23.78 20.08 Favored 'General case' 0 CA--C 1.558 1.266 0 O-C-N 118.593 -2.567 . . . . 0.0 115.447 169.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 tp -60.11 -37.29 79.56 Favored 'General case' 0 C--N 1.375 1.681 0 C-N-CA 127.211 2.204 . . . . 0.0 112.505 163.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.28 -38.01 81.26 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 127.183 2.193 . . . . 0.0 110.251 176.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.464 0.0 OUTLIER -67.29 -30.76 70.7 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 116.427 2.01 . . . . 0.0 116.427 166.128 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.13 -33.83 68.1 Favored 'General case' 0 C--N 1.366 1.31 0 O-C-N 119.544 -1.972 . . . . 0.0 113.313 172.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.4 m -71.3 -34.87 71.01 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 128.709 2.804 . . . . 0.0 112.08 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.4 t -68.66 -31.21 49.99 Favored 'Isoleucine or valine' 0 C--N 1.37 1.46 0 C-N-CA 126.509 1.924 . . . . 0.0 109.157 168.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -67.22 -31.81 72.43 Favored 'General case' 0 C--N 1.372 1.587 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 169.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -59.77 -49.92 75.83 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 125.435 1.494 . . . . 0.0 113.131 161.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.5 mp -55.93 -37.3 68.78 Favored 'General case' 0 C--N 1.369 1.446 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -90.18 -15.32 31.71 Favored 'General case' 0 C--N 1.369 1.417 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 173.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -90.95 -25.38 19.79 Favored 'General case' 0 C--N 1.381 1.971 0 CA-C-N 121.524 1.965 . . . . 0.0 110.805 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.436 ' HB2' ' CD2' ' A' ' 92' ' ' TYR . 16.4 t80 -75.91 103.34 5.94 Favored 'General case' 0 C--N 1.364 1.206 0 CA-C-O 122.931 1.348 . . . . 0.0 112.576 177.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -40.0 -49.44 5.99 Favored Pre-proline 0 C--N 1.364 1.199 1 C-N-CA 132.324 4.249 . . . . 0.0 117.864 -172.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.94 -22.85 62.4 Favored 'Trans proline' 0 C--N 1.358 1.037 0 C-N-CA 124.686 3.59 . . . . 0.0 114.808 173.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.8 mt -69.35 -20.97 63.84 Favored 'General case' 0 C--N 1.373 1.627 0 CA-C-N 121.851 2.114 . . . . 0.0 114.381 177.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 59.4 mtt -64.7 -29.77 70.77 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 128.127 2.571 . . . . 0.0 113.157 172.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -95.21 -30.14 14.15 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 128.169 2.588 . . . . 0.0 112.377 176.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.5 tpp -88.25 -31.05 19.23 Favored 'General case' 0 C--N 1.362 1.112 0 N-CA-C 119.028 2.973 . . . . 0.0 119.028 -173.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 p -131.03 147.15 33.06 Favored 'Isoleucine or valine' 0 C--N 1.367 1.347 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.25 8.9 t-20 -99.68 -27.18 13.79 Favored 'General case' 0 C--N 1.361 1.098 0 CA-C-O 124.708 2.194 . . . . 0.0 111.77 173.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.453 8.5 mm100 -120.74 39.91 3.66 Favored 'General case' 0 N--CA 1.423 -1.81 1 C-N-CA 133.152 4.581 . . . . 0.0 116.284 -152.101 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 p -87.63 110.05 20.25 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 CA-C-O 124.724 2.202 . . . . 0.0 107.032 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.0 t -142.02 149.02 39.44 Favored 'General case' 0 C--N 1.348 0.5 0 CA-C-N 112.315 -2.22 . . . . 0.0 109.428 -169.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -84.34 53.35 2.61 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -176.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.639 93.2 p 110.59 -60.65 0.0 OUTLIER Pre-proline 0 C--N 1.354 0.795 0 C-N-CA 128.677 2.791 . . . . 0.0 114.207 178.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -70.11 148.14 62.12 Favored 'Trans proline' 0 C--N 1.361 1.215 0 CA-C-N 127.444 3.694 . . . . 0.0 113.91 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.64 26.1 5.73 Favored Glycine 0 C--N 1.36 1.872 0 CA-C-N 119.221 0.919 . . . . 0.0 111.081 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -20.3 62.33 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 130.81 3.644 . . . . 0.0 113.669 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -106.46 15.33 26.09 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 127.735 2.414 . . . . 0.0 112.245 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.2 169.71 8.28 Favored Pre-proline 0 C--N 1.365 1.245 0 CA-C-O 117.082 -1.437 . . . . 0.0 111.536 -177.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.58 143.83 93.84 Favored 'Trans proline' 0 C--N 1.366 1.466 0 C-N-CA 125.208 3.939 . . . . 0.0 120.963 -168.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -91.26 137.8 26.02 Favored Pre-proline 0 C--N 1.356 0.886 0 C-N-CA 129.402 3.081 . . . . 0.0 112.009 -176.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.2 148.58 92.27 Favored 'Cis proline' 0 C--N 1.365 1.432 0 CA-C-N 123.916 2.434 . . . . 0.0 113.14 -3.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -171.46 167.15 6.81 Favored 'General case' 0 C--N 1.368 1.383 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -173.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.3 p -138.87 135.23 42.83 Favored 'Isoleucine or valine' 0 C--N 1.395 2.574 0 N-CA-C 117.523 2.416 . . . . 0.0 117.523 -176.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.1 m -113.05 134.76 54.68 Favored 'Isoleucine or valine' 0 C--N 1.366 1.309 0 O-C-N 120.198 -1.564 . . . . 0.0 108.674 168.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.9 mm -88.05 135.02 26.49 Favored 'Isoleucine or valine' 0 C--N 1.366 1.31 0 C-N-CA 127.262 2.225 . . . . 0.0 107.246 175.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -165.59 -142.33 3.39 Favored Glycine 0 C--N 1.347 1.192 0 O-C-N 120.236 -1.54 . . . . 0.0 112.389 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -145.33 144.22 30.59 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 125.172 1.389 . . . . 0.0 110.739 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? . . . . . 0 C--N 1.362 1.133 0 C-N-CA 127.453 2.301 . . . . 0.0 108.024 176.687 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.0 m120 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 122.877 1.322 . . . . 0.0 108.503 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mp -122.06 127.02 75.19 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 N-CA-C 100.741 -3.8 . . . . 0.0 100.741 174.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.0 t -129.96 131.6 46.0 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.2 ttt -138.58 141.52 39.2 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 127.033 2.133 . . . . 0.0 107.984 -173.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.35 163.16 28.47 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-O 122.701 1.239 . . . . 0.0 109.352 177.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -135.55 141.86 45.28 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 126.447 1.899 . . . . 0.0 106.523 173.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -113.3 119.06 36.38 Favored 'General case' 0 C--N 1.363 1.184 0 N-CA-C 101.092 -3.67 . . . . 0.0 101.092 173.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.0 t -123.37 129.35 74.83 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.24 0 N-CA-C 104.535 -2.395 . . . . 0.0 104.535 -169.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -124.41 121.08 33.93 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 176.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.67 140.21 14.79 Favored Glycine 0 C--N 1.362 2.0 0 C-N-CA 125.109 1.338 . . . . 0.0 113.286 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -126.28 179.16 16.41 Favored Glycine 0 C--N 1.355 1.636 0 C-N-CA 126.398 1.951 . . . . 0.0 108.496 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.294 7.5 m 87.12 -81.51 0.01 OUTLIER 'General case' 0 C--N 1.359 0.981 0 C-N-CA 129.181 2.992 . . . . 0.0 110.424 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.0 p -144.12 172.76 12.45 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -59.23 -34.8 72.64 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 129.374 3.07 . . . . 0.0 116.32 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.7 -36.23 67.81 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 127.866 2.466 . . . . 0.0 113.545 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -71.54 -33.75 69.41 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.625 1.97 . . . . 0.0 113.366 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.04 -40.59 78.49 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 128.659 2.783 . . . . 0.0 112.898 169.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -66.31 -42.64 87.99 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 126.873 2.069 . . . . 0.0 111.992 175.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -58.72 -48.19 82.01 Favored 'General case' 0 C--N 1.377 1.784 0 C-N-CA 128.862 2.865 . . . . 0.0 112.956 172.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.284 7.1 pt -58.85 -40.7 80.74 Favored 'Isoleucine or valine' 0 C--N 1.378 1.829 0 CA-C-N 121.858 2.117 . . . . 0.0 113.496 172.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . 0.269 49.7 p -64.56 -46.73 81.52 Favored 'General case' 0 C--N 1.378 1.841 0 O-C-N 120.395 -1.441 . . . . 0.0 114.722 171.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.8 p -68.31 -39.13 82.12 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 126.147 1.779 . . . . 0.0 115.125 176.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 65.7 mmt-85 -71.41 -34.17 70.1 Favored 'General case' 0 C--N 1.378 1.822 0 C-N-CA 125.417 1.487 . . . . 0.0 112.84 173.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.417 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 46.8 t -67.51 -49.46 70.79 Favored 'Isoleucine or valine' 0 C--N 1.38 1.901 0 O-C-N 120.471 -1.393 . . . . 0.0 112.523 173.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.84 -40.33 97.11 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 119.598 -1.938 . . . . 0.0 113.187 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -62.25 -37.85 87.02 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 126.862 2.065 . . . . 0.0 112.679 170.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.41 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -62.3 -50.02 73.33 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 125.817 1.647 . . . . 0.0 112.131 171.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 86' ' ' VAL . 45.8 mt -49.45 -47.36 48.33 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 126.914 2.086 . . . . 0.0 115.401 177.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.466 0.2 OUTLIER -97.96 9.3 43.11 Favored 'General case' 0 C--N 1.375 1.678 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 167.511 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.436 ' CD2' ' HB2' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -71.3 -54.83 9.49 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 118.109 -2.869 . . . . 0.0 108.782 175.02 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.259 12.5 ptpt -111.71 146.82 35.49 Favored Pre-proline 0 C--N 1.369 1.422 0 C-N-CA 117.759 -1.576 . . . . 0.0 112.343 -178.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.34 125.68 10.97 Favored 'Trans proline' 0 C--N 1.369 1.627 0 C-N-CA 124.17 3.246 . . . . 0.0 111.318 -176.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.36 107.77 4.48 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 124.996 1.318 . . . . 0.0 112.109 -178.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 52.4 ttm -143.92 142.06 30.57 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 125.247 1.419 . . . . 0.0 108.02 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -136.97 111.91 8.91 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 104.38 -2.452 . . . . 0.0 104.38 176.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 59.31 28.58 17.95 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 129.775 3.23 . . . . 0.0 116.076 171.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.07 -0.71 64.41 Favored Glycine 0 C--N 1.354 1.534 0 C-N-CA 126.828 2.156 . . . . 0.0 113.009 -172.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -100.96 125.15 47.54 Favored 'General case' 0 C--N 1.364 1.198 0 CA-C-N 120.483 2.141 . . . . 0.0 110.302 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.2 p -97.82 144.09 27.77 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 128.328 2.651 . . . . 0.0 114.313 -175.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.96 140.51 38.28 Favored 'General case' 0 C--N 1.359 1.016 0 N-CA-C 105.198 -2.149 . . . . 0.0 105.198 177.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.2 t -106.62 119.13 55.61 Favored 'Isoleucine or valine' 0 C--N 1.36 1.028 0 C-N-CA 125.888 1.675 . . . . 0.0 109.407 -169.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.26 138.06 35.78 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 116.654 2.094 . . . . 0.0 116.654 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.1 tttp . . . . . 0 N--CA 1.441 -0.924 0 N-CA-C 101.254 -3.61 . . . . 0.0 101.254 166.943 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 . . . . . 0 N--CA 1.469 0.479 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -132.55 168.13 22.84 Favored Glycine 0 C--N 1.359 1.808 0 CA-C-O 122.392 0.995 . . . . 0.0 114.147 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 7.0 tt -126.6 140.18 49.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 N-CA-C 104.032 -2.581 . . . . 0.0 104.032 171.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 11.7 tt -140.54 138.28 35.98 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -112.13 141.02 46.33 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 126.313 1.845 . . . . 0.0 111.164 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.9 p -123.36 142.01 41.57 Favored 'Isoleucine or valine' 0 C--N 1.363 1.155 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -126.55 140.31 52.55 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 125.716 1.606 . . . . 0.0 109.554 -177.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -131.1 141.42 50.15 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 119.578 -1.951 . . . . 0.0 107.009 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.1 p -111.64 145.08 39.85 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 128.458 2.703 . . . . 0.0 109.252 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 16.3 pt . . . . . 0 C--N 1.365 1.27 0 O-C-N 120.478 -1.388 . . . . 0.0 113.906 176.557 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.4 tp . . . . . 0 N--CA 1.465 0.323 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.4 -40.6 81.23 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 126.154 1.782 . . . . 0.0 113.823 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.409 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 59.3 m -58.56 -47.4 84.35 Favored 'General case' 0 C--N 1.381 1.941 0 C-N-CA 125.624 1.57 . . . . 0.0 113.304 176.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.652 5.6 tpt180 -73.37 -36.59 66.12 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 117.615 2.45 . . . . 0.0 117.615 169.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.15 -22.47 4.28 Favored 'General case' 0 CA--C 1.566 1.559 0 O-C-N 117.608 -3.183 . . . . 0.0 115.316 168.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 102' ' ' PHE . 7.4 tp -55.58 -38.79 69.85 Favored 'General case' 0 C--N 1.377 1.785 0 C-N-CA 126.771 2.028 . . . . 0.0 113.664 160.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -67.67 -36.9 81.56 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 129.068 2.947 . . . . 0.0 109.84 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -64.57 -35.64 81.65 Favored 'General case' 0 CA--C 1.559 1.305 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 166.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.29 -33.0 67.09 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.709 2.404 . . . . 0.0 113.199 172.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 48.6 m -70.98 -39.73 72.31 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 129.398 3.079 . . . . 0.0 110.03 173.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 t -66.0 -31.57 54.28 Favored 'Isoleucine or valine' 0 C--N 1.379 1.88 0 C-N-CA 125.847 1.659 . . . . 0.0 110.875 168.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -68.58 -32.78 72.93 Favored 'General case' 0 C--N 1.372 1.583 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 170.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -62.27 -47.29 84.99 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 126.289 1.836 . . . . 0.0 112.515 162.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.9 mt -62.94 -32.59 73.94 Favored 'General case' 0 C--N 1.364 1.207 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 175.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -88.35 -23.18 23.47 Favored 'General case' 0 C--N 1.367 1.356 0 CA-C-O 118.484 -0.77 . . . . 0.0 112.512 172.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 t -87.28 -24.87 24.21 Favored 'General case' 0 C--N 1.385 2.112 0 CA-C-N 121.153 1.797 . . . . 0.0 112.685 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.459 ' HB2' ' CD2' ' A' ' 92' ' ' TYR . 31.0 t80 -80.91 94.88 6.58 Favored 'General case' 0 C--N 1.368 1.411 0 O-C-N 120.339 -1.476 . . . . 0.0 111.078 177.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.437 4.7 pt20 -40.63 -40.01 1.9 Allowed Pre-proline 0 C--N 1.363 1.154 0 N-CA-C 121.241 3.793 . . . . 0.0 121.241 -174.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -64.57 -20.55 65.72 Favored 'Trans proline' 0 CA--C 1.552 1.4 0 CA-C-N 126.609 3.396 . . . . 0.0 115.649 169.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.9 mt -77.19 -26.99 53.45 Favored 'General case' 0 C--N 1.373 1.62 0 CA-C-N 121.68 2.036 . . . . 0.0 112.995 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 82.4 mtp -62.71 -29.38 70.62 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 128.678 2.791 . . . . 0.0 113.942 176.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -94.9 -8.94 35.72 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 129.2 3.0 . . . . 0.0 111.588 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -99.75 -56.51 2.37 Favored 'General case' 0 C--N 1.36 1.065 0 C-N-CA 126.591 1.956 . . . . 0.0 113.01 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 p -121.12 144.38 30.34 Favored 'Isoleucine or valine' 0 C--N 1.359 1.01 0 O-C-N 119.192 -2.192 . . . . 0.0 109.304 -173.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.303 13.2 t-20 -102.21 -21.47 14.36 Favored 'General case' 0 C--N 1.35 0.607 1 C-N-CA 131.784 4.034 . . . . 0.0 114.202 -177.862 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -136.02 39.38 2.75 Favored 'General case' 0 N--CA 1.432 -1.338 1 CA-C-N 108.341 -4.027 . . . . 0.0 110.63 -148.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.1 p -91.62 108.6 20.18 Favored 'Isoleucine or valine' 0 C--N 1.368 1.396 0 CA-C-O 123.248 1.499 . . . . 0.0 109.514 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 t -146.69 170.14 17.57 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 125.094 1.357 . . . . 0.0 112.423 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -91.36 96.86 10.75 Favored 'General case' 0 C--N 1.363 1.168 0 O-C-N 119.792 -1.817 . . . . 0.0 112.477 177.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.659 85.4 p 88.19 -70.01 0.0 OUTLIER Pre-proline 0 C--N 1.36 1.06 0 N-CA-C 119.087 2.995 . . . . 0.0 119.087 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -68.59 161.45 45.11 Favored 'Trans proline' 0 C--N 1.374 1.903 1 CA-C-N 128.937 4.227 . . . . 0.0 116.129 -177.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.12 -3.43 35.35 Favored Glycine 0 C--N 1.358 1.756 0 O-C-N 121.295 -0.878 . . . . 0.0 112.13 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.67 -30.43 5.49 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 129.844 3.258 . . . . 0.0 117.92 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -105.8 16.38 25.32 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 129.573 3.149 . . . . 0.0 112.721 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.64 163.12 25.39 Favored Pre-proline 0 C--N 1.362 1.12 0 O-C-N 120.134 -1.604 . . . . 0.0 109.607 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -64.79 135.42 44.72 Favored 'Trans proline' 0 C--N 1.361 1.22 0 C-N-CA 124.701 3.601 . . . . 0.0 116.429 -174.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -71.28 139.33 84.48 Favored Pre-proline 0 C--N 1.357 0.933 1 C-N-CA 135.195 5.398 . . . . 0.0 112.252 -175.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -83.75 148.93 60.01 Favored 'Cis proline' 0 C--N 1.366 1.46 0 CA-C-N 124.917 2.792 . . . . 0.0 113.548 1.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . 0.272 14.1 p90 -171.57 168.28 6.4 Favored 'General case' 0 CA--C 1.57 1.749 0 C-N-CA 125.081 1.353 . . . . 0.0 113.675 -176.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.0 t -135.36 131.55 51.72 Favored 'Isoleucine or valine' 0 C--N 1.397 2.661 0 CA-C-O 123.798 1.761 . . . . 0.0 114.714 -172.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.4 m -116.54 132.48 66.05 Favored 'Isoleucine or valine' 0 C--N 1.359 0.999 0 O-C-N 119.797 -1.814 . . . . 0.0 108.066 169.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.5 mt -92.92 134.09 31.97 Favored 'Isoleucine or valine' 0 C--N 1.364 1.2 0 C-N-CA 126.896 2.079 . . . . 0.0 108.205 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.24 -139.05 2.86 Favored Glycine 0 C--N 1.354 1.563 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -142.76 142.86 32.0 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 125.938 1.695 . . . . 0.0 110.646 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 C--N 1.364 1.223 0 N-CA-C 102.973 -2.973 . . . . 0.0 102.973 171.301 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 p30 . . . . . 0 N--CA 1.466 0.337 0 N-CA-C 102.073 -3.306 . . . . 0.0 102.073 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -137.37 122.12 24.2 Favored 'Isoleucine or valine' 0 C--N 1.359 1.021 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 -174.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.6 p -122.83 117.35 25.42 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 42.7 mtp -133.53 156.78 47.18 Favored 'General case' 0 C--N 1.365 1.273 0 CA-C-O 122.471 1.129 . . . . 0.0 112.322 -172.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -145.69 148.45 33.05 Favored 'General case' 0 C--N 1.36 1.055 0 CA-C-O 121.976 0.893 . . . . 0.0 109.709 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -115.74 135.7 53.78 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.696 -1.964 . . . . 0.0 105.696 171.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -113.42 119.39 37.45 Favored 'General case' 0 C--N 1.365 1.259 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 170.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.1 t -123.44 131.34 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.508 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -169.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -124.1 121.14 34.38 Favored 'General case' 0 C--N 1.363 1.192 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 172.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.96 -102.32 1.95 Allowed Glycine 0 C--N 1.367 2.251 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.64 75.93 1.23 Allowed Glycine 0 C--N 1.362 1.986 0 N-CA-C 116.032 1.173 . . . . 0.0 116.032 172.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 100.0 m -161.64 -74.08 0.06 Allowed 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 105.423 -2.065 . . . . 0.0 105.423 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 m -100.9 153.63 19.34 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 106.206 -1.776 . . . . 0.0 106.206 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -66.53 -45.77 78.35 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 126.258 1.823 . . . . 0.0 113.772 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.24 -33.34 58.21 Favored 'General case' 0 C--N 1.365 1.249 1 C-N-CA 133.758 4.823 . . . . 0.0 114.171 175.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -56.62 -32.61 65.47 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 130.454 3.501 . . . . 0.0 113.915 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.69 -38.81 92.51 Favored 'General case' 0 C--N 1.37 1.494 0 C-N-CA 126.123 1.769 . . . . 0.0 113.882 173.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -74.55 -36.11 63.11 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 126.48 1.912 . . . . 0.0 111.097 171.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -66.9 -47.66 71.11 Favored 'General case' 0 C--N 1.369 1.453 0 N-CA-C 114.538 1.311 . . . . 0.0 114.538 172.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.263 1.8 pt -66.85 -40.93 86.95 Favored 'Isoleucine or valine' 0 C--N 1.372 1.572 0 C-N-CA 125.539 1.535 . . . . 0.0 114.877 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.74 -36.84 78.89 Favored 'General case' 0 C--N 1.379 1.859 0 C-N-CA 124.767 1.227 . . . . 0.0 112.19 174.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.5 m -68.2 -43.82 77.23 Favored 'General case' 0 C--N 1.378 1.843 0 C-N-CA 126.431 1.892 . . . . 0.0 112.77 173.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -59.56 -46.42 88.96 Favored 'General case' 0 C--N 1.373 1.615 0 C-N-CA 128.203 2.601 . . . . 0.0 113.568 171.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.37 0.4 OUTLIER -65.47 -48.86 81.38 Favored 'Isoleucine or valine' 0 C--N 1.378 1.821 0 C-N-CA 125.137 1.375 . . . . 0.0 114.176 176.876 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.399 0.0 OUTLIER -71.93 -32.26 67.16 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-N 121.979 2.172 . . . . 0.0 114.664 174.499 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -63.95 -40.54 96.65 Favored 'General case' 0 C--N 1.385 2.147 0 C-N-CA 125.913 1.685 . . . . 0.0 111.899 174.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.56 -53.72 52.59 Favored 'General case' 0 C--N 1.375 1.693 0 C-N-CA 126.223 1.809 . . . . 0.0 111.593 168.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.4 mp -49.43 -26.04 3.0 Favored 'General case' 0 C--N 1.368 1.378 0 N-CA-C 118.163 2.653 . . . . 0.0 118.163 177.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.616 1.3 m -123.17 10.34 9.34 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 165.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.459 ' CD2' ' HB2' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -67.59 -58.11 5.28 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 128.421 2.688 . . . . 0.0 108.296 173.722 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.379 10.0 ptpt -108.48 134.22 20.32 Favored Pre-proline 0 C--N 1.371 1.52 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 176.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.92 137.0 28.61 Favored 'Trans proline' 0 C--N 1.366 1.452 0 C-N-CA 124.651 3.567 . . . . 0.0 112.408 -172.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.47 107.23 3.74 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 124.827 1.251 . . . . 0.0 113.83 -175.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 29.3 ttp -144.65 150.78 37.96 Favored 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 124.936 1.295 . . . . 0.0 109.007 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -142.5 107.35 4.89 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 105.97 -1.863 . . . . 0.0 105.97 170.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . 0.393 15.9 pt-20 60.41 -67.68 0.04 OUTLIER 'General case' 0 C--N 1.347 0.482 1 C-N-CA 134.604 5.162 . . . . 0.0 117.418 173.672 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.32 22.39 2.4 Favored Glycine 0 CA--C 1.493 -1.331 0 N-CA-C 107.302 -2.319 . . . . 0.0 107.302 176.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -122.57 125.27 45.36 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 123.59 0.756 . . . . 0.0 109.954 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.4 m -123.37 120.81 34.13 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -119.23 138.59 52.88 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 128.878 2.871 . . . . 0.0 106.905 -178.166 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.2 t -106.14 130.67 57.39 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 C-N-CA 128.071 2.548 . . . . 0.0 108.704 -171.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.19 138.23 35.84 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 -176.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.8 tttp . . . . . 0 N--CA 1.443 -0.792 0 C-N-CA 127.632 2.373 . . . . 0.0 107.827 176.672 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 28.4 t60 . . . . . 0 N--CA 1.447 -0.61 0 CA-C-O 121.637 0.732 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.38 148.13 18.82 Favored Glycine 0 C--N 1.357 1.742 0 C-N-CA 124.954 1.264 . . . . 0.0 109.966 173.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 17.0 tt -127.0 125.17 66.05 Favored 'Isoleucine or valine' 0 C--N 1.358 0.964 0 N-CA-C 105.272 -2.121 . . . . 0.0 105.272 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.0 mp -119.36 116.71 51.66 Favored 'Isoleucine or valine' 0 C--N 1.363 1.155 0 C-N-CA 125.542 1.537 . . . . 0.0 107.218 -177.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.54 128.18 54.71 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 124.966 1.306 . . . . 0.0 111.36 -177.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.35 136.32 51.2 Favored 'Isoleucine or valine' 0 C--N 1.359 1.01 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.86 139.59 50.06 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 126.736 2.014 . . . . 0.0 105.773 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -132.37 150.82 52.08 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 -175.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 86.8 m -137.73 143.98 41.47 Favored 'General case' 0 C--N 1.343 0.311 0 O-C-N 119.985 -1.697 . . . . 0.0 110.694 -174.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.0 tt . . . . . 0 C--N 1.365 1.247 0 C-N-CA 126.151 1.78 . . . . 0.0 107.699 176.316 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 CA--C 1.54 0.576 0 CA-C-O 122.63 1.205 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.38 -36.11 82.63 Favored 'General case' 0 C--N 1.37 1.478 0 C-N-CA 126.417 1.887 . . . . 0.0 114.165 174.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.4 m -59.14 -47.44 85.28 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 127.01 2.124 . . . . 0.0 113.897 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.711 4.2 tpt180 -73.27 -37.52 66.25 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 128.802 2.841 . . . . 0.0 116.363 172.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.53 -23.06 48.23 Favored 'General case' 0 C--N 1.369 1.449 0 O-C-N 117.702 -3.124 . . . . 0.0 114.314 166.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.408 HD22 HG12 ' A' ' 64' ' ' ILE 0.361 0.1 OUTLIER -64.72 -29.59 70.58 Favored 'General case' 0 C--N 1.372 1.575 0 O-C-N 120.022 -1.673 . . . . 0.0 114.513 161.696 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.367 8.5 pt20 -64.37 -37.9 89.15 Favored 'General case' 0 C--N 1.387 2.221 0 CA-C-N 122.961 2.619 . . . . 0.0 110.398 169.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.542 0.0 OUTLIER -65.27 -30.74 71.64 Favored 'General case' 0 C--N 1.384 2.098 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 167.458 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.42 -32.63 73.64 Favored 'General case' 0 C--N 1.367 1.345 0 C-N-CA 125.652 1.581 . . . . 0.0 115.172 166.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.251 18.1 p -69.37 -45.85 68.36 Favored 'General case' 0 C--N 1.382 1.979 0 C-N-CA 124.673 1.189 . . . . 0.0 110.39 172.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.589 35.8 m -62.64 -30.21 48.74 Favored 'Isoleucine or valine' 0 C--N 1.38 1.902 0 O-C-N 120.29 -1.506 . . . . 0.0 113.678 173.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -70.06 -39.42 75.69 Favored 'General case' 0 C--N 1.378 1.836 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 166.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . 0.498 14.9 p30 -70.17 -33.76 72.14 Favored 'General case' 0 C--N 1.363 1.179 0 O-C-N 118.923 -2.36 . . . . 0.0 114.071 171.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.33 -40.79 94.15 Favored 'General case' 0 C--N 1.373 1.625 0 C-N-CA 126.714 2.006 . . . . 0.0 112.799 169.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.52 -23.34 29.82 Favored 'General case' 0 C--N 1.377 1.783 0 O-C-N 121.197 -0.939 . . . . 0.0 113.382 177.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 t -80.36 -29.35 37.93 Favored 'General case' 0 C--N 1.372 1.544 0 O-C-N 119.576 -1.953 . . . . 0.0 110.123 177.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -75.53 104.32 6.03 Favored 'General case' 0 C--N 1.368 1.4 0 CA-C-O 123.061 1.41 . . . . 0.0 114.734 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -39.64 -55.56 3.42 Favored Pre-proline 0 C--N 1.363 1.182 1 C-N-CA 132.031 4.132 . . . . 0.0 118.691 -171.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -65.34 -19.58 61.77 Favored 'Trans proline' 0 C--N 1.361 1.205 0 C-N-CA 124.739 3.626 . . . . 0.0 115.36 173.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.1 mt -75.18 -26.97 59.45 Favored 'General case' 0 C--N 1.379 1.85 0 CA-C-N 123.31 2.777 . . . . 0.0 113.356 175.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 41.4 mtp -63.24 -29.25 70.62 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 128.459 2.704 . . . . 0.0 114.736 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -94.42 -13.91 25.77 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 128.265 2.626 . . . . 0.0 112.29 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 45.0 tpp -102.16 -42.19 6.14 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.252 1.821 . . . . 0.0 115.181 -176.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 p -120.83 144.81 28.56 Favored 'Isoleucine or valine' 0 C--N 1.361 1.075 0 CA-C-O 124.461 2.077 . . . . 0.0 107.458 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -101.35 -27.74 13.0 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 129.646 3.178 . . . . 0.0 112.761 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.55 86.5 mm-40 -119.11 39.77 3.47 Favored 'General case' 0 N--CA 1.44 -0.944 1 C-N-CA 133.796 4.838 . . . . 0.0 113.553 -161.025 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.8 p -87.64 108.59 18.52 Favored 'Isoleucine or valine' 0 C--N 1.37 1.463 0 CA-C-O 124.789 2.233 . . . . 0.0 107.013 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 t -142.12 157.32 45.03 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 112.312 -2.222 . . . . 0.0 109.705 -165.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -87.46 17.42 4.53 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 116.981 2.215 . . . . 0.0 116.981 -173.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.401 3.5 t 158.22 -67.9 0.0 OUTLIER Pre-proline 0 C--N 1.368 1.398 0 C-N-CA 129.463 3.105 . . . . 0.0 112.492 174.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -73.66 136.88 24.1 Favored 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 123.757 2.972 . . . . 0.0 114.896 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.7 55.02 0.15 Allowed Glycine 0 C--N 1.366 2.209 0 N-CA-C 104.866 -3.294 . . . . 0.0 104.866 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.68 ' H ' ' HD2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -84.77 -9.28 58.34 Favored 'General case' 0 C--O 1.225 -0.195 0 C-N-CA 130.152 3.381 . . . . 0.0 112.44 -178.689 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -99.81 15.36 27.2 Favored 'General case' 0 CA--C 1.542 0.643 1 C-N-CA 131.952 4.101 . . . . 0.0 109.85 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -45.34 96.82 0.12 Allowed Pre-proline 0 CA--C 1.548 0.901 2 N-CA-C 125.477 5.362 . . . . 0.0 125.477 178.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -83.15 116.77 2.44 Favored 'Trans proline' 0 CA--C 1.557 1.669 0 CA-C-N 125.245 2.909 . . . . 0.0 107.245 159.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -79.99 149.66 70.51 Favored Pre-proline 0 CA--C 1.563 1.452 0 CA-C-N 120.428 1.467 . . . . 0.0 114.793 -171.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -71.54 153.03 96.73 Favored 'Cis proline' 0 C--N 1.363 1.312 0 CA-C-N 122.499 1.928 . . . . 0.0 114.035 3.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . 0.279 1.5 p90 -154.63 167.1 31.28 Favored 'General case' 0 C--O 1.251 1.136 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.7 t -137.78 125.97 31.69 Favored 'Isoleucine or valine' 0 C--N 1.402 2.87 0 CA-C-O 123.044 1.402 . . . . 0.0 114.737 -174.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 m -117.68 143.81 27.27 Favored 'Isoleucine or valine' 0 C--N 1.364 1.217 0 O-C-N 120.458 -1.401 . . . . 0.0 110.511 170.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.0 mm -92.19 140.13 16.72 Favored 'Isoleucine or valine' 0 C--N 1.363 1.153 0 C-N-CA 126.529 1.932 . . . . 0.0 107.51 172.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.61 -150.82 7.97 Favored Glycine 0 C--N 1.352 1.459 0 O-C-N 120.875 -1.14 . . . . 0.0 111.626 -175.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -146.05 147.72 31.92 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 104.342 -2.466 . . . . 0.0 104.342 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 . . . . . 0 C--N 1.36 1.065 0 C-N-CA 124.293 1.037 . . . . 0.0 109.002 174.03 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.2 m120 . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 123.343 1.544 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.408 HG12 HD22 ' A' ' 10' ' ' LEU . 3.5 mp -139.85 124.03 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.821 0 N-CA-C 102.324 -3.213 . . . . 0.0 102.324 -177.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.5 m -127.29 123.59 36.77 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 103.144 -2.91 . . . . 0.0 103.144 171.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 33.3 ttm -138.43 155.63 48.3 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 125.841 1.657 . . . . 0.0 108.987 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -133.27 156.58 47.31 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 172.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -124.2 140.01 53.38 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.474 1.91 . . . . 0.0 106.561 175.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.42 ' CD2' ' N ' ' A' ' 69' ' ' HIS . 9.7 m-70 -119.01 118.33 31.19 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 103.374 -2.824 . . . . 0.0 103.374 174.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.7 m -121.29 121.24 64.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 N-CA-C 105.098 -2.186 . . . . 0.0 105.098 -174.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -116.09 124.15 49.67 Favored 'General case' 0 C--N 1.366 1.325 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -81.81 -85.89 0.73 Allowed Glycine 0 C--N 1.364 2.139 0 C-N-CA 124.117 0.865 . . . . 0.0 114.285 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 143.04 -45.3 0.91 Allowed Glycine 0 C--N 1.354 1.539 0 O-C-N 120.732 -1.451 . . . . 0.0 112.874 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.5 p -99.14 -98.21 0.23 Allowed 'General case' 0 C--N 1.352 0.687 0 C-N-CA 125.457 1.503 . . . . 0.0 114.589 -173.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 m -113.52 158.78 20.3 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 127.209 2.203 . . . . 0.0 108.476 -174.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -52.5 -35.5 53.08 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 129.057 2.943 . . . . 0.0 116.904 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.62 -35.56 72.65 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 127.753 2.421 . . . . 0.0 114.378 173.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -71.34 -36.8 71.67 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 126.152 1.781 . . . . 0.0 112.435 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.24 -39.19 78.64 Favored 'General case' 0 C--N 1.371 1.535 0 C-N-CA 128.606 2.763 . . . . 0.0 114.481 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -70.25 -40.71 74.26 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 126.789 2.035 . . . . 0.0 110.673 172.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.53 -49.16 78.86 Favored 'General case' 0 C--N 1.384 2.072 0 C-N-CA 128.555 2.742 . . . . 0.0 113.275 173.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.301 9.4 pt -59.95 -38.14 75.25 Favored 'Isoleucine or valine' 0 C--N 1.374 1.654 0 O-C-N 120.384 -1.447 . . . . 0.0 113.87 169.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.9 p -61.21 -42.39 98.52 Favored 'General case' 0 C--N 1.38 1.893 0 CA-C-N 120.259 1.39 . . . . 0.0 113.83 170.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.0 t -62.67 -49.38 75.34 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 129.596 3.158 . . . . 0.0 112.141 174.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -69.99 -35.96 74.81 Favored 'General case' 0 C--N 1.372 1.55 0 C-N-CA 125.2 1.4 . . . . 0.0 114.652 174.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.302 0.3 OUTLIER -69.34 -42.2 81.15 Favored 'Isoleucine or valine' 0 C--N 1.379 1.859 0 C-N-CA 126.463 1.905 . . . . 0.0 113.528 176.519 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.4 mp -71.83 -42.75 66.62 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 127.493 2.317 . . . . 0.0 112.276 173.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -62.46 -34.13 76.2 Favored 'General case' 0 C--N 1.375 1.687 0 C-N-CA 125.305 1.442 . . . . 0.0 112.645 173.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.37 -48.94 68.57 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 126.579 1.952 . . . . 0.0 112.03 170.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 tp -45.53 -45.57 13.48 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 129.146 2.978 . . . . 0.0 116.457 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.376 0.2 OUTLIER -106.96 9.61 30.65 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 125.002 1.321 . . . . 0.0 113.969 172.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -73.33 -52.4 14.03 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 119.418 -2.051 . . . . 0.0 107.089 176.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.315 2.1 ptpt -116.4 117.13 38.78 Favored Pre-proline 0 C--N 1.36 1.034 0 N-CA-C 103.419 -2.808 . . . . 0.0 103.419 173.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -68.52 151.13 75.62 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 124.466 3.444 . . . . 0.0 113.473 -167.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.33 106.46 2.49 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 125.292 1.437 . . . . 0.0 112.502 -175.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.411 ' HG3' ' HG1' ' A' ' 101' ' ' THR . 19.7 ttm -144.41 143.01 30.71 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 125.865 1.666 . . . . 0.0 110.332 -178.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -151.41 107.86 3.47 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 71.79 -88.21 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.673 0 C-N-CA 131.55 3.94 . . . . 0.0 115.619 168.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -122.0 24.0 7.18 Favored Glycine 0 C--N 1.353 1.481 0 N-CA-C 108.361 -1.896 . . . . 0.0 108.361 172.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -125.48 134.9 51.88 Favored 'General case' 0 C--N 1.361 1.094 0 O-C-N 121.849 -0.795 . . . . 0.0 111.515 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.411 ' HG1' ' HG3' ' A' ' 96' ' ' MET . 58.8 m -126.4 125.74 42.68 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 103.133 -2.914 . . . . 0.0 103.133 174.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -122.43 137.81 54.74 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 -176.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.6 t -105.91 132.85 51.92 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.764 0 C-N-CA 125.713 1.605 . . . . 0.0 107.349 -171.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.6 135.54 35.56 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 124.471 1.108 . . . . 0.0 111.133 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--N 1.352 0.702 0 O-C-N 120.788 -1.195 . . . . 0.0 112.927 -171.254 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -103.39 129.72 9.98 Favored Glycine 0 C--N 1.353 1.503 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -107.72 132.59 54.93 Favored 'Isoleucine or valine' 0 C--N 1.359 1.009 0 N-CA-C 105.688 -1.967 . . . . 0.0 105.688 178.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 28.4 mt -123.72 131.14 73.51 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 -177.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -116.69 126.07 52.64 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.64 136.07 59.07 Favored 'Isoleucine or valine' 0 C--N 1.365 1.252 0 CA-C-O 123.484 1.611 . . . . 0.0 112.306 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 91.3 mtm180 -115.98 132.88 56.52 Favored 'General case' 0 C--N 1.364 1.205 0 C-N-CA 126.797 2.039 . . . . 0.0 109.263 -177.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -135.68 153.42 51.62 Favored 'General case' 0 C--N 1.359 1.003 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 18.9 m -140.9 139.21 34.32 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 124.24 1.016 . . . . 0.0 109.88 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.368 1.399 0 O-C-N 119.526 -1.984 . . . . 0.0 108.973 176.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.401 ' CD2' ' H ' ' A' ' 5' ' ' LEU . 2.2 pt? . . . . . 0 N--CA 1.456 -0.127 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.71 -37.39 82.2 Favored 'General case' 0 C--N 1.37 1.485 0 C-N-CA 126.636 1.974 . . . . 0.0 113.276 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.3 m -61.86 -46.37 89.72 Favored 'General case' 0 C--N 1.372 1.554 0 C-N-CA 126.666 1.986 . . . . 0.0 112.366 175.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.551 49.7 tpt85 -71.62 -37.37 70.91 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.534 1.533 . . . . 0.0 114.361 172.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.47 -23.06 5.5 Favored 'General case' 0 C--N 1.373 1.598 0 O-C-N 119.529 -1.982 . . . . 0.0 115.901 165.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.501 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -61.12 -37.08 81.52 Favored 'General case' 0 C--N 1.38 1.906 0 O-C-N 120.032 -1.667 . . . . 0.0 114.884 163.707 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.56 HE21 HG21 ' A' ' 64' ' ' ILE 0.306 60.1 mt-30 -67.04 -36.86 83.02 Favored 'General case' 0 C--N 1.374 1.656 0 C-N-CA 127.08 2.152 . . . . 0.0 109.231 176.776 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -61.86 -33.29 73.91 Favored 'General case' 0 C--N 1.369 1.438 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 162.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.92 -36.22 69.89 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 126.777 2.031 . . . . 0.0 113.851 173.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.486 9.7 t -70.35 -32.72 70.54 Favored 'General case' 0 C--N 1.382 2.002 0 O-C-N 120.731 -1.23 . . . . 0.0 110.839 166.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.5 t -69.48 -32.49 53.17 Favored 'Isoleucine or valine' 0 C--N 1.371 1.527 0 O-C-N 118.344 -2.723 . . . . 0.0 114.002 168.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -70.81 -30.24 66.63 Favored 'General case' 0 C--N 1.365 1.266 0 O-C-N 119.894 -1.754 . . . . 0.0 115.548 172.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -69.82 -42.83 73.13 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 127.293 2.237 . . . . 0.0 112.126 170.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -31.22 71.92 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 126.329 1.852 . . . . 0.0 114.082 172.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.12 -22.6 33.31 Favored 'General case' 0 C--N 1.371 1.52 0 O-C-N 121.041 -1.037 . . . . 0.0 112.207 170.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.3 m -79.34 -31.6 43.08 Favored 'General case' 0 C--N 1.383 2.057 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.437 ' HB2' ' CD2' ' A' ' 92' ' ' TYR . 12.0 t80 -82.66 93.56 7.38 Favored 'General case' 0 C--N 1.366 1.323 0 CA-C-O 124.138 1.923 . . . . 0.0 114.45 178.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.357 2.6 pt20 -49.57 -37.8 26.3 Favored Pre-proline 0 C--N 1.36 1.056 0 C-N-CA 130.883 3.673 . . . . 0.0 119.052 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -60.84 -19.6 62.6 Favored 'Trans proline' 0 CA--C 1.547 1.133 0 C-N-CA 124.804 3.669 . . . . 0.0 115.454 168.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.7 -46.37 89.28 Favored 'General case' 0 C--N 1.387 2.239 0 CA-C-N 121.955 2.161 . . . . 0.0 113.102 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . 0.304 12.8 ptm -56.07 -27.43 53.47 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 128.611 2.764 . . . . 0.0 115.885 174.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -85.59 -22.17 28.15 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 125.999 1.72 . . . . 0.0 112.567 174.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.86 -40.62 8.43 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 126.735 2.014 . . . . 0.0 113.632 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.414 HG21 ' HA ' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -123.27 146.4 28.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 N-CA-C 102.141 -3.281 . . . . 0.0 102.141 176.849 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.303 8.0 t-20 -99.33 -21.88 15.83 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 127.023 2.129 . . . . 0.0 113.434 -175.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.496 6.2 mp0 -136.5 41.54 2.56 Favored 'General case' 0 CA--C 1.483 -1.598 1 C-N-CA 132.554 4.342 . . . . 0.0 112.101 -156.937 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.3 p -85.79 108.97 17.93 Favored 'Isoleucine or valine' 0 C--N 1.37 1.497 0 CA-C-O 125.48 2.562 . . . . 0.0 106.101 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.8 t -146.75 167.14 24.58 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 111.649 -2.523 . . . . 0.0 110.588 -166.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -105.84 63.0 0.67 Allowed 'General case' 0 C--N 1.353 0.727 0 O-C-N 120.508 -1.37 . . . . 0.0 110.404 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.485 56.9 m 111.99 -73.25 0.0 OUTLIER Pre-proline 0 C--N 1.361 1.069 0 C-N-CA 128.726 2.81 . . . . 0.0 116.007 178.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -72.89 137.51 27.01 Favored 'Trans proline' 0 C--N 1.363 1.306 0 CA-C-N 127.479 3.707 . . . . 0.0 112.382 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 145.4 -19.56 1.88 Allowed Glycine 0 C--N 1.364 2.137 0 CA-C-O 122.612 1.118 . . . . 0.0 110.384 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 43' ' ' TYR 0.257 0.0 OUTLIER -64.09 -14.23 53.19 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 119.559 3.17 . . . . 0.0 119.559 -178.601 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -93.33 16.65 12.8 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 128.505 2.722 . . . . 0.0 112.674 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -119.5 175.5 2.19 Favored Pre-proline 0 C--N 1.354 0.772 0 C-N-CA 127.254 2.222 . . . . 0.0 109.935 -175.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -70.09 154.2 66.67 Favored 'Trans proline' 0 C--N 1.371 1.726 0 C-N-CA 124.976 3.784 . . . . 0.0 115.626 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -93.57 146.13 31.23 Favored Pre-proline 0 C--N 1.352 0.702 0 C-N-CA 130.199 3.4 . . . . 0.0 110.276 -174.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -79.44 150.84 85.14 Favored 'Cis proline' 0 C--N 1.35 0.635 0 N-CA-C 116.733 1.782 . . . . 0.0 116.733 6.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.414 ' HA ' HG21 ' A' ' 28' ' ' VAL . 16.3 p90 -155.1 167.04 31.69 Favored 'General case' 0 C--N 1.37 1.467 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 175.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.8 t -137.41 130.03 42.65 Favored 'Isoleucine or valine' 0 C--N 1.388 2.251 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 -174.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.2 m -114.09 134.67 56.22 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 O-C-N 120.16 -1.588 . . . . 0.0 107.048 170.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.9 mt -104.91 128.31 58.75 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -176.28 -134.77 2.01 Favored Glycine 0 C--N 1.351 1.404 0 O-C-N 120.392 -1.442 . . . . 0.0 112.049 -170.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -140.39 148.48 41.31 Favored 'General case' 0 C--N 1.365 1.265 0 CA-C-O 122.356 1.074 . . . . 0.0 111.063 -176.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 . . . . . 0 C--N 1.355 0.847 0 C-N-CA 127.764 2.426 . . . . 0.0 109.146 179.037 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 . . . . . 0 CA--C 1.533 0.304 0 N-CA-C 116.482 2.03 . . . . 0.0 116.482 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.56 HG21 HE21 ' A' ' 11' ' ' GLN . 2.6 mp -121.42 127.27 75.66 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 1 C-N-CA 132.417 4.287 . . . . 0.0 101.494 176.271 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.2 m -127.06 132.05 50.78 Favored 'General case' 0 C--N 1.361 1.093 0 O-C-N 121.004 -1.06 . . . . 0.0 110.441 -177.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.14 157.26 46.26 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 126.102 1.761 . . . . 0.0 108.831 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -140.24 158.42 44.06 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 125.128 1.371 . . . . 0.0 109.302 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -130.94 130.71 43.8 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 125.263 1.425 . . . . 0.0 107.728 176.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -119.33 119.26 33.48 Favored 'General case' 0 C--N 1.36 1.058 0 N-CA-C 105.971 -1.862 . . . . 0.0 105.971 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.2 m -124.78 135.53 63.67 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 -172.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -132.22 123.07 26.27 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 173.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -126.09 47.62 1.01 Allowed Glycine 0 C--N 1.369 2.414 0 C-N-CA 123.322 0.487 . . . . 0.0 112.88 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.75 57.29 0.35 Allowed Glycine 0 C--N 1.355 1.61 0 C-N-CA 128.963 3.173 . . . . 0.0 118.383 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.1 p -121.18 -70.81 0.76 Allowed 'General case' 0 C--N 1.352 0.717 0 C-N-CA 126.109 1.764 . . . . 0.0 109.419 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.7 m -131.59 144.6 51.19 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 103.353 -2.832 . . . . 0.0 103.353 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -52.17 -36.48 51.84 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 128.551 2.741 . . . . 0.0 115.782 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.97 -35.1 72.61 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 131.241 3.817 . . . . 0.0 113.671 174.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.19 -33.61 72.47 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 125.961 1.705 . . . . 0.0 113.901 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.92 -34.77 75.93 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 127.188 2.195 . . . . 0.0 114.246 174.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -77.22 -43.0 35.21 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 128.601 2.76 . . . . 0.0 110.691 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.9 -49.08 66.73 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 128.913 2.885 . . . . 0.0 113.633 174.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.4 pt -65.24 -38.45 82.66 Favored 'Isoleucine or valine' 0 C--N 1.382 1.982 0 CA-C-N 120.279 1.399 . . . . 0.0 113.282 174.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 62.4 m -60.91 -48.19 82.94 Favored 'General case' 0 C--N 1.385 2.149 0 C-N-CA 126.652 1.981 . . . . 0.0 111.518 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.5 m -60.24 -47.46 85.87 Favored 'General case' 0 C--N 1.37 1.471 0 C-N-CA 127.453 2.301 . . . . 0.0 113.976 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -67.08 -37.96 84.89 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 126.372 1.869 . . . . 0.0 115.861 176.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.315 9.6 p -70.35 -43.32 78.44 Favored 'Isoleucine or valine' 0 C--N 1.38 1.927 0 O-C-N 120.165 -1.585 . . . . 0.0 112.881 173.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.72 -40.45 95.1 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 128.498 2.719 . . . . 0.0 112.31 172.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -65.58 -39.51 91.72 Favored 'General case' 0 C--N 1.373 1.627 0 C-N-CA 126.561 1.944 . . . . 0.0 113.076 171.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.55 -53.72 50.53 Favored 'General case' 0 C--N 1.373 1.63 0 CA-C-N 120.587 1.539 . . . . 0.0 112.855 169.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.2 mt -55.17 -26.07 36.52 Favored 'General case' 0 C--N 1.369 1.438 0 N-CA-C 117.721 2.489 . . . . 0.0 117.721 177.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.673 1.8 m -114.17 10.25 17.29 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 165.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.437 ' CD2' ' HB2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -74.26 -52.88 11.02 Favored 'General case' 0 C--N 1.36 1.063 0 O-C-N 119.204 -2.185 . . . . 0.0 108.765 170.742 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -119.5 129.77 25.2 Favored Pre-proline 0 C--N 1.359 1.001 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 175.337 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -79.92 129.66 8.13 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 123.979 3.119 . . . . 0.0 111.702 -176.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.36 107.98 4.58 Favored 'General case' 0 C--N 1.368 1.372 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 -177.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 33.5 ttp -143.14 162.14 36.35 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 102.432 -3.173 . . . . 0.0 102.432 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -141.48 107.8 5.26 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 124.549 1.14 . . . . 0.0 108.896 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 69.03 -76.04 0.06 Allowed 'General case' 0 C--N 1.348 0.525 1 C-N-CA 133.425 4.69 . . . . 0.0 115.229 172.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -146.62 22.65 1.67 Allowed Glycine 0 CA--C 1.492 -1.357 0 N-CA-C 106.388 -2.685 . . . . 0.0 106.388 174.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -121.37 124.55 44.8 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.7 m -115.0 142.45 46.62 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 122.319 1.057 . . . . 0.0 111.209 -173.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -144.35 136.9 26.72 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 104.419 -2.438 . . . . 0.0 104.419 -179.424 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 76.8 t -106.89 135.32 45.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 C-N-CA 127.548 2.339 . . . . 0.0 109.549 -171.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.55 129.5 34.7 Favored 'General case' 0 C--N 1.368 1.381 0 C-N-CA 125.62 1.568 . . . . 0.0 110.682 177.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm . . . . . 0 C--N 1.357 0.928 0 C-N-CA 124.22 1.008 . . . . 0.0 110.255 -176.492 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -124.8 150.26 17.11 Favored Glycine 0 C--N 1.353 1.517 0 C-N-CA 123.603 0.621 . . . . 0.0 112.599 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -118.02 124.54 73.24 Favored 'Isoleucine or valine' 0 C--N 1.365 1.281 0 N-CA-C 101.903 -3.369 . . . . 0.0 101.903 171.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.3 mt -119.67 130.28 74.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -110.86 140.15 45.56 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 124.839 1.256 . . . . 0.0 107.854 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.7 p -140.06 135.27 37.34 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 CA-C-N 122.343 2.338 . . . . 0.0 110.601 175.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.32 139.11 53.98 Favored 'General case' 0 C--N 1.358 0.978 0 O-C-N 120.184 -1.572 . . . . 0.0 110.925 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -122.74 134.5 54.45 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 126.766 2.026 . . . . 0.0 105.706 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 3.6 m -123.55 143.36 50.24 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.941 0.896 . . . . 0.0 110.032 -173.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 C--N 1.37 1.474 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 179.495 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.8 mt . . . . . 0 N--CA 1.471 0.575 0 CA-C-O 122.75 1.262 . . . . 0.0 113.071 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.58 -33.27 66.02 Favored 'General case' 0 C--N 1.362 1.136 1 C-N-CA 133.076 4.551 . . . . 0.0 113.306 172.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.3 p -56.05 -47.26 78.23 Favored 'General case' 0 C--N 1.372 1.582 0 C-N-CA 127.112 2.165 . . . . 0.0 113.675 173.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.473 6.2 tpp180 -71.81 -36.8 70.38 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 131.081 3.753 . . . . 0.0 112.935 175.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.45 -23.14 36.72 Favored 'General case' 0 CA--C 1.561 1.398 0 O-C-N 119.476 -2.015 . . . . 0.0 114.583 165.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.433 ' HB3' ' CZ ' ' A' ' 102' ' ' PHE 0.286 0.1 OUTLIER -64.96 -29.25 70.17 Favored 'General case' 0 C--N 1.375 1.675 0 O-C-N 119.307 -2.121 . . . . 0.0 115.174 162.368 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.37 -37.83 83.78 Favored 'General case' 0 C--N 1.377 1.801 0 C-N-CA 127.022 2.129 . . . . 0.0 109.645 174.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -63.4 -34.04 76.86 Favored 'General case' 0 C--N 1.375 1.677 0 C-N-CA 125.603 1.561 . . . . 0.0 112.064 166.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.85 -34.9 78.83 Favored 'General case' 0 C--N 1.367 1.368 0 O-C-N 118.87 -2.394 . . . . 0.0 113.414 169.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.263 19.2 p -65.52 -38.56 90.04 Favored 'General case' 0 C--N 1.381 1.974 0 C-N-CA 124.593 1.157 . . . . 0.0 111.711 169.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -34.89 70.78 Favored 'Isoleucine or valine' 0 C--N 1.37 1.468 0 O-C-N 120.534 -1.354 . . . . 0.0 114.266 172.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.85 -35.58 72.49 Favored 'General case' 0 C--N 1.368 1.384 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 171.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . 0.534 23.1 p30 -70.28 -34.52 72.86 Favored 'General case' 0 C--N 1.365 1.277 0 O-C-N 119.844 -1.785 . . . . 0.0 112.634 170.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 mt -65.8 -31.31 72.2 Favored 'General case' 0 C--N 1.37 1.49 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 170.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -85.02 -30.16 24.38 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 125.271 1.428 . . . . 0.0 112.994 172.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.2 m -81.52 -21.28 38.69 Favored 'General case' 0 C--N 1.378 1.838 0 C-N-CA 125.343 1.457 . . . . 0.0 112.566 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -87.77 94.05 9.63 Favored 'General case' 0 C--N 1.36 1.049 0 CA-C-O 122.794 1.283 . . . . 0.0 110.806 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.326 3.4 pt20 -52.73 -38.1 54.34 Favored Pre-proline 0 C--N 1.359 1.018 0 N-CA-C 119.075 2.991 . . . . 0.0 119.075 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -63.66 -19.36 67.24 Favored 'Trans proline' 0 C--N 1.363 1.337 0 C-N-CA 124.969 3.779 . . . . 0.0 114.264 167.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.77 -15.74 59.66 Favored 'General case' 0 C--N 1.371 1.5 0 CA-C-N 121.14 1.791 . . . . 0.0 114.064 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 73.9 mtp -67.08 -28.52 68.25 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 129.07 2.948 . . . . 0.0 113.34 176.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -89.72 -15.58 32.22 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 128.278 2.631 . . . . 0.0 112.142 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -101.19 -41.23 6.81 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 128.037 2.535 . . . . 0.0 114.166 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 p -122.87 146.89 27.45 Favored 'Isoleucine or valine' 0 C--N 1.365 1.25 0 O-C-N 120.308 -1.495 . . . . 0.0 108.167 -177.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -101.5 -39.72 7.39 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-O 124.602 2.144 . . . . 0.0 113.5 177.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.431 ' HG3' ' HB3' ' A' ' 39' ' ' ASP 0.825 68.1 mm-40 -116.24 40.87 2.74 Favored 'General case' 0 CA--C 1.5 -0.979 1 C-N-CA 135.134 5.373 . . . . 0.0 118.257 -166.767 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -84.87 108.95 17.39 Favored 'Isoleucine or valine' 0 C--N 1.369 1.435 0 CA-C-O 124.574 2.131 . . . . 0.0 109.543 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.7 t -146.52 169.57 18.67 Favored 'General case' 0 C--N 1.365 1.272 0 CA-C-O 124.309 2.004 . . . . 0.0 113.82 -173.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -78.54 50.73 0.99 Allowed 'General case' 0 C--N 1.355 0.844 0 N-CA-C 117.72 2.489 . . . . 0.0 117.72 -176.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.653 60.6 p 113.72 -57.78 0.0 OUTLIER Pre-proline 0 N--CA 1.476 0.871 0 CA-C-O 113.505 -3.14 . . . . 0.0 119.32 173.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -73.7 163.93 36.05 Favored 'Trans proline' 0 CA--C 1.555 1.541 1 CA-C-N 128.761 4.165 . . . . 0.0 115.946 176.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.11 15.34 0.6 Allowed Glycine 0 C--N 1.366 2.219 0 N-CA-C 115.916 1.126 . . . . 0.0 115.916 171.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -28.57 46.69 Favored 'General case' 0 C--N 1.364 1.207 0 N-CA-C 118.18 2.659 . . . . 0.0 118.18 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -96.45 9.76 40.33 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 128.485 2.714 . . . . 0.0 112.733 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.431 ' HB3' ' HG3' ' A' ' 30' ' ' GLN . 80.6 m-20 -90.41 165.77 22.11 Favored Pre-proline 0 C--N 1.36 1.037 0 C-N-CA 124.793 1.237 . . . . 0.0 110.854 177.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -69.43 148.75 67.9 Favored 'Trans proline' 0 C--N 1.365 1.439 0 C-N-CA 124.413 3.409 . . . . 0.0 114.577 -177.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -95.54 132.88 26.65 Favored Pre-proline 0 C--N 1.356 0.867 0 C-N-CA 126.782 2.033 . . . . 0.0 108.189 -177.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -82.95 150.36 69.29 Favored 'Cis proline' 0 CA--C 1.552 1.419 0 CA-C-N 122.79 2.032 . . . . 0.0 116.333 2.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -159.65 166.72 30.04 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 124.937 1.295 . . . . 0.0 113.758 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.3 t -137.27 133.79 46.95 Favored 'Isoleucine or valine' 0 C--N 1.393 2.489 0 CA-C-O 123.854 1.788 . . . . 0.0 112.04 -175.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.2 m -122.47 132.33 71.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 119.951 -1.718 . . . . 0.0 109.309 171.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.4 mt -99.16 124.93 52.73 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 C-N-CA 126.652 1.981 . . . . 0.0 105.752 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.59 -126.66 0.83 Allowed Glycine 0 C--N 1.351 1.365 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -145.13 155.64 43.43 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 123.619 0.768 . . . . 0.0 110.259 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.361 1.107 0 C-N-CA 126.568 1.947 . . . . 0.0 110.326 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.5 m120 . . . . . 0 N--CA 1.445 -0.676 0 N-CA-C 103.014 -2.958 . . . . 0.0 103.014 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.74 121.15 62.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 1 N-CA-C 99.935 -4.098 . . . . 0.0 99.935 -177.48 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 p -131.47 117.65 19.1 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 104.229 -2.508 . . . . 0.0 104.229 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.8 tpt -144.48 160.97 40.21 Favored 'General case' 0 C--N 1.36 1.046 0 CA-C-O 121.842 0.83 . . . . 0.0 109.799 -175.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -132.18 152.9 51.05 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 124.581 1.153 . . . . 0.0 109.311 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.311 2.4 p90 -128.79 139.23 52.28 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.91 1.284 . . . . 0.0 107.749 171.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -121.55 127.54 51.06 Favored 'General case' 0 CA--C 1.491 -1.321 0 C-N-CA 128.009 2.524 . . . . 0.0 106.575 -175.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.2 t -121.98 128.49 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 CA-C-N 113.916 -1.493 . . . . 0.0 107.834 -175.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -128.22 138.08 52.3 Favored 'General case' 0 C--N 1.369 1.418 0 C-N-CA 118.27 -1.372 . . . . 0.0 109.252 171.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -150.89 179.12 27.86 Favored Glycine 0 C--N 1.366 2.245 0 CA-C-O 122.324 0.958 . . . . 0.0 111.692 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -153.88 108.43 0.37 Allowed Glycine 0 C--N 1.354 1.549 0 N-CA-C 105.156 -3.178 . . . . 0.0 105.156 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.0 m -166.64 -85.88 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 103.214 -2.884 . . . . 0.0 103.214 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.6 p -144.55 170.12 16.66 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 125.999 1.72 . . . . 0.0 107.746 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -67.07 -35.33 79.59 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 127.786 2.434 . . . . 0.0 114.141 171.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.65 -35.89 73.1 Favored 'General case' 0 C--N 1.371 1.525 0 C-N-CA 127.724 2.41 . . . . 0.0 113.496 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -60.48 -36.91 79.43 Favored 'General case' 0 C--N 1.373 1.612 0 C-N-CA 126.716 2.006 . . . . 0.0 114.215 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.18 -33.58 73.68 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 126.111 1.764 . . . . 0.0 114.374 173.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -77.24 -39.49 48.21 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 127.548 2.339 . . . . 0.0 110.693 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -66.64 -45.21 79.75 Favored 'General case' 0 C--N 1.372 1.565 0 C-N-CA 127.005 2.122 . . . . 0.0 113.97 174.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.267 11.9 pt -66.39 -37.75 80.33 Favored 'Isoleucine or valine' 0 C--N 1.374 1.647 0 C-N-CA 126.176 1.79 . . . . 0.0 111.662 174.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.7 t -65.15 -42.33 93.86 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 126.882 2.073 . . . . 0.0 112.58 172.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.0 t -58.71 -41.39 86.2 Favored 'General case' 0 C--N 1.373 1.614 0 C-N-CA 129.07 2.948 . . . . 0.0 112.296 173.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -75.34 -38.83 59.96 Favored 'General case' 0 C--N 1.369 1.454 0 C-N-CA 126.143 1.777 . . . . 0.0 113.763 171.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.9 t -63.84 -49.5 81.63 Favored 'Isoleucine or valine' 0 C--N 1.381 1.965 0 CA-C-N 122.015 2.189 . . . . 0.0 112.327 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.2 mp -71.8 -32.05 67.21 Favored 'General case' 0 C--N 1.37 1.485 0 O-C-N 119.405 -2.059 . . . . 0.0 111.922 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -61.7 -34.27 75.49 Favored 'General case' 0 C--N 1.387 2.218 0 C-N-CA 124.938 1.295 . . . . 0.0 112.603 169.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.42 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -65.97 -50.39 64.47 Favored 'General case' 0 C--N 1.374 1.643 0 C-N-CA 125.772 1.629 . . . . 0.0 110.837 170.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.252 8.0 mp -50.88 -38.93 52.47 Favored 'General case' 0 C--N 1.377 1.787 0 N-CA-C 116.874 2.176 . . . . 0.0 116.874 178.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.306 0.2 OUTLIER -103.05 9.61 38.47 Favored 'General case' 0 C--N 1.368 1.403 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 169.711 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.42 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -77.84 -48.58 16.13 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 119.046 -2.284 . . . . 0.0 106.336 178.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.377 0.5 OUTLIER -119.4 104.61 45.3 Favored Pre-proline 0 C--N 1.353 0.728 0 N-CA-C 105.032 -2.211 . . . . 0.0 105.032 172.296 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -57.34 154.18 36.45 Favored 'Trans proline' 0 C--N 1.386 2.519 1 C-N-CA 125.831 4.354 . . . . 0.0 117.501 -169.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.4 mt -82.43 106.64 14.47 Favored 'General case' 0 C--N 1.363 1.188 0 CA-C-O 125.598 2.618 . . . . 0.0 116.844 -168.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 25.1 ttt -144.58 149.1 35.23 Favored 'General case' 0 N--CA 1.426 -1.629 0 CA-C-N 111.342 -2.663 . . . . 0.0 107.558 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -134.02 109.92 9.3 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 104.176 -2.527 . . . . 0.0 104.176 170.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 64.42 -71.83 0.07 Allowed 'General case' 0 N--CA 1.442 -0.835 1 C-N-CA 132.936 4.494 . . . . 0.0 118.098 165.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -141.47 19.63 2.61 Favored Glycine 0 CA--C 1.492 -1.371 0 N-CA-C 106.888 -2.485 . . . . 0.0 106.888 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -123.24 124.88 44.0 Favored 'General case' 0 C--N 1.367 1.331 0 CA-C-N 117.718 0.759 . . . . 0.0 109.125 -177.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.0 m -121.64 123.45 41.94 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 -177.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -127.06 136.26 51.93 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 128.548 2.739 . . . . 0.0 105.36 -174.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.7 t -106.4 132.92 52.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 C-N-CA 127.345 2.258 . . . . 0.0 110.22 -171.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.93 138.86 36.12 Favored 'General case' 0 C--N 1.362 1.144 0 N-CA-C 117.055 2.243 . . . . 0.0 117.055 -174.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.6 tttm . . . . . 0 C--N 1.354 0.774 0 C-N-CA 129.113 2.965 . . . . 0.0 108.078 177.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 . . . . . 0 N--CA 1.435 -1.218 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.67 139.67 11.14 Favored Glycine 0 C--N 1.348 1.22 0 N-CA-C 107.244 -2.342 . . . . 0.0 107.244 170.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.07 128.02 75.93 Favored 'Isoleucine or valine' 0 C--N 1.362 1.114 0 N-CA-C 104.326 -2.472 . . . . 0.0 104.326 175.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 51.6 mt -121.39 128.1 75.84 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 125.616 1.566 . . . . 0.0 106.8 -177.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -110.06 139.59 45.02 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 124.182 0.993 . . . . 0.0 109.457 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.92 143.74 18.5 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 CA-C-O 123.6 1.667 . . . . 0.0 110.736 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -124.3 140.52 52.88 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 125.811 1.644 . . . . 0.0 107.415 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.08 148.05 49.73 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 104.552 -2.388 . . . . 0.0 104.552 178.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 81.3 m -135.97 143.15 44.69 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 119.723 -1.861 . . . . 0.0 109.585 -174.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.364 1.236 0 C-N-CA 126.689 1.995 . . . . 0.0 106.757 175.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.3 mt . . . . . 0 N--CA 1.472 0.65 0 N-CA-C 116.882 2.179 . . . . 0.0 116.882 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.76 -32.93 73.22 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 127.024 2.13 . . . . 0.0 113.673 174.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.1 p -61.0 -48.03 83.7 Favored 'General case' 0 C--N 1.375 1.678 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.512 38.4 tpt85 -71.98 -36.23 69.74 Favored 'General case' 0 C--O 1.245 0.85 0 C-N-CA 131.053 3.741 . . . . 0.0 113.726 174.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.409 ' HA ' ' HG3' ' A' ' 12' ' ' LYS . . . -53.43 -27.0 22.26 Favored 'General case' 0 CA--C 1.559 1.311 0 O-C-N 119.943 -1.723 . . . . 0.0 115.171 165.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 102' ' ' PHE 0.273 0.2 OUTLIER -62.77 -29.6 70.83 Favored 'General case' 0 C--N 1.382 1.987 0 O-C-N 119.683 -1.886 . . . . 0.0 115.578 165.122 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.272 49.0 mt-30 -69.79 -37.76 76.44 Favored 'General case' 0 C--N 1.371 1.527 0 C-N-CA 126.183 1.793 . . . . 0.0 110.834 173.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.433 ' HZ2' ' HB2' ' A' ' 12' ' ' LYS 0.424 0.0 OUTLIER -67.1 -30.59 70.65 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 165.984 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.33 -33.82 69.98 Favored 'General case' 0 C--N 1.366 1.304 0 O-C-N 119.414 -2.054 . . . . 0.0 113.708 171.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.5 m -70.12 -29.66 66.66 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 129.876 3.27 . . . . 0.0 110.507 171.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.86 -37.9 63.24 Favored 'Isoleucine or valine' 0 C--N 1.365 1.256 0 O-C-N 119.445 -2.034 . . . . 0.0 112.664 168.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -68.57 -29.66 68.25 Favored 'General case' 0 C--N 1.371 1.517 0 O-C-N 120.255 -1.528 . . . . 0.0 114.372 170.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -62.57 -49.81 73.82 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 127.712 2.405 . . . . 0.0 110.645 168.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -31.57 66.18 Favored 'General case' 0 C--N 1.38 1.918 0 C-N-CA 125.847 1.659 . . . . 0.0 112.125 173.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -66.08 -44.08 85.48 Favored 'General case' 0 C--N 1.371 1.524 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 167.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.528 ' HB2' ' CE2' ' A' ' 92' ' ' TYR 0.388 0.7 OUTLIER -76.78 -16.98 59.31 Favored 'General case' 0 C--N 1.391 2.383 0 CA-C-N 123.439 2.836 . . . . 0.0 114.583 176.506 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.417 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 2.1 t80 -81.66 92.17 6.54 Favored 'General case' 0 C--N 1.367 1.358 0 CA-C-O 125.007 2.337 . . . . 0.0 116.347 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.337 10.9 pt20 -54.45 -43.4 97.78 Favored Pre-proline 0 C--N 1.36 1.061 0 C-N-CA 130.93 3.692 . . . . 0.0 116.247 175.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -62.73 -19.04 67.23 Favored 'Trans proline' 0 C--N 1.364 1.383 1 C-N-CA 125.328 4.019 . . . . 0.0 114.737 170.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tp -73.35 -29.04 62.39 Favored 'General case' 0 C--N 1.379 1.861 0 CA-C-N 121.852 2.115 . . . . 0.0 114.027 -178.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 58.8 mtt -60.03 -28.95 68.18 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 130.714 3.606 . . . . 0.0 114.118 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -94.07 -18.57 21.68 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 128.106 2.563 . . . . 0.0 112.889 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.8 mmt -102.79 -34.59 8.95 Favored 'General case' 0 C--N 1.361 1.103 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 p -123.25 146.67 28.24 Favored 'Isoleucine or valine' 0 C--N 1.364 1.227 0 O-C-N 120.062 -1.649 . . . . 0.0 107.666 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -101.05 -44.46 5.71 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 123.615 1.674 . . . . 0.0 112.442 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.627 4.2 mp0 -109.02 40.79 1.74 Allowed 'General case' 0 CA--C 1.499 -0.995 1 C-N-CA 134.761 5.224 . . . . 0.0 115.456 -171.843 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.7 p -84.47 108.33 16.52 Favored 'Isoleucine or valine' 0 C--N 1.369 1.439 0 CA-C-N 124.331 3.242 . . . . 0.0 108.142 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.3 t -146.76 169.19 19.58 Favored 'General case' 0 C--N 1.361 1.077 0 CA-C-N 112.662 -2.063 . . . . 0.0 112.089 -168.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -95.87 9.61 39.99 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 -176.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.33 11.6 m -169.07 -70.0 0.0 OUTLIER Pre-proline 0 C--N 1.361 1.088 0 CA-C-O 115.37 -2.252 . . . . 0.0 113.789 175.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -72.94 164.2 36.24 Favored 'Trans proline' 0 C--N 1.362 1.25 0 C-N-CA 124.709 3.606 . . . . 0.0 115.473 -173.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 156.33 -25.73 0.53 Allowed Glycine 0 C--N 1.364 2.125 0 O-C-N 120.698 -1.251 . . . . 0.0 115.807 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.39 -31.39 6.11 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 119.31 3.078 . . . . 0.0 119.31 -174.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -106.28 15.38 26.24 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 127.674 2.39 . . . . 0.0 111.841 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -106.49 168.3 8.33 Favored Pre-proline 0 C--N 1.359 0.983 0 O-C-N 119.731 -1.855 . . . . 0.0 111.575 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -64.21 152.59 80.58 Favored 'Trans proline' 0 C--N 1.375 1.953 1 C-N-CA 125.56 4.173 . . . . 0.0 116.343 177.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -104.26 139.98 20.63 Favored Pre-proline 0 C--N 1.355 0.821 0 C-N-CA 127.261 2.224 . . . . 0.0 107.172 -177.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -80.51 149.0 77.69 Favored 'Cis proline' 0 CA--C 1.546 1.104 0 CA-C-N 123.883 2.422 . . . . 0.0 116.566 3.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -160.8 167.7 26.23 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 114.754 1.391 . . . . 0.0 114.754 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.6 t -136.64 135.31 48.9 Favored 'Isoleucine or valine' 0 C--N 1.401 2.811 0 CA-C-O 122.981 1.372 . . . . 0.0 114.632 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.5 m -113.62 143.02 24.19 Favored 'Isoleucine or valine' 0 C--N 1.364 1.196 0 O-C-N 120.068 -1.645 . . . . 0.0 109.034 165.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 21.8 mm -95.71 127.62 47.6 Favored 'Isoleucine or valine' 0 C--N 1.365 1.244 0 C-N-CA 127.914 2.486 . . . . 0.0 107.952 173.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -165.47 -133.99 1.59 Allowed Glycine 0 C--N 1.358 1.784 0 CA-C-N 118.948 0.795 . . . . 0.0 113.621 -177.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -145.0 152.76 40.65 Favored 'General case' 0 C--N 1.368 1.381 0 C-N-CA 126.054 1.742 . . . . 0.0 109.962 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? . . . . . 0 C--N 1.365 1.245 0 C-N-CA 126.363 1.865 . . . . 0.0 113.109 178.157 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 . . . . . 0 N--CA 1.438 -1.072 0 CA-C-O 123.277 1.513 . . . . 0.0 107.942 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -134.83 132.39 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 C-N-CA 129.997 3.319 . . . . 0.0 103.048 -178.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.4 t -131.43 119.72 22.03 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 100.897 -3.742 . . . . 0.0 100.897 172.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 20.9 ttt -134.67 133.18 39.78 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 126.289 1.836 . . . . 0.0 109.839 -173.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.12 146.51 45.89 Favored 'General case' 0 C--N 1.367 1.344 0 CA-C-O 123.252 1.501 . . . . 0.0 108.884 172.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -118.04 130.33 56.1 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 102.837 -3.023 . . . . 0.0 102.837 171.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -118.57 119.52 34.74 Favored 'General case' 0 C--N 1.368 1.399 0 N-CA-C 106.09 -1.819 . . . . 0.0 106.09 175.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.9 t -118.79 134.8 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.879 0 CA-C-N 113.563 -1.653 . . . . 0.0 108.425 -169.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -133.09 118.95 19.35 Favored 'General case' 0 C--N 1.366 1.301 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 171.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.79 74.91 0.41 Allowed Glycine 0 C--N 1.364 2.135 0 C-N-CA 126.742 2.115 . . . . 0.0 108.861 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -98.09 72.4 0.62 Allowed Glycine 0 C--N 1.354 1.572 0 C-N-CA 127.313 2.387 . . . . 0.0 111.216 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.4 p -135.84 -88.53 0.32 Allowed 'General case' 0 C--N 1.349 0.563 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.2 m -110.64 141.38 43.94 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 104.607 -2.368 . . . . 0.0 104.607 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -52.29 -39.85 61.03 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 127.984 2.513 . . . . 0.0 115.451 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.76 -35.59 81.08 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 129.347 3.059 . . . . 0.0 114.621 175.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -62.74 -33.75 75.79 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 127.106 2.163 . . . . 0.0 113.72 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.07 93.44 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 128.068 2.547 . . . . 0.0 115.103 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -77.32 -30.86 54.26 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.13 1.372 . . . . 0.0 111.984 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -66.38 -43.2 86.53 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 126.45 1.9 . . . . 0.0 112.67 173.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.7 pt -68.18 -38.31 79.46 Favored 'Isoleucine or valine' 0 C--N 1.375 1.678 0 CA-C-N 119.809 1.186 . . . . 0.0 113.73 173.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 t -63.67 -49.5 72.96 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 127.768 2.427 . . . . 0.0 112.212 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.6 m -64.44 -39.93 94.77 Favored 'General case' 0 C--N 1.37 1.462 0 C-N-CA 127.995 2.518 . . . . 0.0 113.118 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -43.33 86.41 Favored 'General case' 0 C--N 1.377 1.767 0 C-N-CA 126.193 1.797 . . . . 0.0 114.108 173.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.333 3.1 p -67.94 -38.45 80.02 Favored 'Isoleucine or valine' 0 C--N 1.374 1.65 0 CA-C-N 121.541 1.973 . . . . 0.0 113.384 176.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.52 -41.24 89.11 Favored 'General case' 0 CA--C 1.572 1.795 0 C-N-CA 127.743 2.417 . . . . 0.0 113.362 171.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -66.18 -33.43 75.76 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 127.394 2.278 . . . . 0.0 113.183 171.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.75 -51.46 67.03 Favored 'General case' 0 C--N 1.369 1.428 0 C-N-CA 126.913 2.085 . . . . 0.0 112.099 171.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp -45.46 -37.71 5.47 Favored 'General case' 0 C--N 1.378 1.834 0 C-N-CA 131.276 3.83 . . . . 0.0 113.897 172.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.391 0.2 OUTLIER -107.36 9.56 29.84 Favored 'General case' 0 C--N 1.365 1.246 0 N-CA-C 116.998 2.222 . . . . 0.0 116.998 167.132 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE2' ' HB2' ' A' ' 20' ' ' SER 0.361 2.2 p90 -75.97 -46.96 26.95 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 117.661 -3.149 . . . . 0.0 105.936 177.722 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.288 11.6 ptpt -113.16 140.87 24.78 Favored Pre-proline 0 C--N 1.362 1.147 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 169.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -76.38 153.21 35.22 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.7 2.933 . . . . 0.0 110.52 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.4 mt -74.44 108.45 7.22 Favored 'General case' 0 C--N 1.36 1.046 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 24.7 ttt -144.41 141.78 29.89 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 125.897 1.679 . . . . 0.0 110.756 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -137.55 107.69 6.39 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.273 2.229 . . . . 0.0 105.92 175.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . 0.385 11.7 pt-20 61.5 -65.68 0.07 Allowed 'General case' 0 C--N 1.348 0.541 1 C-N-CA 134.847 5.259 . . . . 0.0 118.279 172.323 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -143.6 16.93 2.23 Favored Glycine 0 CA--C 1.491 -1.425 0 N-CA-C 106.822 -2.511 . . . . 0.0 106.822 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -121.28 124.66 45.15 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.2 m -117.09 128.81 55.51 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 104.629 -2.36 . . . . 0.0 104.629 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -111.62 132.42 54.58 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-O 122.494 1.14 . . . . 0.0 113.089 -171.055 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.7 t -107.22 128.85 61.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 C-N-CA 128.094 2.558 . . . . 0.0 110.849 -172.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.09 123.07 28.09 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 125.684 1.594 . . . . 0.0 113.532 -177.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.1 tptp . . . . . 0 C--N 1.352 0.709 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 -175.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 33.4 t60 . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 120.969 0.414 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -129.31 132.96 7.33 Favored Glycine 0 C--N 1.356 1.679 0 N-CA-C 107.843 -2.103 . . . . 0.0 107.843 172.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -121.01 129.62 75.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 88.8 mt -118.94 114.24 44.11 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 N-CA-C 103.741 -2.689 . . . . 0.0 103.741 172.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -119.58 119.93 35.23 Favored 'General case' 0 C--N 1.363 1.183 0 N-CA-C 105.121 -2.178 . . . . 0.0 105.121 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.27 146.8 27.35 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 CA-C-O 122.589 1.185 . . . . 0.0 110.248 -176.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -116.63 139.25 50.73 Favored 'General case' 0 C--N 1.361 1.103 0 C-N-CA 127.054 2.142 . . . . 0.0 107.067 177.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -124.6 140.36 53.01 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 103.332 -2.84 . . . . 0.0 103.332 175.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 9.1 m -124.23 143.2 50.66 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 105.177 -2.157 . . . . 0.0 105.177 -177.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 15.1 pt . . . . . 0 C--N 1.363 1.174 0 O-C-N 119.899 -1.751 . . . . 0.0 111.274 176.479 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.4 mt . . . . . 0 CA--C 1.516 -0.361 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.9 -34.3 67.78 Favored 'General case' 0 C--N 1.364 1.237 0 C-N-CA 129.273 3.029 . . . . 0.0 114.232 174.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.425 ' HA ' ' CE2' ' A' ' 102' ' ' PHE . 3.1 m -61.67 -46.69 88.66 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 127.843 2.457 . . . . 0.0 113.805 176.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.368 51.1 ttm-85 -73.47 -37.52 65.74 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 128.836 2.854 . . . . 0.0 114.541 167.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.07 -23.01 4.66 Favored 'General case' 0 CA--C 1.569 1.695 0 O-C-N 117.735 -3.103 . . . . 0.0 115.022 169.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -34.3 65.24 Favored 'General case' 0 C--N 1.374 1.654 0 N-CA-C 117.071 2.249 . . . . 0.0 117.071 161.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.423 1.2 pp0? -70.14 -37.57 75.31 Favored 'General case' 0 C--N 1.381 1.97 0 C-N-CA 128.323 2.649 . . . . 0.0 110.013 172.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -66.57 -30.92 71.33 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 166.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.89 -32.5 67.49 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 127.626 2.371 . . . . 0.0 111.897 172.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.6 m -69.78 -45.52 67.82 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 128.917 2.887 . . . . 0.0 110.677 172.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.26 -31.19 52.79 Favored 'Isoleucine or valine' 0 C--N 1.366 1.325 0 C-N-CA 125.898 1.679 . . . . 0.0 113.051 171.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -70.49 -37.14 74.18 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 124.893 1.277 . . . . 0.0 112.763 171.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.432 ' HB3' ' HG2' ' A' ' 93' ' ' LYS 0.353 23.6 p30 -63.87 -35.09 79.49 Favored 'General case' 0 C--N 1.377 1.796 0 CA-C-N 121.395 1.907 . . . . 0.0 114.222 168.174 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.57 -42.76 97.31 Favored 'General case' 0 C--N 1.377 1.799 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 168.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -82.13 -21.88 36.45 Favored 'General case' 0 C--N 1.364 1.227 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 174.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.9 m -81.91 -25.45 34.95 Favored 'General case' 0 C--N 1.376 1.744 0 C-N-CA 125.903 1.681 . . . . 0.0 113.246 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.414 ' HB2' ' CD1' ' A' ' 92' ' ' TYR . 15.6 t80 -81.17 96.52 7.24 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 120.582 -1.324 . . . . 0.0 111.043 178.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.422 4.8 pt20 -40.87 -47.47 7.15 Favored Pre-proline 0 C--N 1.367 1.364 1 N-CA-C 121.964 4.061 . . . . 0.0 121.964 -173.989 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -65.78 -20.0 58.96 Favored 'Trans proline' 0 C--N 1.362 1.271 0 CA-C-N 127.886 3.852 . . . . 0.0 115.085 169.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tt -69.04 -41.84 77.14 Favored 'General case' 0 C--N 1.374 1.663 0 CA-C-N 121.564 1.984 . . . . 0.0 112.241 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 57.3 mmm -59.82 -27.73 66.86 Favored 'General case' 0 C--N 1.362 1.145 1 C-N-CA 132.125 4.17 . . . . 0.0 114.814 171.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -84.54 -39.19 19.1 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 128.01 2.524 . . . . 0.0 112.071 176.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 24.2 mmt -78.46 -41.09 33.67 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 125.89 1.676 . . . . 0.0 113.828 177.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.2 m -124.36 143.27 38.34 Favored 'Isoleucine or valine' 0 C--N 1.369 1.436 0 N-CA-C 101.968 -3.345 . . . . 0.0 101.968 167.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -102.25 -17.3 15.99 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 125.969 2.795 . . . . 0.0 110.748 176.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.397 48.4 mm-40 -98.37 39.36 1.25 Allowed 'General case' 0 N--CA 1.422 -1.861 1 C-N-CA 137.598 6.359 . . . . 0.0 115.198 -167.663 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.94 108.5 18.08 Favored 'Isoleucine or valine' 0 C--N 1.377 1.765 0 N-CA-C 104.745 -2.317 . . . . 0.0 104.745 175.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.7 t -131.55 145.39 51.7 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 113.977 -1.465 . . . . 0.0 113.636 -172.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -94.46 -7.44 41.38 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 124.967 1.307 . . . . 0.0 114.016 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.292 15.5 m -166.89 -74.14 0.0 OUTLIER Pre-proline 0 C--N 1.356 0.866 0 CA-C-O 115.308 -2.282 . . . . 0.0 111.019 177.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -72.92 137.4 26.73 Favored 'Trans proline' 0 C--N 1.367 1.545 0 C-N-CA 124.052 3.168 . . . . 0.0 113.051 -177.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.89 32.2 2.71 Favored Glycine 0 C--N 1.352 1.447 0 O-C-N 120.159 -1.588 . . . . 0.0 112.14 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.406 ' HA ' HG13 ' A' ' 45' ' ' VAL 0.422 0.0 OUTLIER -85.35 -16.94 38.26 Favored 'General case' 0 C--N 1.361 1.098 0 O-C-N 120.077 -1.837 . . . . 0.0 113.903 175.686 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -105.16 15.79 26.89 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 128.487 2.715 . . . . 0.0 114.105 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.68 154.57 58.9 Favored Pre-proline 0 C--N 1.367 1.332 0 C-N-CA 126.036 1.735 . . . . 0.0 110.366 176.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -75.81 152.79 37.46 Favored 'Trans proline' 0 CA--C 1.546 1.124 0 C-N-CA 124.201 3.267 . . . . 0.0 115.992 -171.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -71.49 138.78 83.67 Favored Pre-proline 0 C--N 1.364 1.22 0 C-N-CA 130.352 3.461 . . . . 0.0 115.709 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.1 148.09 84.38 Favored 'Cis proline' 0 CA--C 1.543 0.927 0 CA-C-N 122.134 1.798 . . . . 0.0 115.218 2.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -167.63 167.55 13.33 Favored 'General case' 0 CA--C 1.561 1.382 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 177.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.2 t -132.07 121.89 47.59 Favored 'Isoleucine or valine' 0 C--N 1.393 2.469 0 CA-C-O 123.517 1.627 . . . . 0.0 113.743 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.406 HG13 ' HA ' ' A' ' 37' ' ' LYS . 19.0 m -113.0 145.56 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 120.303 -1.498 . . . . 0.0 109.649 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.4 mp -95.24 137.02 24.51 Favored 'Isoleucine or valine' 0 C--N 1.368 1.398 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 173.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -154.2 -149.93 5.36 Favored Glycine 0 C--N 1.351 1.4 0 N-CA-C 105.935 -2.866 . . . . 0.0 105.935 175.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -146.53 160.79 41.68 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.865 -1.373 . . . . 0.0 108.763 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 . . . . . 0 C--N 1.367 1.33 0 C-N-CA 127.628 2.371 . . . . 0.0 105.47 178.273 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.1 t30 . . . . . 0 CA--C 1.542 0.647 0 CA-C-O 122.914 1.34 . . . . 0.0 112.638 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -108.7 132.8 55.68 Favored 'Isoleucine or valine' 0 C--N 1.365 1.251 0 C-N-CA 130.198 3.399 . . . . 0.0 102.264 172.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 93.2 m -132.46 128.38 37.33 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 119.239 -2.163 . . . . 0.0 109.267 174.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -154.53 161.11 41.81 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 124.45 1.1 . . . . 0.0 109.374 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.65 163.47 28.86 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-O 123.26 1.505 . . . . 0.0 109.931 174.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -129.18 138.1 51.54 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 101.801 -3.407 . . . . 0.0 101.801 166.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -112.27 118.56 35.61 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 100.298 -3.964 . . . . 0.0 100.298 -178.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.4 t -121.31 111.13 30.08 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 N-CA-C 103.806 -2.664 . . . . 0.0 103.806 -165.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . 0.28 0.0 OUTLIER -130.87 138.18 49.7 Favored 'General case' 0 C--N 1.373 1.598 0 C-N-CA 115.566 -2.454 . . . . 0.0 112.484 -176.27 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.05 76.79 0.37 Allowed Glycine 0 C--N 1.371 2.495 0 C-N-CA 123.507 0.575 . . . . 0.0 112.664 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.97 95.56 2.01 Favored Glycine 0 C--N 1.362 1.978 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.0 m -177.98 -54.52 0.01 OUTLIER 'General case' 0 C--N 1.351 0.648 0 N-CA-C 103.934 -2.617 . . . . 0.0 103.934 -175.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.1 m -163.43 154.95 17.07 Favored 'General case' 0 C--N 1.361 1.082 0 N-CA-C 104.459 -2.423 . . . . 0.0 104.459 173.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -53.99 -35.11 61.5 Favored 'General case' 0 C--N 1.373 1.608 0 C-N-CA 129.289 3.036 . . . . 0.0 116.356 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.74 -35.97 64.3 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 129.028 2.931 . . . . 0.0 114.424 174.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -70.06 -39.27 75.77 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 124.555 1.142 . . . . 0.0 111.812 174.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.49 -42.51 74.68 Favored 'General case' 0 C--N 1.367 1.354 0 N-CA-C 116.627 2.084 . . . . 0.0 116.627 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -67.61 -39.65 84.72 Favored 'General case' 0 C--N 1.373 1.608 0 C-N-CA 126.643 1.977 . . . . 0.0 110.757 175.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -67.6 -51.94 44.4 Favored 'General case' 0 C--N 1.377 1.786 0 C-N-CA 124.567 1.147 . . . . 0.0 114.002 172.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.279 9.9 pt -60.5 -38.06 76.88 Favored 'Isoleucine or valine' 0 C--N 1.384 2.092 0 C-N-CA 125.967 1.707 . . . . 0.0 114.25 177.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.9 m -63.58 -40.75 97.76 Favored 'General case' 0 C--N 1.371 1.509 0 C-N-CA 125.562 1.545 . . . . 0.0 112.581 174.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 91.3 p -68.6 -42.26 78.42 Favored 'General case' 0 C--N 1.379 1.849 0 C-N-CA 127.741 2.416 . . . . 0.0 112.989 175.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -66.59 -35.17 79.55 Favored 'General case' 0 C--N 1.376 1.76 0 C-N-CA 125.479 1.512 . . . . 0.0 112.86 174.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.9 t -69.26 -50.21 54.36 Favored 'Isoleucine or valine' 0 C--N 1.379 1.86 0 C-N-CA 126.733 2.013 . . . . 0.0 113.317 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.509 0.0 OUTLIER -69.04 -35.73 76.92 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-N 123.838 3.017 . . . . 0.0 114.88 176.61 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -57.57 -47.96 80.66 Favored 'General case' 0 C--N 1.381 1.976 0 C-N-CA 126.929 2.091 . . . . 0.0 112.728 171.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.66 -50.23 74.62 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 129.0 2.92 . . . . 0.0 114.239 170.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.2 -41.51 18.3 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 129.925 3.29 . . . . 0.0 114.278 177.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.629 0.2 OUTLIER -108.51 10.54 27.22 Favored 'General case' 0 C--N 1.373 1.6 0 N-CA-C 116.828 2.159 . . . . 0.0 116.828 165.617 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.414 ' CD1' ' HB2' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -76.28 -43.51 41.33 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 118.108 -2.87 . . . . 0.0 109.871 177.623 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.432 ' HG2' ' HB3' ' A' ' 17' ' ' ASN . 3.6 tttp -122.62 94.08 47.9 Favored Pre-proline 0 C--N 1.35 0.61 0 N-CA-C 104.046 -2.575 . . . . 0.0 104.046 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -63.23 148.96 92.6 Favored 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 124.791 3.661 . . . . 0.0 115.845 -170.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.98 106.54 6.53 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 123.737 1.732 . . . . 0.0 115.274 -172.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 52.5 ttm -144.19 131.79 21.14 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 128.381 2.672 . . . . 0.0 107.807 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -135.41 120.42 18.7 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 104.363 -2.458 . . . . 0.0 104.363 173.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . 0.382 10.8 pt-20 66.67 25.86 9.76 Favored 'General case' 0 C--N 1.356 0.876 1 C-N-CA 132.742 4.417 . . . . 0.0 115.633 176.396 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.24 -1.83 70.49 Favored Glycine 0 C--N 1.357 1.728 0 C-N-CA 126.769 2.128 . . . . 0.0 112.689 -175.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -102.71 125.33 49.41 Favored 'General case' 0 C--N 1.359 0.981 0 O-C-N 121.497 -1.002 . . . . 0.0 109.51 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.77 142.87 29.76 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 127.469 2.308 . . . . 0.0 113.445 -175.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 7' ' ' SER 0.321 0.0 OUTLIER -128.69 144.09 51.08 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 124.524 1.13 . . . . 0.0 108.503 -179.609 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.9 t -106.39 121.48 59.0 Favored 'Isoleucine or valine' 0 C--N 1.349 0.56 0 C-N-CA 126.22 1.808 . . . . 0.0 108.258 -169.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.23 137.58 33.41 Favored 'General case' 0 C--N 1.368 1.394 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt . . . . . 0 C--N 1.366 1.313 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 -177.634 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 . . . . . 0 N--CA 1.444 -0.751 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.57 144.22 15.82 Favored Glycine 0 C--N 1.351 1.403 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 11.6 tt -115.27 116.1 51.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 103.921 -2.622 . . . . 0.0 103.921 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 31.7 mt -106.1 115.73 48.38 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 -177.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -102.82 131.38 49.73 Favored 'General case' 0 C--N 1.363 1.185 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 175.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . 0.252 14.0 t -118.72 132.31 68.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 172.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -116.05 123.66 48.49 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 102.895 -3.002 . . . . 0.0 102.895 176.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.71 133.45 52.12 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 126.119 1.767 . . . . 0.0 106.745 -172.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 89.7 m -131.35 143.16 50.29 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.853 -1.154 . . . . 0.0 109.744 -171.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.364 1.212 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 176.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mm? . . . . . 0 C--O 1.224 -0.247 0 N-CA-C 113.529 0.936 . . . . 0.0 113.529 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.18 -43.2 78.67 Favored 'General case' 0 C--N 1.363 1.184 0 C-N-CA 125.644 1.577 . . . . 0.0 114.656 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.0 m -61.15 -47.82 84.46 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 125.754 1.622 . . . . 0.0 114.031 177.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.552 49.1 tpt85 -72.15 -37.04 69.49 Favored 'General case' 0 C--O 1.243 0.722 0 C-N-CA 129.022 2.929 . . . . 0.0 114.147 175.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.85 -23.38 18.15 Favored 'General case' 0 CA--C 1.565 1.529 0 O-C-N 118.974 -2.329 . . . . 0.0 115.543 165.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 102' ' ' PHE 0.257 0.3 OUTLIER -60.15 -31.1 69.78 Favored 'General case' 0 C--N 1.383 2.04 0 O-C-N 119.755 -1.841 . . . . 0.0 114.808 161.782 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.262 48.7 mt-30 -69.39 -36.9 77.22 Favored 'General case' 0 C--N 1.378 1.814 0 C-N-CA 126.282 1.833 . . . . 0.0 109.949 173.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -62.41 -40.79 97.66 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 165.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.45 74.83 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 126.762 2.025 . . . . 0.0 112.419 173.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.8 m -69.59 -40.85 76.45 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 129.35 3.06 . . . . 0.0 109.816 174.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.7 -31.24 50.25 Favored 'Isoleucine or valine' 0 C--N 1.377 1.8 0 O-C-N 119.729 -1.857 . . . . 0.0 111.708 166.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -68.1 -36.93 80.57 Favored 'General case' 0 C--N 1.367 1.364 0 N-CA-C 116.293 1.96 . . . . 0.0 116.293 169.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.441 ' HB3' ' CG ' ' A' ' 93' ' ' LYS 0.273 0.5 OUTLIER -65.79 -35.49 80.85 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-N 120.407 1.458 . . . . 0.0 113.485 163.565 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.1 mt -65.59 -36.19 83.03 Favored 'General case' 0 C--N 1.366 1.314 0 CA-C-N 120.515 1.507 . . . . 0.0 115.011 174.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -83.2 -26.17 31.09 Favored 'General case' 0 C--N 1.373 1.621 0 C-N-CA 123.277 0.631 . . . . 0.0 112.14 173.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 m -83.31 -20.69 33.92 Favored 'General case' 0 C--N 1.382 1.992 0 O-C-N 120.604 -1.31 . . . . 0.0 113.128 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -91.38 94.05 9.32 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-O 123.266 1.508 . . . . 0.0 111.065 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.35 3.5 pt20 -53.65 -37.95 57.07 Favored Pre-proline 0 C--N 1.359 0.987 0 N-CA-C 119.246 3.054 . . . . 0.0 119.246 178.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -63.76 -19.03 66.46 Favored 'Trans proline' 0 C--N 1.362 1.283 0 C-N-CA 125.179 3.919 . . . . 0.0 114.107 167.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.92 -19.86 58.46 Favored 'General case' 0 C--N 1.376 1.736 0 CA-C-N 121.474 1.943 . . . . 0.0 113.819 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 59.6 mtt -66.81 -28.96 68.79 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 129.674 3.19 . . . . 0.0 114.059 177.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -94.41 -12.85 27.03 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 128.147 2.579 . . . . 0.0 111.782 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 25.8 mmt -102.62 -35.37 8.73 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 127.782 2.433 . . . . 0.0 114.677 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 p -123.52 145.36 30.64 Favored 'Isoleucine or valine' 0 C--N 1.363 1.18 0 O-C-N 120.263 -1.523 . . . . 0.0 109.701 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -102.17 -43.34 5.76 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 125.518 2.58 . . . . 0.0 113.267 177.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.719 0.0 OUTLIER -114.69 41.08 2.43 Favored 'General case' 0 CA--C 1.49 -1.336 1 C-N-CA 133.903 4.881 . . . . 0.0 117.126 -166.596 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.6 p -85.15 111.91 21.35 Favored 'Isoleucine or valine' 0 C--N 1.358 0.972 0 O-C-N 120.371 -1.456 . . . . 0.0 110.037 -176.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 t -145.84 162.15 38.36 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-O 123.6 1.667 . . . . 0.0 115.058 -173.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -110.87 47.89 0.96 Allowed 'General case' 0 C--N 1.363 1.181 0 C-N-CA 127.36 2.264 . . . . 0.0 107.789 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.5 p -152.38 168.09 11.99 Favored Pre-proline 0 C--N 1.352 0.7 0 C-N-CA 126.926 2.091 . . . . 0.0 107.527 -175.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -70.51 141.38 42.05 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 124.42 3.413 . . . . 0.0 112.784 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.23 51.71 0.02 OUTLIER Glycine 0 C--N 1.357 1.735 0 N-CA-C 106.452 -2.659 . . . . 0.0 106.452 -172.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.29 -13.65 51.93 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 126.824 2.049 . . . . 0.0 111.962 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -106.43 15.76 25.57 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 130.51 3.524 . . . . 0.0 111.737 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -90.23 166.97 18.01 Favored Pre-proline 0 C--N 1.364 1.211 0 CA-C-O 116.724 -1.607 . . . . 0.0 112.052 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -65.26 139.23 59.24 Favored 'Trans proline' 0 C--N 1.364 1.386 0 C-N-CA 124.802 3.668 . . . . 0.0 118.617 -168.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -81.3 127.06 75.08 Favored Pre-proline 0 C--N 1.356 0.877 0 C-N-CA 129.151 2.98 . . . . 0.0 114.464 -176.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -81.26 149.63 75.68 Favored 'Cis proline' 0 CA--C 1.554 1.507 0 CA-C-N 123.75 2.375 . . . . 0.0 115.021 0.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -165.35 166.69 18.44 Favored 'General case' 0 C--N 1.372 1.559 0 C-N-CA 125.02 1.328 . . . . 0.0 112.899 -174.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.4 t -138.53 138.54 42.51 Favored 'Isoleucine or valine' 0 C--N 1.389 2.297 0 CA-C-O 122.934 1.35 . . . . 0.0 113.152 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 m -117.41 143.66 27.29 Favored 'Isoleucine or valine' 0 C--N 1.359 1.002 0 O-C-N 120.779 -1.2 . . . . 0.0 107.79 163.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.9 mt -110.38 136.42 46.44 Favored 'Isoleucine or valine' 0 C--N 1.36 1.032 0 C-N-CA 127.149 2.179 . . . . 0.0 106.742 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.66 -118.27 0.77 Allowed Glycine 0 CA--C 1.495 -1.158 0 O-C-N 120.59 -1.319 . . . . 0.0 111.758 177.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -142.34 148.46 37.99 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 127.835 2.454 . . . . 0.0 105.214 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.36 1.031 0 C-N-CA 128.132 2.573 . . . . 0.0 117.553 -171.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.8 m120 . . . . . 0 CA--C 1.538 0.488 0 CA-C-O 123.053 1.406 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 mp -137.4 135.04 46.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 N-CA-C 100.548 -3.871 . . . . 0.0 100.548 176.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 t -131.97 129.2 39.87 Favored 'General case' 0 C--N 1.359 1.022 0 N-CA-C 104.914 -2.254 . . . . 0.0 104.914 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 41.9 mtp -127.32 128.18 45.52 Favored 'General case' 0 CA--C 1.501 -0.936 0 C-N-CA 126.434 1.894 . . . . 0.0 108.982 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.53 144.85 44.68 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 166.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -127.26 136.52 52.11 Favored 'General case' 0 C--O 1.244 0.767 0 N-CA-C 104.066 -2.568 . . . . 0.0 104.066 174.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -119.28 117.89 29.79 Favored 'General case' 0 C--N 1.359 0.994 0 N-CA-C 102.343 -3.206 . . . . 0.0 102.343 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.2 m -127.68 126.4 66.96 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 -168.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.435 ' HE1' ' CE1' ' A' ' 122' ' ' HIS . 4.6 m-90 -124.61 137.19 54.4 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 117.954 -1.499 . . . . 0.0 107.461 177.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.4 171.45 21.9 Favored Glycine 0 C--N 1.356 1.684 0 N-CA-C 107.539 -2.224 . . . . 0.0 107.539 172.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -144.67 149.24 21.32 Favored Glycine 0 C--N 1.349 1.294 0 N-CA-C 107.48 -2.248 . . . . 0.0 107.48 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.255 88.7 m 138.76 -58.74 0.0 OUTLIER 'General case' 0 C--N 1.364 1.21 0 C-N-CA 130.417 3.487 . . . . 0.0 108.585 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.9 m -160.42 155.98 25.36 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -56.63 -35.32 68.19 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 128.848 2.859 . . . . 0.0 116.761 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.28 80.1 Favored 'General case' 0 C--N 1.364 1.199 0 C-N-CA 129.745 3.218 . . . . 0.0 114.222 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -61.5 -33.48 73.87 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 128.452 2.701 . . . . 0.0 113.502 176.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.27 -34.15 77.67 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 127.36 2.264 . . . . 0.0 113.236 173.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -77.81 -34.92 51.86 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 126.879 2.071 . . . . 0.0 111.68 174.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.7 -43.85 83.26 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 126.797 2.039 . . . . 0.0 113.335 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.0 pt -67.27 -37.56 79.32 Favored 'Isoleucine or valine' 0 C--N 1.374 1.641 0 C-N-CA 126.003 1.721 . . . . 0.0 112.348 174.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 t -68.4 -39.29 81.7 Favored 'General case' 0 C--N 1.372 1.548 0 C-N-CA 126.7 2.0 . . . . 0.0 112.519 173.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.9 t -59.3 -37.69 78.37 Favored 'General case' 0 C--N 1.374 1.669 0 C-N-CA 128.258 2.623 . . . . 0.0 112.228 168.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -44.1 73.02 Favored 'General case' 0 C--N 1.373 1.6 0 C-N-CA 126.985 2.114 . . . . 0.0 114.011 170.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.349 1.7 p -67.99 -41.03 84.23 Favored 'Isoleucine or valine' 0 C--N 1.381 1.955 0 CA-C-N 121.861 2.119 . . . . 0.0 112.976 176.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.28 -44.47 96.45 Favored 'General case' 0 C--N 1.372 1.572 0 C-N-CA 130.522 3.529 . . . . 0.0 112.242 172.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -61.58 -41.0 96.78 Favored 'General case' 0 C--N 1.377 1.773 0 C-N-CA 126.021 1.728 . . . . 0.0 113.679 170.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.83 -51.24 70.85 Favored 'General case' 0 C--N 1.376 1.72 0 CA-C-N 120.497 1.499 . . . . 0.0 112.744 168.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.9 mt -53.15 -40.23 64.13 Favored 'General case' 0 C--N 1.383 2.034 0 N-CA-C 116.916 2.191 . . . . 0.0 116.916 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.365 0.2 OUTLIER -100.03 9.18 43.29 Favored 'General case' 0 C--N 1.369 1.454 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 170.539 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -49.71 13.63 Favored 'General case' 0 C--N 1.363 1.169 0 O-C-N 119.114 -2.241 . . . . 0.0 107.07 178.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.441 ' CG ' ' HB3' ' A' ' 17' ' ' ASN 0.286 12.9 ptpt -117.99 113.93 37.43 Favored Pre-proline 0 C--N 1.357 0.908 0 N-CA-C 103.579 -2.749 . . . . 0.0 103.579 169.625 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -62.04 149.82 88.9 Favored 'Trans proline' 0 C--N 1.37 1.689 0 C-N-CA 124.544 3.496 . . . . 0.0 114.921 -172.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.6 mt -73.81 107.66 6.18 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -171.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 47.2 ttm -144.49 141.44 29.55 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 126.253 1.821 . . . . 0.0 111.268 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -137.33 110.61 7.87 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 66.1 12.63 8.63 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 130.535 3.534 . . . . 0.0 115.769 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.43 -2.11 34.66 Favored Glycine 0 C--N 1.348 1.215 0 C-N-CA 125.776 1.655 . . . . 0.0 111.119 -170.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -93.34 123.57 36.72 Favored 'General case' 0 C--N 1.37 1.5 0 CA-C-N 120.149 1.975 . . . . 0.0 109.127 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.23 137.86 40.8 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 127.323 2.249 . . . . 0.0 112.788 -175.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -132.68 117.1 17.46 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 126.999 2.119 . . . . 0.0 107.687 -179.276 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.1 t -109.85 146.25 15.44 Favored 'Isoleucine or valine' 0 C--N 1.362 1.116 0 C-N-CA 125.806 1.642 . . . . 0.0 108.885 -174.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.01 124.22 28.99 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 126.264 1.825 . . . . 0.0 115.126 -171.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 62.0 tttp . . . . . 0 C--N 1.358 0.957 0 C-N-CA 125.746 1.618 . . . . 0.0 107.906 179.468 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.435 ' CE1' ' HE1' ' A' ' 71' ' ' TRP . 11.8 t-160 . . . . . 0 N--CA 1.444 -0.743 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -114.34 134.97 12.07 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 107.118 -2.393 . . . . 0.0 107.118 166.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -123.64 127.31 73.92 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.744 0 N-CA-C 103.166 -2.902 . . . . 0.0 103.166 176.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.4 tp -133.95 124.91 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 N-CA-C 103.899 -2.63 . . . . 0.0 103.899 -177.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -132.63 134.11 44.47 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 -175.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.2 p -144.14 140.51 24.78 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 CA-C-O 122.576 1.179 . . . . 0.0 109.61 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 53.2 ttm-85 -118.77 140.02 50.62 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 126.437 1.895 . . . . 0.0 107.976 175.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -124.63 152.92 43.01 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 125.323 1.449 . . . . 0.0 109.333 -178.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.8 m -109.73 140.38 43.68 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 125.518 1.527 . . . . 0.0 109.375 176.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 9.3 tt . . . . . 0 C--N 1.354 0.774 0 N-CA-C 103.079 -2.934 . . . . 0.0 103.079 172.004 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.7 mt . . . . . 0 N--CA 1.444 -0.748 0 N-CA-C 111.277 0.103 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.2 80.37 Favored 'General case' 0 C--N 1.378 1.834 0 C-N-CA 126.22 1.808 . . . . 0.0 114.505 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.6 m -64.92 -47.34 78.08 Favored 'General case' 0 C--N 1.365 1.242 0 CA-C-O 124.578 2.133 . . . . 0.0 112.943 176.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.49 56.2 ttp180 -73.85 -38.75 64.38 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 128.666 2.786 . . . . 0.0 115.291 174.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -23.48 65.22 Favored 'General case' 0 C--N 1.365 1.278 0 O-C-N 118.026 -2.921 . . . . 0.0 114.077 168.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.422 HD23 ' CD1' ' A' ' 102' ' ' PHE 0.445 0.2 OUTLIER -68.36 -28.62 67.28 Favored 'General case' 0 C--N 1.372 1.571 0 O-C-N 119.422 -2.049 . . . . 0.0 112.332 166.717 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -43.02 99.29 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 126.068 1.747 . . . . 0.0 111.554 170.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.384 0.0 OUTLIER -65.06 -30.17 71.11 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 170.726 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.65 -33.37 70.89 Favored 'General case' 0 C--N 1.365 1.28 0 O-C-N 120.367 -1.458 . . . . 0.0 114.515 167.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.273 28.9 p -69.03 -40.04 78.86 Favored 'General case' 0 C--N 1.382 2.022 0 C-N-CA 125.415 1.486 . . . . 0.0 110.844 168.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.45 -39.02 83.0 Favored 'Isoleucine or valine' 0 C--N 1.365 1.239 0 C-N-CA 124.782 1.233 . . . . 0.0 113.655 174.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -70.27 -29.06 65.73 Favored 'General case' 0 C--N 1.367 1.357 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 170.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -64.05 -44.85 91.19 Favored 'General case' 0 C--N 1.372 1.586 0 O-C-N 119.113 -2.242 . . . . 0.0 111.788 168.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.6 mt -64.44 -31.4 72.59 Favored 'General case' 0 C--N 1.362 1.147 0 O-C-N 120.794 -1.192 . . . . 0.0 113.993 175.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -33.58 65.9 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 126.271 1.828 . . . . 0.0 112.756 168.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.0 m -81.93 -18.41 43.71 Favored 'General case' 0 C--N 1.376 1.761 0 C-N-CA 125.937 1.695 . . . . 0.0 115.239 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -87.24 99.53 12.02 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 120.557 -1.339 . . . . 0.0 111.61 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.41 7.0 pt20 -42.15 -48.42 11.54 Favored Pre-proline 0 C--N 1.364 1.213 0 N-CA-C 121.064 3.727 . . . . 0.0 121.064 -177.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -66.5 -22.95 50.89 Favored 'Trans proline' 0 CA--C 1.551 1.357 0 CA-C-N 127.839 3.835 . . . . 0.0 115.609 166.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.45 -32.13 67.98 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-N 121.819 2.099 . . . . 0.0 113.147 -177.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 46.5 mtp -56.66 -28.45 60.7 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 130.246 3.418 . . . . 0.0 114.556 166.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -94.95 -14.69 24.2 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.169 2.188 . . . . 0.0 112.384 175.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.15 -39.18 10.71 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 127.714 2.406 . . . . 0.0 110.678 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 m -134.17 144.87 34.12 Favored 'Isoleucine or valine' 0 C--N 1.364 1.198 0 N-CA-C 104.301 -2.481 . . . . 0.0 104.301 173.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -100.93 -42.66 6.34 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 128.168 2.587 . . . . 0.0 114.011 -176.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.804 14.6 mm-40 -98.43 41.14 1.15 Allowed 'General case' 0 CA--C 1.5 -0.948 1 C-N-CA 133.469 4.707 . . . . 0.0 115.968 -172.63 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -84.99 107.69 16.19 Favored 'Isoleucine or valine' 0 C--N 1.361 1.077 0 CA-C-O 124.351 2.024 . . . . 0.0 106.662 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.6 t -147.4 168.87 20.75 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 112.12 -2.309 . . . . 0.0 112.141 -169.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -101.28 -17.95 16.33 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 127.508 2.323 . . . . 0.0 111.331 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.274 10.6 m -169.5 -67.63 0.0 OUTLIER Pre-proline 0 C--N 1.363 1.182 0 CA-C-O 116.171 -1.871 . . . . 0.0 112.0 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -72.49 136.39 26.03 Favored 'Trans proline' 0 C--N 1.364 1.375 0 CA-C-N 127.241 3.622 . . . . 0.0 111.001 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.93 4.72 57.69 Favored Glycine 0 C--N 1.353 1.523 0 O-C-N 121.224 -0.922 . . . . 0.0 112.453 -168.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.25 0.1 OUTLIER -79.02 -21.58 46.73 Favored 'General case' 0 C--N 1.373 1.605 0 O-C-N 120.387 -1.655 . . . . 0.0 114.977 -179.069 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -99.12 10.89 40.54 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 128.032 2.533 . . . . 0.0 112.551 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.32 164.19 28.3 Favored Pre-proline 0 C--N 1.358 0.961 0 C-N-CA 125.64 1.576 . . . . 0.0 110.257 178.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.25 163.0 15.2 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.754 2.969 . . . . 0.0 114.036 -174.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.413 ' CE1' ' CE1' ' A' ' 43' ' ' TYR . 73.6 m-85 -65.98 147.03 98.99 Favored Pre-proline 0 C--N 1.364 1.204 0 C-N-CA 129.359 3.063 . . . . 0.0 115.195 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -81.94 147.9 68.84 Favored 'Cis proline' 0 CA--C 1.549 1.253 0 CA-C-N 121.131 1.44 . . . . 0.0 114.253 2.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.413 ' CE1' ' CE1' ' A' ' 41' ' ' TYR . 25.8 p90 -166.74 167.82 14.82 Favored 'General case' 0 C--N 1.367 1.337 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.1 t -135.28 128.57 48.83 Favored 'Isoleucine or valine' 0 C--N 1.395 2.547 0 CA-C-O 123.132 1.444 . . . . 0.0 109.709 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.7 m -119.04 143.58 29.81 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 O-C-N 120.259 -1.525 . . . . 0.0 110.025 173.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 37.4 mm -78.63 139.85 17.82 Favored 'Isoleucine or valine' 0 C--N 1.366 1.31 0 C-N-CA 127.291 2.236 . . . . 0.0 109.881 170.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.04 -166.01 20.02 Favored Glycine 0 CA--C 1.493 -1.333 0 N-CA-C 107.028 -2.429 . . . . 0.0 107.028 174.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -145.97 145.51 30.68 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 102.996 -2.964 . . . . 0.0 102.996 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 . . . . . 0 C--N 1.359 0.987 0 O-C-N 120.547 -1.346 . . . . 0.0 111.77 -174.351 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.3 t30 . . . . . 0 N--CA 1.445 -0.694 0 N-CA-C 102.071 -3.307 . . . . 0.0 102.071 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.1 121.81 60.43 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 N-CA-C 102.008 -3.331 . . . . 0.0 102.008 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.3 p -128.43 119.32 24.73 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-O 117.146 -1.407 . . . . 0.0 108.801 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 3.7 tpt -154.19 162.14 41.38 Favored 'General case' 0 C--N 1.37 1.488 0 CA-C-N 119.409 1.004 . . . . 0.0 109.991 174.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.38 163.88 28.69 Favored 'General case' 0 C--N 1.36 1.033 0 O-C-N 119.897 -1.752 . . . . 0.0 110.046 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.63 150.23 49.57 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 104.201 -2.518 . . . . 0.0 104.201 172.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -112.04 118.82 36.46 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 100.262 -3.977 . . . . 0.0 100.262 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.8 t -119.52 111.65 33.94 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.15 0 N-CA-C 103.916 -2.624 . . . . 0.0 103.916 -168.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -133.93 139.56 46.21 Favored 'General case' 0 C--N 1.366 1.306 0 C-N-CA 116.145 -2.222 . . . . 0.0 107.964 -177.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -127.83 174.19 18.67 Favored Glycine 0 C--N 1.36 1.87 0 CA-C-O 122.116 0.842 . . . . 0.0 111.916 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -129.45 -154.2 8.1 Favored Glycine 0 C--N 1.357 1.746 0 C-N-CA 128.582 2.991 . . . . 0.0 108.511 177.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.9 m 73.15 -62.87 0.46 Allowed 'General case' 0 C--N 1.364 1.2 0 C-N-CA 127.736 2.414 . . . . 0.0 117.215 172.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.0 m -159.41 155.17 26.17 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 125.279 1.432 . . . . 0.0 107.702 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.73 -34.24 38.19 Favored 'General case' 0 C--N 1.366 1.311 1 C-N-CA 132.406 4.282 . . . . 0.0 116.017 177.21 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.57 -35.15 77.0 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 130.08 3.352 . . . . 0.0 113.918 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -60.93 -33.11 72.65 Favored 'General case' 0 C--N 1.372 1.557 0 C-N-CA 127.853 2.461 . . . . 0.0 114.386 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.68 -39.42 80.59 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 130.532 3.533 . . . . 0.0 113.824 174.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -40.2 63.49 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 127.77 2.428 . . . . 0.0 110.186 174.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -62.56 -42.17 99.37 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 127.008 2.123 . . . . 0.0 112.933 171.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.283 14.8 pt -67.17 -44.89 87.54 Favored 'Isoleucine or valine' 0 C--N 1.373 1.619 0 CA-C-N 121.033 1.742 . . . . 0.0 112.773 172.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.4 t -67.65 -44.09 78.74 Favored 'General case' 0 C--N 1.367 1.342 0 CA-C-N 120.965 1.711 . . . . 0.0 114.74 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.2 t -67.24 -34.74 78.1 Favored 'General case' 0 C--N 1.371 1.533 0 C-N-CA 127.391 2.276 . . . . 0.0 113.51 174.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -75.42 -29.78 59.84 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 125.929 1.692 . . . . 0.0 111.662 173.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.1 t -66.76 -49.56 73.4 Favored 'Isoleucine or valine' 0 C--N 1.383 2.048 0 C-N-CA 127.789 2.435 . . . . 0.0 111.169 171.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.36 3.4 pp -65.01 -37.11 86.58 Favored 'General case' 0 C--N 1.378 1.825 0 O-C-N 119.722 -1.861 . . . . 0.0 114.333 175.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.45 -45.3 94.86 Favored 'General case' 0 C--N 1.376 1.73 0 C-N-CA 126.352 1.861 . . . . 0.0 112.282 170.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.55 -54.01 50.59 Favored 'General case' 0 C--N 1.375 1.686 0 C-N-CA 126.553 1.941 . . . . 0.0 113.466 170.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 27.5 mt -48.77 -31.91 7.74 Favored 'General case' 0 C--N 1.381 1.955 0 C-N-CA 128.463 2.705 . . . . 0.0 116.407 176.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.537 0.3 OUTLIER -110.53 9.52 23.17 Favored 'General case' 0 C--N 1.374 1.635 0 N-CA-C 116.766 2.136 . . . . 0.0 116.766 162.784 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -44.58 35.9 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 117.814 -3.054 . . . . 0.0 108.517 175.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.67 142.31 24.68 Favored Pre-proline 0 C--N 1.358 0.956 0 N-CA-C 102.17 -3.27 . . . . 0.0 102.17 173.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -79.65 155.67 24.24 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 124.267 3.312 . . . . 0.0 111.275 -175.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.8 mt -90.37 107.34 19.09 Favored 'General case' 0 C--N 1.366 1.313 0 CA-C-O 123.792 1.758 . . . . 0.0 108.705 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.1 ttt -144.55 135.06 24.59 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 112.716 -2.038 . . . . 0.0 109.893 -168.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -133.53 108.66 8.75 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 175.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 74.01 18.29 3.26 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 129.832 3.253 . . . . 0.0 114.2 176.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.48 5.16 57.01 Favored Glycine 0 C--N 1.354 1.544 0 C-N-CA 125.733 1.635 . . . . 0.0 112.322 -174.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -101.1 125.05 47.69 Favored 'General case' 0 C--N 1.36 1.059 0 CA-C-N 118.725 1.262 . . . . 0.0 110.617 -177.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.7 p -93.45 133.5 36.66 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 127.944 2.498 . . . . 0.0 114.734 -176.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.422 ' CD1' HD23 ' A' ' 10' ' ' LEU 0.287 0.0 OUTLIER -133.76 152.72 51.95 Favored 'General case' 0 C--N 1.363 1.156 0 O-C-N 121.061 -1.025 . . . . 0.0 108.563 179.568 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.8 t -106.46 117.1 51.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.026 0 C-N-CA 127.206 2.202 . . . . 0.0 111.62 -169.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.35 138.17 33.64 Favored 'General case' 0 C--N 1.366 1.315 0 N-CA-C 118.582 2.808 . . . . 0.0 118.582 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? . . . . . 0 C--N 1.36 1.06 0 C-N-CA 126.451 1.9 . . . . 0.0 107.906 170.149 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.519 -0.222 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.4 158.09 22.59 Favored Glycine 0 CA--C 1.488 -1.653 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.89 115.8 50.61 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 1 N-CA-C 99.201 -4.37 . . . . 0.0 99.201 172.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 49.6 mt -117.56 117.2 54.31 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 C-N-CA 125.06 1.344 . . . . 0.0 108.314 -171.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -92.42 131.77 37.31 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-O 122.784 1.278 . . . . 0.0 109.12 172.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.42 126.74 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 171.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -119.88 128.05 53.29 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 103.919 -2.622 . . . . 0.0 103.919 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -128.19 141.36 51.49 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 102.227 -3.249 . . . . 0.0 102.227 -173.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 86.5 m -132.51 144.75 50.65 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 105.944 -1.873 . . . . 0.0 105.944 -170.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.362 1.129 0 O-C-N 120.195 -1.566 . . . . 0.0 111.26 178.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 111.312 0.116 . . . . 0.0 111.312 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.32 -33.44 75.98 Favored 'General case' 0 C--N 1.381 1.951 0 C-N-CA 126.102 1.761 . . . . 0.0 113.52 175.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 71.2 m -62.3 -48.37 80.15 Favored 'General case' 0 C--N 1.374 1.659 0 C-N-CA 124.311 1.044 . . . . 0.0 113.698 175.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.637 45.6 ttp180 -73.86 -37.29 64.83 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 119.237 -2.164 . . . . 0.0 116.554 169.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.35 -23.43 5.9 Favored 'General case' 0 CA--C 1.573 1.846 0 O-C-N 117.324 -3.36 . . . . 0.0 115.025 168.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -29.29 68.26 Favored 'General case' 0 C--N 1.375 1.675 0 C-N-CA 128.295 2.638 . . . . 0.0 115.816 163.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.0 -41.32 74.52 Favored 'General case' 0 C--N 1.382 1.984 0 C-N-CA 128.948 2.899 . . . . 0.0 108.232 172.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -67.32 -30.22 70.0 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 115.07 -0.968 . . . . 0.0 113.135 168.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.44 -40.89 85.45 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 120.306 -1.496 . . . . 0.0 112.324 167.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -69.14 -36.97 78.02 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 123.951 1.834 . . . . 0.0 111.937 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -31.38 51.13 Favored 'Isoleucine or valine' 0 C--N 1.372 1.556 0 C-N-CA 125.224 1.41 . . . . 0.0 112.017 170.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -70.86 -29.8 66.03 Favored 'General case' 0 C--N 1.372 1.562 0 C-N-CA 124.955 1.302 . . . . 0.0 113.394 172.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -68.82 -40.46 79.47 Favored 'General case' 0 C--N 1.368 1.413 0 C-N-CA 125.962 1.705 . . . . 0.0 110.857 171.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mp -59.03 -42.25 89.75 Favored 'General case' 0 C--N 1.377 1.792 0 N-CA-C 114.96 1.466 . . . . 0.0 114.96 169.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.254 8.3 pt-20 -79.33 -16.57 56.11 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 171.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.4 m -83.37 -21.98 32.92 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 125.048 1.339 . . . . 0.0 112.867 175.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -84.58 102.86 13.21 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 124.861 1.265 . . . . 0.0 113.052 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.364 16.2 pt20 -44.52 -47.74 26.61 Favored Pre-proline 0 C--N 1.365 1.244 0 N-CA-C 120.862 3.653 . . . . 0.0 120.862 -179.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -66.42 -20.2 54.75 Favored 'Trans proline' 0 C--N 1.364 1.387 0 CA-C-N 127.55 3.732 . . . . 0.0 115.238 168.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.28 -34.56 68.28 Favored 'General case' 0 C--N 1.375 1.678 0 CA-C-N 121.346 1.885 . . . . 0.0 112.156 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 76.7 mmm -63.08 -28.54 70.15 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 129.704 3.202 . . . . 0.0 116.841 175.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -94.69 -21.64 18.65 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 125.236 1.415 . . . . 0.0 112.197 176.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.7 mmt -86.67 -41.37 14.26 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.14 1.776 . . . . 0.0 112.929 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.0 m -126.59 146.05 33.1 Favored 'Isoleucine or valine' 0 C--N 1.364 1.218 0 N-CA-C 103.8 -2.667 . . . . 0.0 103.8 172.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -100.95 -39.29 7.83 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 129.442 3.097 . . . . 0.0 112.191 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.377 16.9 mt-30 -95.96 41.92 1.1 Allowed 'General case' 0 N--CA 1.428 -1.528 1 C-N-CA 140.973 7.709 . . . . 0.0 112.25 -164.078 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.3 t -86.43 106.97 16.2 Favored 'Isoleucine or valine' 0 C--N 1.38 1.895 0 N-CA-C 104.635 -2.357 . . . . 0.0 104.635 176.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 t -146.02 170.07 17.39 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 113.45 -1.705 . . . . 0.0 113.354 -170.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.06 23.0 3.28 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 126.913 2.085 . . . . 0.0 109.382 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 82.2 p -122.98 -164.96 0.06 OUTLIER Pre-proline 0 C--N 1.351 0.655 0 C-N-CA 126.783 2.033 . . . . 0.0 109.611 -171.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -62.77 141.26 84.41 Favored 'Trans proline' 0 C--N 1.371 1.737 0 C-N-CA 123.817 3.011 . . . . 0.0 110.347 160.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 148.16 -5.09 0.88 Allowed Glycine 0 C--N 1.348 1.196 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.793 -165.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.251 0.0 OUTLIER -78.21 -18.27 55.65 Favored 'General case' 0 C--N 1.365 1.25 0 N-CA-C 117.643 2.46 . . . . 0.0 117.643 -175.094 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -106.16 16.34 25.06 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 128.338 2.655 . . . . 0.0 114.628 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.15 179.85 1.2 Allowed Pre-proline 0 C--N 1.355 0.829 0 C-N-CA 127.297 2.239 . . . . 0.0 112.906 -172.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -64.93 131.76 30.01 Favored 'Trans proline' 0 C--N 1.367 1.546 0 C-N-CA 124.6 3.534 . . . . 0.0 115.933 -177.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -78.55 146.47 69.69 Favored Pre-proline 0 C--N 1.354 0.781 1 C-N-CA 132.627 4.371 . . . . 0.0 114.301 -174.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -85.98 148.28 42.13 Favored 'Cis proline' 0 C--N 1.364 1.392 0 CA-C-N 124.827 2.76 . . . . 0.0 114.53 1.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -173.37 169.42 4.44 Favored 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 114.498 1.295 . . . . 0.0 114.498 -175.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 p -138.52 137.48 43.41 Favored 'Isoleucine or valine' 0 C--N 1.406 3.058 0 N-CA-C 116.409 2.004 . . . . 0.0 116.409 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . 0.314 8.4 m -117.77 156.11 19.43 Favored 'Isoleucine or valine' 0 C--N 1.38 1.892 0 O-C-N 120.339 -1.476 . . . . 0.0 111.387 170.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.1 mm -81.69 139.65 17.65 Favored 'Isoleucine or valine' 0 C--N 1.369 1.436 0 C-N-CA 125.169 1.388 . . . . 0.0 110.471 169.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -159.37 -164.14 14.24 Favored Glycine 0 C--N 1.35 1.359 0 N-CA-C 106.067 -2.813 . . . . 0.0 106.067 174.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -146.49 147.66 31.41 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 105.771 -1.936 . . . . 0.0 105.771 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 . . . . . 0 C--N 1.364 1.221 0 CA-C-N 120.76 1.618 . . . . 0.0 114.884 -176.821 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.36 0.6 OUTLIER . . . . . 0 C--O 1.234 0.24 0 CA-C-O 123.589 1.661 . . . . 0.0 110.177 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.456 HD12 ' CE2' ' A' ' 102' ' ' PHE . 5.2 mt -118.29 132.79 67.12 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 C-N-CA 129.411 3.084 . . . . 0.0 107.103 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.1 p -116.45 118.45 32.71 Favored 'General case' 0 C--N 1.366 1.289 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 171.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.96 139.53 27.61 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-N 119.815 1.189 . . . . 0.0 113.374 -175.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.0 163.18 25.92 Favored 'General case' 0 C--N 1.363 1.163 0 CA-C-O 124.638 2.161 . . . . 0.0 110.35 174.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -131.8 136.57 47.63 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 101.21 -3.626 . . . . 0.0 101.21 168.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -113.24 119.19 36.88 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 -178.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -117.44 131.32 70.51 Favored 'Isoleucine or valine' 0 C--N 1.364 1.214 0 N-CA-C 107.672 -1.232 . . . . 0.0 107.672 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -130.56 123.66 30.05 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.06 -1.056 . . . . 0.0 108.555 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.96 118.8 5.71 Favored Glycine 0 C--N 1.363 2.047 0 C-N-CA 124.439 1.019 . . . . 0.0 111.262 174.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.29 25.95 26.25 Favored Glycine 0 C--N 1.361 1.934 0 C-N-CA 128.019 2.723 . . . . 0.0 114.719 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.7 p -103.79 -81.26 0.52 Allowed 'General case' 0 C--N 1.345 0.39 0 C-N-CA 127.812 2.445 . . . . 0.0 110.027 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -157.13 161.09 39.38 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 106.78 -1.563 . . . . 0.0 106.78 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 -51.64 -35.89 43.9 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 130.266 3.427 . . . . 0.0 117.792 -175.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.48 -36.06 78.42 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 126.113 1.765 . . . . 0.0 113.853 176.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -67.61 -33.15 74.42 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 126.854 2.062 . . . . 0.0 114.452 177.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.47 -35.09 78.5 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.946 2.098 . . . . 0.0 114.87 173.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -70.52 -38.97 74.34 Favored 'General case' 0 C--N 1.377 1.804 0 C-N-CA 128.475 2.71 . . . . 0.0 109.965 173.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.15 -51.38 61.5 Favored 'General case' 0 C--N 1.372 1.58 0 C-N-CA 126.628 1.971 . . . . 0.0 111.683 172.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.422 9.1 pt -63.47 -37.64 80.11 Favored 'Isoleucine or valine' 0 C--N 1.379 1.849 0 CA-C-N 121.759 2.072 . . . . 0.0 114.76 173.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.7 m -64.02 -46.68 83.38 Favored 'General case' 0 C--N 1.372 1.574 0 C-N-CA 127.475 2.31 . . . . 0.0 113.276 173.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.6 t -75.43 -27.85 59.12 Favored 'General case' 0 C--N 1.371 1.507 0 O-C-N 119.651 -1.906 . . . . 0.0 113.285 175.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.32 -42.0 99.02 Favored 'General case' 0 C--N 1.377 1.797 0 C-N-CA 128.571 2.748 . . . . 0.0 109.177 172.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.49 -50.52 80.0 Favored 'Isoleucine or valine' 0 C--N 1.373 1.621 0 C-N-CA 127.361 2.264 . . . . 0.0 112.711 169.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.0 mp -60.89 -46.79 89.22 Favored 'General case' 0 N--CA 1.501 2.1 0 CA-C-N 123.089 2.677 . . . . 0.0 115.092 175.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -62.03 -34.56 76.46 Favored 'General case' 0 C--N 1.37 1.487 0 CA-C-O 117.023 -1.465 . . . . 0.0 113.033 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.33 67.64 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 126.51 1.924 . . . . 0.0 114.349 171.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.4 -47.54 56.42 Favored 'General case' 0 C--N 1.384 2.08 0 C-N-CA 129.386 3.074 . . . . 0.0 113.691 178.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.529 0.2 OUTLIER -104.2 10.48 35.72 Favored 'General case' 0 C--N 1.37 1.467 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 172.055 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -48.68 20.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 119.251 -2.155 . . . . 0.0 108.834 175.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER -126.07 137.49 30.26 Favored Pre-proline 0 C--N 1.353 0.722 0 N-CA-C 102.16 -3.274 . . . . 0.0 102.16 171.687 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.65 159.49 21.95 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 124.496 3.464 . . . . 0.0 112.732 -170.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.0 107.64 20.12 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-O 123.733 1.73 . . . . 0.0 109.659 178.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 34.9 ttp -143.56 131.06 21.08 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 -176.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -129.62 123.04 30.29 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 176.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 81.06 7.83 1.18 Allowed 'General case' 0 C--N 1.367 1.332 0 C-N-CA 130.916 3.686 . . . . 0.0 113.818 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 90.68 12.96 60.18 Favored Glycine 0 C--N 1.357 1.728 0 C-N-CA 125.474 1.511 . . . . 0.0 110.861 -170.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -109.36 125.04 51.94 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 124.118 0.967 . . . . 0.0 111.099 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.3 t -109.84 156.34 20.5 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 126.222 1.809 . . . . 0.0 108.523 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.456 ' CE2' HD12 ' A' ' 64' ' ' ILE . 8.4 m-85 -121.16 159.1 26.54 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 102.116 -3.29 . . . . 0.0 102.116 -176.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.3 t -105.56 121.85 58.25 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.565 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.15 137.77 33.93 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 125.45 1.5 . . . . 0.0 114.155 -173.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 N--CA 1.44 -0.964 0 C-N-CA 128.398 2.679 . . . . 0.0 106.215 178.686 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.6 m80 . . . . . 0 C--O 1.236 0.37 0 N-CA-C 103.442 -2.799 . . . . 0.0 103.442 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -125.71 143.38 14.42 Favored Glycine 0 C--N 1.365 2.184 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 -171.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 17.4 tt -123.27 119.06 56.52 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.2 mp -109.9 113.62 44.72 Favored 'Isoleucine or valine' 0 C--N 1.359 0.988 0 N-CA-C 106.233 -1.765 . . . . 0.0 106.233 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -114.27 131.21 56.58 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 125.04 1.336 . . . . 0.0 108.288 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 15.3 t -123.55 143.89 35.12 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 174.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -119.27 139.0 52.63 Favored 'General case' 0 C--N 1.36 1.058 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 173.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.33 137.32 38.79 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 -174.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 28.4 m -124.49 140.53 52.86 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 124.606 1.162 . . . . 0.0 112.15 -177.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.2 pt . . . . . 0 C--N 1.367 1.331 0 O-C-N 120.599 -1.313 . . . . 0.0 109.039 172.602 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.477 0.18 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.95 -37.89 83.94 Favored 'General case' 0 C--N 1.378 1.844 0 C-N-CA 127.233 2.213 . . . . 0.0 113.375 175.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.9 p -58.66 -47.78 83.32 Favored 'General case' 0 C--N 1.366 1.306 0 C-N-CA 126.533 1.933 . . . . 0.0 114.105 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.428 16.1 ptm180 -72.85 -36.51 67.46 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 128.858 2.863 . . . . 0.0 115.124 169.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.14 -23.6 5.71 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 126.461 1.904 . . . . 0.0 113.919 169.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.412 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -61.61 -32.87 73.02 Favored 'General case' 0 C--N 1.37 1.495 0 N-CA-C 115.96 1.837 . . . . 0.0 115.96 164.198 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.263 5.2 tp60 -70.61 -37.76 73.89 Favored 'General case' 0 C--N 1.372 1.548 0 C-N-CA 126.926 2.09 . . . . 0.0 109.818 173.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.03 -32.6 74.16 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 167.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.53 -34.15 67.37 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 119.676 -1.89 . . . . 0.0 113.129 170.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.4 m -70.91 -37.23 72.94 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.935 2.494 . . . . 0.0 110.795 172.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.12 -31.41 44.55 Favored 'Isoleucine or valine' 0 C--N 1.364 1.229 0 O-C-N 119.45 -2.031 . . . . 0.0 111.935 171.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -70.56 -29.55 66.03 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 124.722 1.209 . . . . 0.0 112.539 169.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -62.01 -45.43 93.64 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 126.925 2.09 . . . . 0.0 111.073 166.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.52 -34.48 74.17 Favored 'General case' 0 C--N 1.364 1.239 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 171.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -77.33 -22.86 51.2 Favored 'General case' 0 C--N 1.367 1.341 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 169.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.3 m -82.0 -31.59 31.0 Favored 'General case' 0 C--N 1.37 1.475 0 C-N-CA 125.559 1.544 . . . . 0.0 112.612 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -72.38 96.12 1.84 Allowed 'General case' 0 C--N 1.358 0.96 0 C-N-CA 126.732 2.013 . . . . 0.0 113.43 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.309 5.8 pt20 -40.44 -46.85 6.12 Favored Pre-proline 0 C--N 1.366 1.296 0 N-CA-C 120.204 3.409 . . . . 0.0 120.204 -177.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -66.32 -28.21 47.25 Favored 'Trans proline' 0 C--N 1.361 1.228 0 CA-C-N 127.715 3.791 . . . . 0.0 116.271 168.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.608 0.4 OUTLIER -82.51 -20.79 36.02 Favored 'General case' 0 C--N 1.387 2.199 0 CA-C-N 123.656 2.935 . . . . 0.0 114.133 -173.271 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 50.6 mmm -63.87 -27.95 69.51 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 129.817 3.247 . . . . 0.0 113.821 170.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -83.92 -28.18 28.06 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 127.171 2.188 . . . . 0.0 112.211 174.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 18.5 mmt -87.49 -46.29 9.73 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 126.462 1.905 . . . . 0.0 112.68 178.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.4 m -122.69 140.91 45.04 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 N-CA-C 100.724 -3.806 . . . . 0.0 100.724 169.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -104.32 -24.64 13.07 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 125.862 2.744 . . . . 0.0 112.201 175.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.257 2.0 mm100 -97.51 38.17 1.3 Allowed 'General case' 0 N--CA 1.43 -1.438 1 C-N-CA 136.95 6.1 . . . . 0.0 112.475 -169.496 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.5 p -87.38 107.73 17.47 Favored 'Isoleucine or valine' 0 C--N 1.357 0.916 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.2 t -132.86 156.19 47.63 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 123.304 1.526 . . . . 0.0 112.193 -168.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -98.34 -22.47 16.08 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.889 2.075 . . . . 0.0 113.518 -176.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.283 14.4 m -156.66 -73.05 0.02 OUTLIER Pre-proline 0 CA--C 1.509 -0.623 0 CA-C-O 115.028 -2.415 . . . . 0.0 108.274 178.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -72.48 138.23 29.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 124.264 3.309 . . . . 0.0 114.215 -177.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 118.58 10.02 8.86 Favored Glycine 0 C--N 1.359 1.829 0 O-C-N 121.216 -0.928 . . . . 0.0 111.772 171.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -17.95 61.88 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 126.644 1.978 . . . . 0.0 115.843 -174.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -100.96 15.58 28.16 Favored 'General case' 0 C--N 1.364 1.199 0 C-N-CA 128.505 2.722 . . . . 0.0 112.253 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -88.12 154.52 52.12 Favored Pre-proline 0 C--N 1.367 1.341 0 C-N-CA 125.66 1.584 . . . . 0.0 110.095 176.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.96 148.8 25.27 Favored 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 123.875 3.05 . . . . 0.0 116.055 -169.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -61.62 135.11 94.01 Favored Pre-proline 0 C--N 1.365 1.24 1 C-N-CA 131.944 4.098 . . . . 0.0 116.107 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -80.44 148.63 77.36 Favored 'Cis proline' 0 C--N 1.355 0.898 0 CA-C-N 123.945 2.445 . . . . 0.0 115.288 5.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -172.63 168.65 5.2 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 124.427 1.091 . . . . 0.0 112.915 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.5 t -128.66 138.17 55.33 Favored 'Isoleucine or valine' 0 C--N 1.391 2.401 0 CA-C-O 122.391 1.091 . . . . 0.0 111.85 177.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.3 m -126.08 152.19 33.11 Favored 'Isoleucine or valine' 0 C--N 1.36 1.064 0 O-C-N 121.083 -1.011 . . . . 0.0 108.959 174.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 37.4 mm -88.98 139.1 17.92 Favored 'Isoleucine or valine' 0 C--N 1.371 1.539 0 C-N-CA 125.342 1.457 . . . . 0.0 107.853 167.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.81 -154.17 6.5 Favored Glycine 0 C--N 1.35 1.349 0 N-CA-C 106.743 -2.543 . . . . 0.0 106.743 174.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -146.57 145.19 30.02 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 175.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 . . . . . 0 C--N 1.361 1.099 0 C-N-CA 124.938 1.295 . . . . 0.0 108.009 -177.268 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.9 m120 . . . . . 0 CA--C 1.517 -0.326 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -108.45 127.68 64.64 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 103.699 -2.704 . . . . 0.0 103.699 178.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.8 p -127.39 117.17 21.66 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 177.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . 0.313 1.2 ttt -155.11 162.26 41.05 Favored 'General case' 0 C--N 1.372 1.578 0 CA-C-N 120.682 1.583 . . . . 0.0 114.796 -177.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -131.13 151.88 50.99 Favored 'General case' 0 C--N 1.367 1.33 0 CA-C-O 122.555 1.169 . . . . 0.0 112.927 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.296 0.0 OUTLIER -124.34 130.93 53.38 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 128.03 2.532 . . . . 0.0 104.995 167.757 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -112.5 119.12 37.12 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 102.82 -3.029 . . . . 0.0 102.82 -174.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.79 117.33 50.77 Favored 'Isoleucine or valine' 0 C--N 1.364 1.232 0 N-CA-C 103.695 -2.706 . . . . 0.0 103.695 -170.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.49 131.99 45.41 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 115.796 -2.362 . . . . 0.0 107.554 -176.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.32 145.17 16.15 Favored Glycine 0 C--N 1.36 1.909 0 O-C-N 121.28 -0.887 . . . . 0.0 112.836 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -123.72 -178.73 15.52 Favored Glycine 0 C--N 1.349 1.259 0 N-CA-C 106.085 -2.806 . . . . 0.0 106.085 175.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.264 6.2 m 74.17 -61.37 0.5 Allowed 'General case' 0 C--N 1.356 0.851 0 C-N-CA 127.697 2.399 . . . . 0.0 114.591 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.6 p -131.67 157.2 44.36 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 125.032 1.333 . . . . 0.0 108.201 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.49 ' H ' ' HD2' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -66.59 -35.27 79.79 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 128.784 2.834 . . . . 0.0 114.153 175.181 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.83 -35.55 74.87 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 129.96 3.304 . . . . 0.0 113.867 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -62.35 -36.12 81.24 Favored 'General case' 0 C--N 1.366 1.288 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.37 75.67 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 127.862 2.465 . . . . 0.0 114.399 175.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -76.95 -40.86 45.49 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 128.344 2.658 . . . . 0.0 111.26 174.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -64.28 -48.79 74.36 Favored 'General case' 0 C--N 1.376 1.726 0 C-N-CA 127.006 2.122 . . . . 0.0 110.361 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.343 4.2 pt -61.6 -37.92 79.04 Favored 'Isoleucine or valine' 0 C--N 1.373 1.622 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 172.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . 0.353 2.4 p -68.71 -49.66 57.1 Favored 'General case' 0 C--N 1.374 1.666 0 O-C-N 119.91 -1.744 . . . . 0.0 114.157 170.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.5 t -57.53 -41.7 81.44 Favored 'General case' 0 C--N 1.377 1.792 0 C-N-CA 128.264 2.626 . . . . 0.0 113.577 172.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -74.28 -31.58 62.58 Favored 'General case' 0 C--N 1.371 1.505 0 C-N-CA 125.799 1.64 . . . . 0.0 113.262 173.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.254 1.2 t -63.59 -47.07 93.06 Favored 'Isoleucine or valine' 0 C--N 1.383 2.051 0 CA-C-N 121.876 2.126 . . . . 0.0 111.599 172.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.69 -43.27 99.25 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 125.92 1.688 . . . . 0.0 112.866 176.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -61.33 -33.73 74.09 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 125.961 1.704 . . . . 0.0 113.416 170.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.17 -50.83 29.1 Favored 'General case' 0 C--N 1.377 1.766 0 C-N-CA 127.824 2.449 . . . . 0.0 112.192 171.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 67.6 mt -51.26 -26.44 7.25 Favored 'General case' 0 C--N 1.383 2.03 0 C-N-CA 128.522 2.729 . . . . 0.0 116.048 175.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 1.274 0.1 OUTLIER -111.45 12.91 21.47 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 120.361 3.467 . . . . 0.0 120.361 162.485 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -91.83 -50.58 5.65 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 120.732 -1.23 . . . . 0.0 109.807 175.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.45 139.31 20.2 Favored Pre-proline 0 C--N 1.366 1.322 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.55 149.57 21.32 Favored 'Trans proline' 0 C--N 1.363 1.334 0 C-N-CA 124.895 3.73 . . . . 0.0 111.16 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.4 mt -92.9 109.03 20.47 Favored 'General case' 0 C--N 1.363 1.176 0 CA-C-O 123.34 1.543 . . . . 0.0 114.931 -172.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 26.9 ttm -143.8 139.35 29.31 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 124.607 1.163 . . . . 0.0 110.269 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -123.4 107.64 11.84 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . 0.347 11.3 pt-20 55.93 16.64 2.2 Favored 'General case' 0 C--N 1.357 0.896 1 C-N-CA 134.431 5.092 . . . . 0.0 117.526 176.762 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 122.25 -10.25 9.37 Favored Glycine 0 C--N 1.348 1.242 0 C-N-CA 126.602 2.048 . . . . 0.0 110.476 -175.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -93.18 126.97 38.56 Favored 'General case' 0 C--N 1.364 1.225 0 CA-C-N 119.026 1.413 . . . . 0.0 110.378 -178.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.0 m -102.49 140.52 36.65 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 124.962 1.305 . . . . 0.0 112.183 -175.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -134.74 143.68 47.29 Favored 'General case' 0 C--N 1.363 1.164 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 179.649 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.1 t -107.39 129.04 61.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 C-N-CA 125.826 1.65 . . . . 0.0 107.757 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.21 138.61 32.24 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 127.541 2.336 . . . . 0.0 114.745 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.1 tttm . . . . . 0 C--N 1.359 0.985 0 C-N-CA 127.688 2.395 . . . . 0.0 110.968 179.664 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.237 0.43 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -118.16 147.62 18.6 Favored Glycine 0 C--N 1.357 1.717 0 C-N-CA 124.721 1.153 . . . . 0.0 111.498 -174.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 16.2 tt -120.02 116.63 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 N-CA-C 103.333 -2.839 . . . . 0.0 103.333 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.0 mp -114.63 114.54 46.88 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 -177.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -108.89 136.76 47.91 Favored 'General case' 0 C--N 1.362 1.133 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 175.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 73.2 t -131.15 151.53 35.96 Favored 'Isoleucine or valine' 0 C--O 1.244 0.79 0 N-CA-C 104.223 -2.51 . . . . 0.0 104.223 175.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.22 140.06 50.36 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 103.588 -2.745 . . . . 0.0 103.588 173.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -126.25 147.32 49.71 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 103.403 -2.814 . . . . 0.0 103.403 -173.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 20.5 m -136.04 143.32 44.64 Favored 'General case' 0 CA--C 1.5 -0.978 0 O-C-N 120.334 -1.479 . . . . 0.0 108.033 -174.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 11.9 pt . . . . . 0 C--N 1.367 1.336 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 171.052 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.2 tp . . . . . 0 C--O 1.223 -0.298 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.09 -51.58 37.17 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 126.377 1.871 . . . . 0.0 113.679 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.403 ' HB2' ' HB ' ' A' ' 64' ' ' ILE . 60.7 p -58.18 -47.39 83.56 Favored 'General case' 0 C--N 1.375 1.691 0 O-C-N 119.912 -1.742 . . . . 0.0 114.056 178.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.787 0.4 OUTLIER -61.7 -34.9 76.58 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 129.831 3.252 . . . . 0.0 115.574 168.905 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.61 -22.61 3.46 Favored 'General case' 0 CA--C 1.568 1.638 0 O-C-N 118.293 -2.754 . . . . 0.0 114.269 163.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -55.72 -32.54 63.43 Favored 'General case' 0 N--CA 1.509 2.518 0 N-CA-C 117.461 2.393 . . . . 0.0 117.461 161.066 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.255 0.1 OUTLIER -70.2 -37.35 75.08 Favored 'General case' 0 C--N 1.375 1.676 0 C-N-CA 130.462 3.505 . . . . 0.0 110.408 173.076 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -63.05 -36.6 84.11 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 170.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.08 -32.63 67.22 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 125.91 1.684 . . . . 0.0 112.986 170.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 m -68.42 -42.12 79.41 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 128.022 2.529 . . . . 0.0 112.217 172.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.4 29.2 m -70.37 -30.58 43.64 Favored 'Isoleucine or valine' 0 C--N 1.385 2.152 0 O-C-N 119.637 -1.914 . . . . 0.0 112.181 169.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -70.07 -35.44 74.22 Favored 'General case' 0 C--N 1.378 1.839 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 170.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . 0.447 8.4 p30 -70.43 -34.31 72.33 Favored 'General case' 0 C--N 1.369 1.447 0 O-C-N 120.196 -1.565 . . . . 0.0 113.728 170.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.68 -40.4 95.34 Favored 'General case' 0 C--N 1.376 1.739 0 C-N-CA 125.45 1.5 . . . . 0.0 113.218 168.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -84.61 -24.14 29.26 Favored 'General case' 0 C--N 1.376 1.727 0 CA-C-N 119.949 1.249 . . . . 0.0 114.298 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 t -78.75 -32.84 46.82 Favored 'General case' 0 C--N 1.374 1.672 0 CA-C-N 120.087 1.312 . . . . 0.0 111.131 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -70.01 97.18 1.12 Allowed 'General case' 0 C--N 1.364 1.232 0 C-N-CA 126.446 1.899 . . . . 0.0 114.479 -178.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.336 6.0 pt20 -40.65 -43.05 3.85 Favored Pre-proline 0 C--N 1.362 1.143 0 N-CA-C 120.778 3.621 . . . . 0.0 120.778 -177.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -66.12 -28.34 48.77 Favored 'Trans proline' 0 CA--C 1.549 1.251 0 C-N-CA 124.567 3.512 . . . . 0.0 116.567 168.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.548 ' HG ' HH11 ' A' ' 85' ' ' ARG . 4.3 tt -79.41 -37.76 36.4 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 125.705 1.602 . . . . 0.0 113.947 -170.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.6 ptm -63.97 -28.5 69.86 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 128.5 2.72 . . . . 0.0 114.823 176.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -85.94 -12.39 50.65 Favored 'General case' 0 C--N 1.361 1.098 0 C-N-CA 126.34 1.856 . . . . 0.0 112.08 173.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 18.9 tpp -102.63 -27.8 12.52 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 127.657 2.383 . . . . 0.0 115.781 -176.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . 0.252 0.6 OUTLIER -121.54 145.59 27.9 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 -177.324 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -102.76 -11.63 18.2 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 119.706 -1.871 . . . . 0.0 112.073 173.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.442 ' HB2' ' HB2' ' A' ' 43' ' ' TYR 0.649 32.9 mm-40 -136.36 40.17 2.65 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 120.367 3.469 . . . . 0.0 120.367 -152.668 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.6 p -86.6 108.79 18.19 Favored 'Isoleucine or valine' 0 C--N 1.373 1.618 0 CA-C-O 125.607 2.622 . . . . 0.0 108.222 177.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.6 t -146.04 170.91 15.71 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 110.884 -2.871 . . . . 0.0 108.822 -170.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.51 5.4 10.63 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 126.734 2.014 . . . . 0.0 109.565 177.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.2 m -120.43 153.75 56.3 Favored Pre-proline 0 C--N 1.36 1.04 0 C-N-CA 125.827 1.651 . . . . 0.0 107.977 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -63.88 165.14 19.56 Favored 'Trans proline' 0 C--N 1.371 1.712 1 C-N-CA 126.579 4.853 . . . . 0.0 119.069 -174.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.47 49.55 0.04 OUTLIER Glycine 0 C--N 1.377 2.845 0 CA-C-O 121.381 0.434 . . . . 0.0 113.576 -175.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.644 ' H ' ' HD2' ' A' ' 37' ' ' LYS . 2.2 mptt -62.1 -17.24 57.01 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 129.518 3.127 . . . . 0.0 116.375 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -94.92 -2.74 49.97 Favored 'General case' 0 N--CA 1.441 -0.892 1 C-N-CA 132.853 4.461 . . . . 0.0 113.125 179.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -90.11 167.1 17.78 Favored Pre-proline 0 C--N 1.366 1.286 0 C-N-CA 125.361 1.464 . . . . 0.0 109.996 176.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -68.37 143.34 57.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 C-N-CA 124.086 3.191 . . . . 0.0 115.154 -176.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -97.86 141.72 23.43 Favored Pre-proline 0 C--N 1.361 1.107 0 C-N-CA 126.859 2.063 . . . . 0.0 109.092 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -81.25 149.41 75.33 Favored 'Cis proline' 0 C--N 1.359 1.121 0 CA-C-N 122.848 2.053 . . . . 0.0 112.846 0.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.442 ' HB2' ' HB2' ' A' ' 30' ' ' GLN . 6.3 p90 -156.29 167.25 31.02 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 124.976 1.31 . . . . 0.0 113.032 -176.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.8 p -135.28 137.89 49.4 Favored 'Isoleucine or valine' 0 C--N 1.402 2.884 0 CA-C-O 125.971 2.796 . . . . 0.0 118.112 -175.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.412 ' HB ' ' CH2' ' A' ' 71' ' ' TRP . 1.0 OUTLIER -117.05 130.77 71.42 Favored 'Isoleucine or valine' 0 C--N 1.362 1.147 0 C-N-CA 128.536 2.735 . . . . 0.0 109.196 173.208 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.3 mt -108.52 136.56 43.79 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 C-N-CA 125.566 1.546 . . . . 0.0 107.833 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -167.07 -133.06 1.47 Allowed Glycine 0 C--N 1.353 1.519 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -146.34 162.71 37.56 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 126.27 1.828 . . . . 0.0 106.477 176.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.366 1.283 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 171.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.7 m120 . . . . . 0 C--O 1.235 0.303 0 N-CA-C 102.643 -3.095 . . . . 0.0 102.643 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.403 ' HB ' ' HB2' ' A' ' 7' ' ' SER . 1.6 tp -142.72 122.48 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 N-CA-C 102.009 -3.33 . . . . 0.0 102.009 -174.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.7 m -113.73 135.91 53.42 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 125.207 1.403 . . . . 0.0 107.522 -177.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 mtp -131.53 152.12 51.01 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 125.786 1.634 . . . . 0.0 109.405 -178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -147.8 139.74 24.1 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 170.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -111.19 129.4 55.96 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 104.09 -2.559 . . . . 0.0 104.09 173.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -121.66 118.63 29.64 Favored 'General case' 0 CA--C 1.493 -1.244 0 N-CA-C 104.818 -2.29 . . . . 0.0 104.818 176.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -122.41 134.43 65.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 -174.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.412 ' CH2' ' HB ' ' A' ' 45' ' ' VAL . 2.8 m-90 -123.84 114.72 20.24 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 119.341 -0.944 . . . . 0.0 108.562 176.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.01 173.69 15.05 Favored Glycine 0 C--N 1.359 1.819 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 175.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -139.61 145.84 17.12 Favored Glycine 0 C--N 1.348 1.219 0 N-CA-C 106.124 -2.791 . . . . 0.0 106.124 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.287 87.1 m 143.89 -70.92 0.0 OUTLIER 'General case' 0 C--N 1.354 0.779 0 C-N-CA 130.281 3.433 . . . . 0.0 107.149 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.1 m -162.34 170.46 18.85 Favored 'General case' 0 C--N 1.362 1.131 0 O-C-N 119.354 -2.091 . . . . 0.0 106.337 -178.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -55.38 -34.82 64.67 Favored 'General case' 0 C--N 1.366 1.308 1 C-N-CA 132.552 4.341 . . . . 0.0 114.323 173.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.76 -35.32 61.15 Favored 'General case' 0 C--N 1.372 1.565 0 C-N-CA 130.114 3.366 . . . . 0.0 114.149 175.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -58.45 -32.24 68.53 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 129.351 3.06 . . . . 0.0 114.012 173.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.05 -30.75 71.85 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 126.618 1.967 . . . . 0.0 114.123 175.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -74.24 -43.01 58.76 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 128.58 2.752 . . . . 0.0 111.182 174.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -67.34 -48.22 68.14 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 129.112 2.965 . . . . 0.0 115.583 174.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.7 pt -69.68 -38.36 76.13 Favored 'Isoleucine or valine' 0 C--N 1.374 1.657 0 C-N-CA 125.875 1.67 . . . . 0.0 112.97 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.6 m -66.19 -38.43 88.0 Favored 'General case' 0 C--N 1.378 1.811 0 C-N-CA 125.202 1.401 . . . . 0.0 111.384 173.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.5 m -61.59 -45.71 92.97 Favored 'General case' 0 C--N 1.377 1.777 0 C-N-CA 127.036 2.134 . . . . 0.0 113.634 172.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.548 HH11 ' HG ' ' A' ' 24' ' ' LEU 0.321 33.6 ptt85 -65.88 -46.08 79.72 Favored 'General case' 0 C--N 1.379 1.864 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 174.71 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.271 33.3 m -61.64 -38.68 80.86 Favored 'Isoleucine or valine' 0 C--N 1.385 2.115 0 CA-C-N 120.773 1.624 . . . . 0.0 114.657 174.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.55 -46.61 59.02 Favored 'General case' 0 C--N 1.373 1.598 0 C-N-CA 129.256 3.022 . . . . 0.0 113.916 174.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -66.64 -33.66 76.14 Favored 'General case' 0 C--N 1.376 1.725 0 O-C-N 119.749 -1.844 . . . . 0.0 113.951 174.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.23 -49.6 69.05 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 126.306 1.842 . . . . 0.0 111.088 168.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.258 3.4 tt -49.77 -41.44 44.18 Favored 'General case' 0 C--N 1.373 1.602 0 C-N-CA 128.832 2.853 . . . . 0.0 116.184 177.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.355 0.2 OUTLIER -104.71 9.39 35.09 Favored 'General case' 0 C--N 1.365 1.246 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 170.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.28 -52.05 11.79 Favored 'General case' 0 C--N 1.367 1.367 0 O-C-N 119.713 -1.867 . . . . 0.0 106.938 176.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.31 0.0 OUTLIER -121.5 104.44 40.01 Favored Pre-proline 0 C--N 1.352 0.682 0 N-CA-C 103.734 -2.691 . . . . 0.0 103.734 171.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.17 156.94 51.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 123.547 2.831 . . . . 0.0 114.326 -167.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.0 mt -67.52 108.41 2.83 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 127.618 2.367 . . . . 0.0 114.936 -174.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 52.4 ttm -144.3 140.57 29.25 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 120.666 -1.271 . . . . 0.0 112.254 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -135.17 108.37 7.73 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 175.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 66.87 18.1 10.6 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 129.961 3.305 . . . . 0.0 115.817 173.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 102.67 -5.78 51.59 Favored Glycine 0 C--N 1.351 1.402 0 C-N-CA 125.698 1.618 . . . . 0.0 111.141 -171.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -87.49 129.43 35.07 Favored 'General case' 0 C--N 1.367 1.367 0 O-C-N 120.638 -1.507 . . . . 0.0 108.625 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.4 p -102.86 150.06 23.88 Favored 'General case' 0 C--N 1.363 1.157 0 CA-C-O 123.557 1.646 . . . . 0.0 112.91 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 10' ' ' LEU . 13.1 m-85 -122.82 115.62 22.32 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 101.378 -3.564 . . . . 0.0 101.378 177.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 81.5 t -106.45 128.11 61.27 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.73 0 C-N-CA 130.008 3.323 . . . . 0.0 105.967 -171.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.21 137.57 35.86 Favored 'General case' 0 C--N 1.363 1.17 0 N-CA-C 116.979 2.214 . . . . 0.0 116.979 -170.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt . . . . . 0 C--N 1.355 0.836 0 C-N-CA 127.232 2.213 . . . . 0.0 107.148 175.475 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 110.839 -0.06 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -108.48 118.78 5.46 Favored Glycine 0 C--N 1.355 1.638 0 N-CA-C 108.351 -1.9 . . . . 0.0 108.351 162.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.73 112.36 39.39 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 N-CA-C 101.209 -3.626 . . . . 0.0 101.209 172.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.6 mp -117.55 113.7 43.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 C-N-CA 126.429 1.892 . . . . 0.0 107.113 -175.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -105.86 138.77 41.49 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 124.802 1.241 . . . . 0.0 111.109 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 1.6 m -144.67 150.08 16.62 Favored 'Isoleucine or valine' 0 C--N 1.361 1.084 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 175.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -117.67 140.23 49.94 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -126.58 150.58 48.77 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 105.642 -1.984 . . . . 0.0 105.642 -178.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 95.8 m -127.63 143.3 51.17 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.9 pt . . . . . 0 C--N 1.361 1.105 0 C-N-CA 130.714 3.606 . . . . 0.0 113.864 -173.785 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 121.108 0.48 . . . . 0.0 111.4 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.9 -33.75 69.08 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 128.063 2.545 . . . . 0.0 114.355 173.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.7 m -62.44 -46.68 87.43 Favored 'General case' 0 C--N 1.373 1.615 0 CA-C-O 123.583 1.658 . . . . 0.0 113.304 172.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.619 15.3 ptp180 -74.12 -38.04 63.92 Favored 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 130.043 3.337 . . . . 0.0 116.528 171.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.2 -23.88 64.35 Favored 'General case' 0 C--N 1.371 1.521 0 O-C-N 116.444 -3.91 . . . . 0.0 112.793 167.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.472 HD21 ' CG ' ' A' ' 102' ' ' PHE 0.258 0.5 OUTLIER -65.76 -29.14 69.6 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 127.2 2.2 . . . . 0.0 111.76 163.288 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.408 2.2 pp0? -66.04 -38.05 87.39 Favored 'General case' 0 C--N 1.383 2.033 0 CA-C-N 122.702 2.501 . . . . 0.0 111.755 170.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.336 0.0 OUTLIER -67.4 -29.67 69.24 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 165.822 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.65 -41.62 71.89 Favored 'General case' 0 C--N 1.361 1.095 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 171.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -69.59 -30.35 68.09 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 127.264 2.226 . . . . 0.0 111.484 172.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.12 -35.32 52.92 Favored 'Isoleucine or valine' 0 C--N 1.371 1.54 0 O-C-N 119.657 -1.902 . . . . 0.0 112.385 167.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -70.33 -30.32 67.26 Favored 'General case' 0 C--N 1.367 1.336 0 CA-C-O 122.926 1.346 . . . . 0.0 112.397 174.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -43.91 97.8 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 128.565 2.746 . . . . 0.0 112.77 167.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 mp -59.76 -38.77 82.73 Favored 'General case' 0 C--N 1.376 1.729 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 168.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -27.02 64.48 Favored 'General case' 0 C--N 1.369 1.451 0 C-N-CA 127.579 2.352 . . . . 0.0 113.792 171.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 t -76.92 -35.01 57.64 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 125.922 1.689 . . . . 0.0 112.435 176.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -72.49 94.64 1.69 Allowed 'General case' 0 C--N 1.364 1.197 0 CA-C-O 123.069 1.414 . . . . 0.0 113.734 178.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.394 6.1 pt20 -40.62 -49.37 7.16 Favored Pre-proline 0 C--N 1.366 1.284 0 N-CA-C 120.789 3.625 . . . . 0.0 120.789 -173.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -65.95 -20.51 57.7 Favored 'Trans proline' 0 CA--C 1.551 1.326 0 CA-C-N 127.961 3.879 . . . . 0.0 116.212 169.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.38 -33.04 49.12 Favored 'General case' 0 C--N 1.371 1.509 0 CA-C-N 122.172 2.26 . . . . 0.0 112.026 -175.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 59.7 mmm -57.12 -27.55 61.92 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 130.872 3.669 . . . . 0.0 114.964 167.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -82.75 -32.67 27.73 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 126.35 1.86 . . . . 0.0 112.518 172.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 61.0 mtt -81.65 -41.13 21.87 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 126.253 1.821 . . . . 0.0 113.497 177.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.91 143.56 35.41 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 N-CA-C 103.309 -2.849 . . . . 0.0 103.309 172.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -101.82 -34.97 9.21 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 129.041 2.936 . . . . 0.0 111.565 174.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -97.33 37.96 1.3 Allowed 'General case' 0 N--CA 1.436 -1.172 1 C-N-CA 137.176 6.19 . . . . 0.0 112.986 -166.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 p -88.17 108.36 18.53 Favored 'Isoleucine or valine' 0 C--N 1.368 1.379 0 CA-C-O 123.781 1.753 . . . . 0.0 107.676 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.6 t -140.48 154.38 46.58 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 113.822 -1.536 . . . . 0.0 112.311 -168.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.65 43.06 0.81 Allowed 'General case' 0 C--N 1.356 0.873 0 C-N-CA 128.261 2.625 . . . . 0.0 115.401 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.411 63.9 m 118.74 -71.11 0.0 OUTLIER Pre-proline 0 C--N 1.358 0.939 0 C-N-CA 129.403 3.081 . . . . 0.0 112.944 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -72.67 138.26 28.89 Favored 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 124.212 3.274 . . . . 0.0 114.026 -173.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 128.61 -12.07 6.28 Favored Glycine 0 C--N 1.358 1.786 0 CA-C-O 123.062 1.368 . . . . 0.0 109.726 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -13.99 24.72 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 130.924 3.689 . . . . 0.0 116.568 -177.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -91.49 -1.66 57.47 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 127.886 2.475 . . . . 0.0 111.774 176.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -95.01 160.57 30.66 Favored Pre-proline 0 C--N 1.362 1.128 0 O-C-N 120.538 -1.351 . . . . 0.0 109.01 175.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -77.98 162.82 28.9 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 124.084 3.189 . . . . 0.0 115.284 -174.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -76.17 160.42 78.13 Favored Pre-proline 0 CA--C 1.56 1.358 0 C-N-CA 129.056 2.942 . . . . 0.0 113.634 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -77.38 146.84 83.74 Favored 'Cis proline' 0 C--N 1.362 1.251 0 CA-C-N 122.037 1.763 . . . . 0.0 112.426 -0.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.428 ' CE1' ' CZ3' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -172.81 168.91 4.98 Favored 'General case' 0 CA--C 1.558 1.261 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 -171.405 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.3 t -137.26 130.04 43.48 Favored 'Isoleucine or valine' 0 C--N 1.392 2.426 0 CA-C-O 123.361 1.553 . . . . 0.0 111.897 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.0 m -121.3 146.04 26.93 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 O-C-N 120.543 -1.348 . . . . 0.0 110.278 170.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.2 mm -88.52 140.16 16.24 Favored 'Isoleucine or valine' 0 C--N 1.367 1.338 0 C-N-CA 125.928 1.691 . . . . 0.0 109.217 169.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -143.59 -150.56 5.3 Favored Glycine 0 C--N 1.352 1.417 0 N-CA-C 107.306 -2.318 . . . . 0.0 107.306 168.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -146.21 132.87 19.89 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 100.808 -3.775 . . . . 0.0 100.808 175.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? . . . . . 0 C--N 1.356 0.849 0 CA-C-N 120.3 1.409 . . . . 0.0 107.436 -175.536 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 122.361 1.077 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 mp -112.25 130.21 66.36 Favored 'Isoleucine or valine' 0 C--N 1.361 1.069 0 C-N-CA 130.418 3.487 . . . . 0.0 102.825 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 t -131.04 136.43 48.45 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 101.41 -3.552 . . . . 0.0 101.41 172.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 37.2 ttm -147.66 145.79 29.06 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 124.483 1.113 . . . . 0.0 108.519 -171.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.67 146.48 41.66 Favored 'General case' 0 CA--C 1.492 -1.284 0 CA-C-O 123.226 1.489 . . . . 0.0 108.334 175.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.358 0.0 OUTLIER -129.44 136.75 50.32 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 103.657 -2.72 . . . . 0.0 103.657 174.173 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.403 ' CE1' HD13 ' A' ' 124' ' ' ILE . 44.8 m-70 -111.7 117.79 33.84 Favored 'General case' 0 C--N 1.357 0.917 1 N-CA-C 98.952 -4.462 . . . . 0.0 98.952 -175.56 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.4 t -122.57 111.29 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.166 0 N-CA-C 103.247 -2.872 . . . . 0.0 103.247 -167.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.428 ' CZ3' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -130.75 138.49 49.99 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 117.562 -1.655 . . . . 0.0 108.897 -173.859 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -147.49 166.63 28.65 Favored Glycine 0 CA--C 1.485 -1.824 0 CA-C-O 123.115 1.397 . . . . 0.0 113.036 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -174.5 112.13 0.39 Allowed Glycine 0 CA--C 1.49 -1.515 0 N-CA-C 104.064 -3.614 . . . . 0.0 104.064 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.2 m -167.75 -51.02 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 -175.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 m -143.57 155.54 44.32 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 102.803 -3.036 . . . . 0.0 102.803 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -62.84 -35.66 80.67 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 129.079 2.951 . . . . 0.0 115.775 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.04 -35.43 64.33 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 130.703 3.601 . . . . 0.0 113.174 176.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.269 21.8 tt0 -58.66 -36.42 74.11 Favored 'General case' 0 C--N 1.366 1.308 0 N-CA-C 117.664 2.468 . . . . 0.0 117.664 -174.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.32 92.87 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 126.7 2.0 . . . . 0.0 114.186 173.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -77.12 -32.16 56.28 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 128.268 2.627 . . . . 0.0 110.591 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -66.93 -50.05 63.59 Favored 'General case' 0 C--N 1.371 1.513 0 C-N-CA 125.86 1.664 . . . . 0.0 112.398 169.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.269 17.8 pt -58.3 -38.18 67.49 Favored 'Isoleucine or valine' 0 C--N 1.38 1.9 0 CA-C-N 121.438 1.926 . . . . 0.0 113.782 174.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.1 m -65.25 -49.84 68.07 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 127.409 2.284 . . . . 0.0 114.63 174.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.2 m -70.54 -35.97 73.44 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 128.405 2.682 . . . . 0.0 113.258 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 84.7 mmt-85 -76.17 -33.46 59.34 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 127.726 2.41 . . . . 0.0 111.931 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.56 -47.59 88.47 Favored 'Isoleucine or valine' 0 C--N 1.384 2.085 0 C-N-CA 126.286 1.834 . . . . 0.0 110.634 168.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.08 -50.04 73.56 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 128.175 2.59 . . . . 0.0 114.819 176.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.07 -38.2 82.14 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 128.116 2.567 . . . . 0.0 111.405 172.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.45 98.87 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 126.058 1.743 . . . . 0.0 113.88 168.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 39.8 mt -57.12 -29.63 63.71 Favored 'General case' 0 C--N 1.389 2.324 0 C-N-CA 127.393 2.277 . . . . 0.0 114.252 174.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 1.014 0.2 OUTLIER -115.78 10.96 15.5 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 119.858 3.281 . . . . 0.0 119.858 168.432 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.46 -49.72 11.03 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 126.401 1.88 . . . . 0.0 107.464 170.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -108.69 148.92 38.74 Favored Pre-proline 0 C--N 1.358 0.969 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -79.19 159.21 26.62 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 124.64 3.56 . . . . 0.0 111.579 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.78 107.45 19.93 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 3.8 mtp -143.83 141.04 30.15 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.436 1.494 . . . . 0.0 110.863 -174.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -131.57 107.56 8.94 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 103.407 -2.812 . . . . 0.0 103.407 173.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 73.52 25.27 2.13 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 130.003 3.321 . . . . 0.0 114.577 175.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.31 2.88 61.79 Favored Glycine 0 C--N 1.36 1.892 0 C-N-CA 125.708 1.623 . . . . 0.0 113.382 -177.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -100.09 124.63 45.7 Favored 'General case' 0 C--N 1.36 1.039 0 CA-C-N 117.58 0.69 . . . . 0.0 109.703 -176.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 m -98.13 139.13 34.39 Favored 'General case' 0 C--N 1.373 1.598 0 C-N-CA 124.602 1.161 . . . . 0.0 113.991 -173.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.472 ' CG ' HD21 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -127.48 144.95 50.99 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 -179.35 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -106.0 124.24 61.1 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 C-N-CA 124.164 0.986 . . . . 0.0 109.734 -171.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.17 137.98 35.87 Favored 'General case' 0 C--N 1.362 1.115 0 C-N-CA 126.845 2.058 . . . . 0.0 113.326 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt . . . . . 0 C--N 1.353 0.738 0 N-CA-C 105.74 -1.948 . . . . 0.0 105.74 177.588 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 . . . . . 0 N--CA 1.436 -1.165 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.75 137.36 9.37 Favored Glycine 0 C--N 1.351 1.372 0 N-CA-C 108.68 -1.768 . . . . 0.0 108.68 176.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.403 HD13 ' CE1' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -111.29 122.87 66.53 Favored 'Isoleucine or valine' 0 C--N 1.361 1.081 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 175.841 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.3 mt -113.89 116.29 52.17 Favored 'Isoleucine or valine' 0 C--N 1.362 1.136 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 -177.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -108.63 140.22 42.31 Favored 'General case' 0 CA--C 1.488 -1.404 0 C-N-CA 125.615 1.566 . . . . 0.0 107.71 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . 0.281 3.5 p -141.94 144.57 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 0 CA-C-N 113.969 -1.469 . . . . 0.0 107.36 171.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -117.47 139.73 50.53 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 127.839 2.456 . . . . 0.0 104.473 178.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -131.9 140.46 49.07 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 103.988 -2.597 . . . . 0.0 103.988 -176.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 62.5 m -128.48 143.12 50.93 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 -176.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.2 pt . . . . . 0 C--N 1.354 0.801 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 176.105 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.0 tp . . . . . 0 CA--C 1.531 0.241 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.71 -36.27 82.1 Favored 'General case' 0 C--N 1.374 1.637 0 C-N-CA 125.385 1.474 . . . . 0.0 114.486 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.9 m -58.51 -47.2 84.92 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 127.541 2.336 . . . . 0.0 114.303 175.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.527 71.9 ttt180 -73.73 -37.88 64.97 Favored 'General case' 0 C--O 1.249 1.056 0 C-N-CA 127.591 2.356 . . . . 0.0 116.396 172.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.82 -23.77 54.22 Favored 'General case' 0 CA--C 1.557 1.238 0 O-C-N 118.743 -2.473 . . . . 0.0 114.495 168.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.531 HD21 ' CD1' ' A' ' 102' ' ' PHE 0.452 0.0 OUTLIER -63.42 -28.36 69.93 Favored 'General case' 0 C--N 1.376 1.76 0 O-C-N 119.267 -2.146 . . . . 0.0 114.707 164.04 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -69.71 -41.04 75.9 Favored 'General case' 0 C--N 1.377 1.781 0 C-N-CA 126.524 1.93 . . . . 0.0 109.502 175.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.321 0.0 OUTLIER -67.44 -29.89 69.48 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 166.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.01 -36.74 69.79 Favored 'General case' 0 C--N 1.365 1.279 0 O-C-N 119.833 -1.792 . . . . 0.0 112.749 172.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.314 6.8 m -70.39 -36.9 74.38 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 126.737 2.015 . . . . 0.0 111.455 174.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.07 -31.67 54.72 Favored 'Isoleucine or valine' 0 C--N 1.374 1.656 0 C-N-CA 125.517 1.527 . . . . 0.0 113.103 169.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -70.92 -30.21 66.48 Favored 'General case' 0 C--N 1.37 1.496 0 C-N-CA 124.488 1.115 . . . . 0.0 113.833 171.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -66.53 -43.59 84.77 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 126.402 1.881 . . . . 0.0 111.395 170.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.3 mt -59.18 -40.73 86.59 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 125.265 1.426 . . . . 0.0 114.459 170.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -24.29 57.05 Favored 'General case' 0 C--N 1.369 1.422 0 C-N-CA 124.391 1.076 . . . . 0.0 113.164 173.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -81.9 -20.98 37.67 Favored 'General case' 0 C--N 1.37 1.481 0 C-N-CA 125.346 1.458 . . . . 0.0 114.757 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -83.61 103.91 13.31 Favored 'General case' 0 C--N 1.366 1.313 0 CA-C-N 120.33 1.423 . . . . 0.0 114.793 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.422 6.7 pm0 -41.03 -49.86 7.9 Favored Pre-proline 0 C--N 1.372 1.552 0 N-CA-C 119.161 3.023 . . . . 0.0 119.161 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.99 -26.56 50.98 Favored 'Trans proline' 0 CA--C 1.545 1.036 0 C-N-CA 125.002 3.801 . . . . 0.0 115.564 170.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.91 -40.7 18.24 Favored 'General case' 0 C--N 1.369 1.433 0 CA-C-N 120.918 1.69 . . . . 0.0 111.567 -176.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . 0.276 0.1 OUTLIER -64.81 -27.79 69.12 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 126.229 1.812 . . . . 0.0 113.655 169.094 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -74.79 -21.88 59.06 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 125.116 1.366 . . . . 0.0 113.04 169.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -102.33 -18.63 15.34 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 127.038 2.135 . . . . 0.0 116.225 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.4 m -121.62 145.07 28.81 Favored 'Isoleucine or valine' 0 C--N 1.371 1.506 0 O-C-N 119.116 -2.24 . . . . 0.0 105.886 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -102.69 -12.0 17.99 Favored 'General case' 0 C--N 1.362 1.133 0 O-C-N 119.477 -2.015 . . . . 0.0 112.986 177.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.406 ' HB3' ' CB ' ' A' ' 43' ' ' TYR 0.644 3.2 tp-100 -136.77 39.45 2.59 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 129.824 3.25 . . . . 0.0 118.132 -161.615 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.8 p -85.44 109.25 18.08 Favored 'Isoleucine or valine' 0 C--N 1.366 1.319 0 CA-C-O 125.121 2.391 . . . . 0.0 107.808 176.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.5 t -146.43 168.87 20.11 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 111.871 -2.422 . . . . 0.0 111.464 -171.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -108.39 -11.37 15.19 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 127.188 2.195 . . . . 0.0 113.245 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.274 5.9 m -176.15 -71.02 0.0 OUTLIER Pre-proline 0 C--N 1.357 0.893 0 CA-C-O 116.454 -1.736 . . . . 0.0 108.831 179.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.81 136.27 27.43 Favored 'Trans proline' 0 C--N 1.362 1.278 0 CA-C-N 126.09 3.211 . . . . 0.0 110.984 -178.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.29 -18.83 41.31 Favored Glycine 0 C--N 1.35 1.334 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 -171.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.333 0.0 OUTLIER -49.94 -15.12 0.17 Allowed 'General case' 0 C--N 1.361 1.092 0 N-CA-C 120.336 3.458 . . . . 0.0 120.336 -178.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -106.12 11.47 31.35 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 128.085 2.554 . . . . 0.0 113.007 175.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.58 144.98 28.77 Favored Pre-proline 0 C--N 1.366 1.305 0 C-N-CA 125.509 1.523 . . . . 0.0 110.778 178.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.12 162.64 40.93 Favored 'Trans proline' 0 C--N 1.362 1.253 0 C-N-CA 125.2 3.933 . . . . 0.0 119.969 -163.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -70.22 140.05 87.72 Favored Pre-proline 0 C--N 1.362 1.15 1 C-N-CA 132.829 4.452 . . . . 0.0 116.379 -176.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -78.79 147.45 81.09 Favored 'Cis proline' 0 C--N 1.371 1.724 0 CA-C-N 120.989 1.389 . . . . 0.0 115.58 4.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.406 ' CB ' ' HB3' ' A' ' 30' ' ' GLN 0.26 16.7 p90 -166.72 168.87 13.96 Favored 'General case' 0 C--N 1.37 1.465 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -177.159 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.6 t -136.18 124.65 36.81 Favored 'Isoleucine or valine' 0 C--N 1.401 2.846 0 CA-C-O 123.225 1.488 . . . . 0.0 112.006 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.1 m -116.67 139.85 41.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 120.82 -1.175 . . . . 0.0 110.619 175.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.3 mm -75.51 140.41 17.42 Favored 'Isoleucine or valine' 0 C--N 1.375 1.699 0 C-N-CA 127.754 2.422 . . . . 0.0 109.191 169.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.51 -166.29 23.19 Favored Glycine 0 CA--C 1.488 -1.656 0 N-CA-C 108.565 -1.814 . . . . 0.0 108.565 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -145.69 121.21 10.38 Favored 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 105.844 -1.91 . . . . 0.0 105.844 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.353 0.753 0 C-N-CA 126.058 1.743 . . . . 0.0 106.79 -177.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 . . . . . 0 N--CA 1.443 -0.816 0 CA-C-O 124.039 1.876 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -111.01 121.65 64.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 C-N-CA 129.58 3.152 . . . . 0.0 103.162 -177.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.4 p -111.15 126.52 54.93 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.784 1.634 . . . . 0.0 108.035 177.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.9 ptt? -142.48 142.56 32.31 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-N 120.825 1.648 . . . . 0.0 113.3 177.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.48 154.25 38.07 Favored 'General case' 0 C--N 1.367 1.344 0 CA-C-O 124.66 2.171 . . . . 0.0 108.438 174.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.62 141.01 39.14 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 102.355 -3.202 . . . . 0.0 102.355 171.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -113.45 124.61 52.82 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 102.32 -3.215 . . . . 0.0 102.32 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -124.71 112.96 34.01 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.143 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 -168.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.99 130.26 35.47 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 117.143 -1.823 . . . . 0.0 110.981 -174.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -122.72 60.01 0.58 Allowed Glycine 0 C--N 1.369 2.382 0 N-CA-C 115.566 0.986 . . . . 0.0 115.566 -170.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -75.25 90.89 0.82 Allowed Glycine 0 C--N 1.355 1.638 0 C-N-CA 126.199 1.856 . . . . 0.0 113.309 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.6 m -169.31 -45.57 0.02 OUTLIER 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.9 m -160.42 151.16 18.64 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 102.821 -3.029 . . . . 0.0 102.821 175.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -62.38 -35.68 79.93 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.689 1.996 . . . . 0.0 115.545 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.75 -35.67 76.98 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 128.965 2.906 . . . . 0.0 115.127 174.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -62.09 -33.5 74.56 Favored 'General case' 0 C--N 1.369 1.438 0 C-N-CA 127.428 2.291 . . . . 0.0 114.207 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.11 -34.73 78.72 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 129.295 3.038 . . . . 0.0 114.31 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -77.7 -38.45 47.37 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 127.519 2.327 . . . . 0.0 111.421 175.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -66.69 -46.37 75.82 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 126.589 1.956 . . . . 0.0 111.882 172.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 23.9 pt -70.34 -39.27 76.39 Favored 'Isoleucine or valine' 0 C--N 1.369 1.456 0 O-C-N 119.881 -1.762 . . . . 0.0 114.164 175.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.6 p -68.67 -49.91 55.28 Favored 'General case' 0 C--N 1.372 1.57 0 CA-C-N 120.937 1.698 . . . . 0.0 114.519 175.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.2 m -61.29 -46.81 88.77 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 127.043 2.137 . . . . 0.0 114.085 175.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . 0.251 10.1 mpt_? -74.66 -29.47 61.26 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 124.349 1.06 . . . . 0.0 112.574 176.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.375 1.5 p -68.58 -44.88 82.46 Favored 'Isoleucine or valine' 0 C--N 1.385 2.113 0 CA-C-N 121.738 2.063 . . . . 0.0 113.813 173.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.7 mp -66.79 -37.96 85.59 Favored 'General case' 0 C--N 1.379 1.869 0 O-C-N 119.116 -2.24 . . . . 0.0 112.455 174.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -61.65 -34.78 76.3 Favored 'General case' 0 C--N 1.378 1.812 0 CA-C-O 116.674 -1.631 . . . . 0.0 112.715 171.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.77 -46.03 73.21 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 127.826 2.45 . . . . 0.0 113.483 171.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 mp -48.4 -48.01 37.3 Favored 'General case' 0 C--N 1.39 2.348 0 C-N-CA 128.305 2.642 . . . . 0.0 114.018 176.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.789 0.2 OUTLIER -106.07 11.61 31.28 Favored 'General case' 0 C--N 1.368 1.397 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 174.243 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -44.15 21.79 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 119.666 -1.897 . . . . 0.0 108.197 174.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.15 107.32 47.84 Favored Pre-proline 0 C--N 1.356 0.872 0 N-CA-C 100.207 -3.998 . . . . 0.0 100.207 175.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.7 163.39 35.89 Favored 'Trans proline' 0 C--N 1.37 1.688 1 C-N-CA 125.565 4.177 . . . . 0.0 114.537 -166.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.1 mt -80.58 106.87 12.91 Favored 'General case' 0 C--N 1.37 1.49 0 CA-C-O 124.277 1.989 . . . . 0.0 114.744 -170.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 47.2 ttm -145.32 143.06 29.96 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 111.643 -2.526 . . . . 0.0 109.642 -179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -134.84 110.06 8.93 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 172.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 60.72 34.22 19.99 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 130.547 3.539 . . . . 0.0 115.972 173.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 94.24 -6.82 72.24 Favored Glycine 0 C--N 1.351 1.387 0 C-N-CA 125.885 1.707 . . . . 0.0 112.858 -173.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -95.68 124.14 39.56 Favored 'General case' 0 C--N 1.366 1.311 0 CA-C-N 119.572 1.686 . . . . 0.0 108.555 -177.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.6 p -95.42 148.75 22.14 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 127.867 2.467 . . . . 0.0 112.04 -175.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.531 ' CD1' HD21 ' A' ' 10' ' ' LEU 0.252 0.1 OUTLIER -136.12 146.72 47.26 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 178.246 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -106.93 121.88 60.29 Favored 'Isoleucine or valine' 0 C--N 1.358 0.961 0 C-N-CA 124.964 1.305 . . . . 0.0 111.013 -173.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.33 129.36 34.45 Favored 'General case' 0 C--N 1.372 1.562 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -176.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp . . . . . 0 C--N 1.354 0.799 0 C-N-CA 125.043 1.337 . . . . 0.0 108.3 -173.781 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 . . . . . 0 CA--C 1.507 -0.708 0 N-CA-C 105.071 -2.196 . . . . 0.0 105.071 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.81 141.63 12.97 Favored Glycine 0 C--N 1.357 1.703 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 176.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.55 114.35 46.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 1 N-CA-C 100.074 -4.047 . . . . 0.0 100.074 166.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.5 mt -118.51 122.04 68.53 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 C-N-CA 124.104 0.962 . . . . 0.0 108.968 -172.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -114.78 140.02 49.25 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 124.75 1.22 . . . . 0.0 107.759 175.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.2 t -133.01 156.58 42.38 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 N-CA-C 103.921 -2.622 . . . . 0.0 103.921 169.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . 0.415 42.1 ptt85 -135.11 141.02 45.91 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 125.53 1.532 . . . . 0.0 114.19 173.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.23 139.27 54.08 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 125.426 1.49 . . . . 0.0 108.353 -172.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 54.5 m -115.61 128.98 56.33 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 122.547 1.165 . . . . 0.0 109.439 -177.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.5 pt . . . . . 0 C--N 1.359 1.006 0 N-CA-C 104.597 -2.371 . . . . 0.0 104.597 174.308 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 pt? . . . . . 0 CA--C 1.502 -0.903 0 N-CA-C 119.995 3.331 . . . . 0.0 119.995 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.49 -51.04 39.61 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 120.956 1.707 . . . . 0.0 112.455 173.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 1.3 p -55.41 -47.11 76.44 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 128.742 2.817 . . . . 0.0 118.067 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.729 6.9 ptp180 -75.42 -37.22 60.56 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 119.38 3.104 . . . . 0.0 119.38 167.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.299 . . -59.07 -22.44 60.78 Favored 'General case' 0 C--N 1.368 1.39 0 O-C-N 118.983 -2.323 . . . . 0.0 114.61 175.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.415 ' HB3' ' O ' ' A' ' 7' ' ' SER 0.361 0.9 OUTLIER -55.07 -40.89 70.84 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 130.354 3.462 . . . . 0.0 114.124 161.726 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.333 5.3 mm-40 -70.55 -37.83 74.09 Favored 'General case' 0 C--N 1.374 1.646 0 O-C-N 120.076 -1.64 . . . . 0.0 111.727 172.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.373 0.0 OUTLIER -66.39 -30.05 70.34 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 167.14 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.23 -35.49 68.88 Favored 'General case' 0 C--N 1.366 1.309 0 O-C-N 119.963 -1.71 . . . . 0.0 114.019 170.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 m -70.24 -39.27 75.15 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 127.975 2.51 . . . . 0.0 110.235 172.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.25 -31.4 53.48 Favored 'Isoleucine or valine' 0 C--N 1.37 1.484 0 O-C-N 120.05 -1.656 . . . . 0.0 112.814 169.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -70.78 -31.86 68.78 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 125.337 1.455 . . . . 0.0 113.033 171.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.467 ' HB2' ' HB3' ' A' ' 93' ' ' LYS 0.405 1.9 p30 -68.28 -37.97 81.21 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 124.559 1.143 . . . . 0.0 113.482 171.757 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -56.45 -51.71 67.39 Favored 'General case' 0 C--N 1.374 1.633 0 C-N-CA 126.295 1.838 . . . . 0.0 112.989 165.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.26 9.6 pt-20 -72.5 -15.39 61.79 Favored 'General case' 0 C--N 1.369 1.416 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 174.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.4 m -80.71 -31.03 36.28 Favored 'General case' 0 C--N 1.371 1.54 0 C-N-CA 125.213 1.405 . . . . 0.0 112.029 174.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -78.07 93.74 4.56 Favored 'General case' 0 C--N 1.367 1.362 0 CA-C-O 122.893 1.33 . . . . 0.0 111.976 177.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.346 3.9 pt20 -49.65 -37.91 27.98 Favored Pre-proline 0 C--N 1.365 1.26 0 N-CA-C 119.091 2.997 . . . . 0.0 119.091 -178.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.48 -20.31 65.89 Favored 'Trans proline' 0 C--N 1.363 1.306 0 CA-C-N 125.358 2.949 . . . . 0.0 115.096 169.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.404 2.4 pp -87.31 -15.44 38.0 Favored 'General case' 0 C--N 1.382 2.0 0 CA-C-N 123.872 3.033 . . . . 0.0 112.514 176.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 98.5 mmm -64.98 -27.82 69.09 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 126.483 1.913 . . . . 0.0 115.38 176.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -90.7 -9.16 47.8 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 125.367 1.467 . . . . 0.0 112.292 172.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -102.12 -23.35 14.07 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 126.41 1.884 . . . . 0.0 113.364 177.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 m -125.82 145.88 32.52 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 N-CA-C 104.636 -2.357 . . . . 0.0 104.636 176.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -102.46 -42.07 6.09 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 124.867 2.27 . . . . 0.0 110.747 167.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.574 3.1 mp0 -98.06 39.42 1.23 Allowed 'General case' 0 N--CA 1.439 -1.024 1 C-N-CA 137.183 6.193 . . . . 0.0 118.103 -166.816 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -86.15 111.49 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 O-C-N 119.171 -2.205 . . . . 0.0 107.805 176.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.9 t -142.3 167.72 21.44 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 123.908 1.813 . . . . 0.0 112.529 -166.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -78.59 -102.13 0.02 OUTLIER 'General case' 0 C--N 1.361 1.075 0 C-N-CA 128.232 2.613 . . . . 0.0 109.982 174.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 t -93.71 -53.53 0.25 Allowed Pre-proline 0 C--N 1.36 1.046 0 CA-C-O 115.238 -2.315 . . . . 0.0 114.975 178.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -72.95 137.45 26.75 Favored 'Trans proline' 0 C--N 1.363 1.308 0 CA-C-N 126.571 3.382 . . . . 0.0 113.676 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.71 18.36 7.01 Favored Glycine 0 C--N 1.359 1.82 0 C-N-CA 124.27 0.938 . . . . 0.0 114.3 175.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.33 0.0 OUTLIER -74.69 -15.46 60.79 Favored 'General case' 0 C--N 1.362 1.123 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -177.078 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -107.11 15.9 24.71 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 130.585 3.554 . . . . 0.0 113.239 174.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -92.93 170.9 8.1 Favored Pre-proline 0 C--N 1.366 1.283 0 C-N-CA 125.624 1.57 . . . . 0.0 111.566 -176.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -57.41 143.8 93.25 Favored 'Trans proline' 0 C--N 1.366 1.494 0 C-N-CA 124.902 3.735 . . . . 0.0 119.617 -172.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -91.95 135.77 26.92 Favored Pre-proline 0 N--CA 1.45 -0.428 0 C-N-CA 128.329 2.652 . . . . 0.0 109.784 -175.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -78.22 151.49 90.16 Favored 'Cis proline' 0 CA--C 1.539 0.773 0 CA-C-N 123.315 2.22 . . . . 0.0 115.071 1.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -175.48 166.99 3.3 Favored 'General case' 0 CA--C 1.56 1.344 0 O-C-N 121.384 -0.823 . . . . 0.0 112.659 -174.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 51.6 t -138.15 136.91 44.68 Favored 'Isoleucine or valine' 0 C--N 1.393 2.468 0 O-C-N 121.242 -0.911 . . . . 0.0 113.01 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.2 m -113.03 153.25 14.64 Favored 'Isoleucine or valine' 0 C--N 1.368 1.396 0 O-C-N 120.221 -1.55 . . . . 0.0 111.107 167.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 21.1 mm -85.23 138.76 18.52 Favored 'Isoleucine or valine' 0 C--N 1.368 1.381 0 C-N-CA 125.538 1.535 . . . . 0.0 110.802 169.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -146.51 -164.67 11.12 Favored Glycine 0 C--N 1.356 1.66 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 176.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -145.69 121.47 10.56 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.363 1.18 0 C-N-CA 126.349 1.86 . . . . 0.0 109.203 -173.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 124.185 1.945 . . . . 0.0 115.403 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -107.67 122.19 61.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 1 C-N-CA 133.253 4.621 . . . . 0.0 103.175 178.402 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.9 p -115.09 116.71 28.86 Favored 'General case' 0 C--N 1.368 1.37 0 CA-C-N 121.27 1.85 . . . . 0.0 106.596 170.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . 0.268 3.5 ttt -155.2 161.33 41.22 Favored 'General case' 0 C--N 1.372 1.55 0 CA-C-N 121.468 1.94 . . . . 0.0 114.147 178.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.508 ' OD1' ' CD2' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -131.9 164.4 26.2 Favored 'General case' 0 C--N 1.369 1.415 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -175.127 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.451 ' CZ ' HD13 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -127.55 137.8 52.71 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 103.378 -2.823 . . . . 0.0 103.378 166.869 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.508 ' CD2' ' OD1' ' A' ' 67' ' ' ASP . 33.8 m-70 -112.66 119.09 36.89 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 103.201 -2.889 . . . . 0.0 103.201 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 p -115.15 131.04 68.6 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.075 0 C-N-CA 124.396 1.078 . . . . 0.0 108.647 -174.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -132.39 135.62 46.25 Favored 'General case' 0 C--N 1.36 1.065 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 173.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.73 31.8 4.04 Favored Glycine 0 C--N 1.371 2.523 0 C-N-CA 124.759 1.171 . . . . 0.0 113.596 -176.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.9 70.38 0.01 OUTLIER Glycine 0 C--N 1.356 1.672 0 C-N-CA 129.658 3.504 . . . . 0.0 119.801 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.89 -78.63 0.25 Allowed 'General case' 0 CA--C 1.502 -0.888 0 N-CA-C 104.446 -2.427 . . . . 0.0 104.446 -176.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.5 p -118.83 170.04 9.34 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 126.462 1.905 . . . . 0.0 107.587 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.528 ' HD3' ' H ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -66.6 -45.69 78.35 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 128.829 2.852 . . . . 0.0 113.741 175.217 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.63 -35.47 80.26 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 131.178 3.791 . . . . 0.0 114.918 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -58.97 -33.33 70.53 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 126.357 1.863 . . . . 0.0 115.034 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.74 -45.79 73.96 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 128.661 2.784 . . . . 0.0 115.022 175.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -74.35 -31.06 62.27 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 125.187 1.395 . . . . 0.0 111.368 176.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -67.46 -51.6 49.53 Favored 'General case' 0 C--N 1.374 1.633 0 C-N-CA 124.878 1.271 . . . . 0.0 113.077 168.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.286 10.8 pt -64.66 -39.69 86.49 Favored 'Isoleucine or valine' 0 C--N 1.381 1.945 0 CA-C-N 120.897 1.68 . . . . 0.0 114.154 176.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.5 m -68.11 -49.47 60.95 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 125.745 1.618 . . . . 0.0 113.983 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . 0.289 83.0 p -63.17 -40.38 97.38 Favored 'General case' 0 C--N 1.37 1.499 0 O-C-N 119.382 -2.073 . . . . 0.0 113.776 175.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 86.6 mmt-85 -69.13 -33.1 72.91 Favored 'General case' 0 C--N 1.371 1.502 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 171.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.312 0.3 OUTLIER -67.97 -46.14 82.41 Favored 'Isoleucine or valine' 0 C--N 1.384 2.098 0 C-N-CA 125.817 1.647 . . . . 0.0 113.529 175.682 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.6 -38.89 84.64 Favored 'General case' 0 C--N 1.379 1.881 0 O-C-N 119.839 -1.788 . . . . 0.0 112.532 175.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -59.45 -41.7 90.29 Favored 'General case' 0 C--N 1.38 1.892 0 C-N-CA 126.372 1.869 . . . . 0.0 111.856 172.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.59 -45.34 79.55 Favored 'General case' 0 C--N 1.376 1.743 0 C-N-CA 126.229 1.812 . . . . 0.0 114.348 173.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.451 HD13 ' CZ ' ' A' ' 68' ' ' PHE . 1.5 mp -45.76 -49.8 14.56 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 130.979 3.711 . . . . 0.0 115.113 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.636 0.2 OUTLIER -105.64 11.09 32.65 Favored 'General case' 0 C--N 1.367 1.367 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 169.733 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -45.9 29.85 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 119.02 -2.3 . . . . 0.0 109.687 176.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.467 ' HB3' ' HB2' ' A' ' 17' ' ' ASN 0.286 0.5 OUTLIER -119.93 99.57 48.94 Favored Pre-proline 0 C--N 1.354 0.785 0 N-CA-C 104.837 -2.283 . . . . 0.0 104.837 -179.268 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -55.15 163.16 4.74 Favored 'Trans proline' 0 C--N 1.389 2.665 1 C-N-CA 127.193 5.262 . . . . 0.0 120.131 -164.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.5 mt -87.18 107.01 18.28 Favored 'General case' 0 C--N 1.367 1.347 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -171.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 19.5 ttt -144.79 142.19 29.79 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 113.464 -1.698 . . . . 0.0 111.078 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -133.53 107.16 7.84 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.645 1.978 . . . . 0.0 105.745 170.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 65.43 -71.45 0.08 Allowed 'General case' 0 C--N 1.348 0.54 1 C-N-CA 132.601 4.361 . . . . 0.0 117.387 169.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -139.94 16.81 3.01 Favored Glycine 0 CA--C 1.493 -1.296 0 N-CA-C 107.276 -2.329 . . . . 0.0 107.276 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -122.61 124.65 43.97 Favored 'General case' 0 C--N 1.363 1.17 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.6 m -116.35 131.96 56.8 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 127.771 2.428 . . . . 0.0 105.016 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.401 ' CZ ' ' HB2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -132.67 142.65 49.18 Favored 'General case' 0 C--N 1.362 1.121 0 CA-C-O 122.485 1.136 . . . . 0.0 111.829 -171.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.8 t -106.88 131.66 56.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 C-N-CA 124.849 1.26 . . . . 0.0 111.009 -175.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.62 111.22 16.84 Favored 'General case' 0 C--N 1.369 1.437 0 CA-C-O 122.671 1.224 . . . . 0.0 110.698 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.4 tttm . . . . . 0 C--N 1.352 0.686 0 C-N-CA 126.364 1.866 . . . . 0.0 106.002 -172.662 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.7 p80 . . . . . 0 N--CA 1.446 -0.651 0 CA-C-O 120.951 0.405 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.6 142.4 13.8 Favored Glycine 0 C--N 1.362 2.007 0 N-CA-C 107.447 -2.261 . . . . 0.0 107.447 170.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -117.96 119.46 61.54 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 N-CA-C 101.36 -3.57 . . . . 0.0 101.36 173.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 44.5 mt -115.93 112.78 41.08 Favored 'Isoleucine or valine' 0 C--N 1.362 1.132 0 N-CA-C 105.892 -1.892 . . . . 0.0 105.892 -175.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -118.92 139.13 52.16 Favored 'General case' 0 CA--C 1.495 -1.144 0 O-C-N 120.366 -1.459 . . . . 0.0 107.212 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 4.7 t -130.95 147.8 33.07 Favored 'Isoleucine or valine' 0 C--O 1.248 1.01 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 174.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -111.11 135.82 51.06 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 126.132 1.773 . . . . 0.0 106.319 172.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -130.63 142.68 50.45 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 106.252 -1.759 . . . . 0.0 106.252 -176.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 48.5 m -130.83 142.99 50.42 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 121.228 -0.92 . . . . 0.0 110.082 -172.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 12.8 pt . . . . . 0 C--N 1.364 1.212 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 177.798 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.8 mt . . . . . 0 C--O 1.225 -0.22 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.06 -34.14 76.94 Favored 'General case' 0 C--N 1.375 1.689 0 C-N-CA 126.999 2.12 . . . . 0.0 113.515 174.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . 0.297 52.8 p -57.49 -46.38 83.78 Favored 'General case' 0 C--N 1.373 1.62 0 C-N-CA 128.125 2.57 . . . . 0.0 113.148 175.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.483 9.2 ptm180 -72.41 -35.56 68.42 Favored 'General case' 0 C--N 1.356 0.879 1 C-N-CA 132.214 4.206 . . . . 0.0 115.477 166.151 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.56 -23.15 3.83 Favored 'General case' 0 CA--C 1.567 1.63 0 O-C-N 117.012 -3.555 . . . . 0.0 114.13 171.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -29.58 60.14 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 118.481 2.771 . . . . 0.0 118.481 158.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.16 -43.7 70.31 Favored 'General case' 0 C--N 1.378 1.845 0 C-N-CA 131.308 3.843 . . . . 0.0 110.182 168.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.383 0.0 OUTLIER -67.21 -30.04 69.86 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.054 -1.654 . . . . 0.0 113.701 168.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.67 -36.03 73.14 Favored 'General case' 0 C--N 1.362 1.143 0 C-N-CA 125.961 1.704 . . . . 0.0 113.077 170.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.334 0.7 OUTLIER -70.07 -36.65 75.1 Favored 'General case' 0 C--N 1.375 1.696 0 O-C-N 120.632 -1.292 . . . . 0.0 110.727 171.867 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.94 -31.28 53.03 Favored 'Isoleucine or valine' 0 C--N 1.371 1.506 0 O-C-N 120.088 -1.633 . . . . 0.0 113.797 172.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -70.94 -34.12 71.17 Favored 'General case' 0 C--N 1.367 1.36 0 C-N-CA 125.067 1.347 . . . . 0.0 113.127 171.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.457 ' HB2' ' HB3' ' A' ' 93' ' ' LYS 0.394 8.1 p30 -65.76 -36.94 84.97 Favored 'General case' 0 C--N 1.37 1.487 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 169.6 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.34 -42.15 98.22 Favored 'General case' 0 C--N 1.369 1.451 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 169.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.87 -15.91 57.74 Favored 'General case' 0 C--N 1.368 1.373 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 170.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.6 m -84.32 -24.95 29.59 Favored 'General case' 0 C--N 1.375 1.714 0 C-N-CA 125.28 1.432 . . . . 0.0 112.703 177.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -80.4 99.13 7.81 Favored 'General case' 0 C--N 1.361 1.09 0 O-C-N 120.603 -1.311 . . . . 0.0 111.199 177.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.357 6.2 pt20 -46.22 -40.83 19.52 Favored Pre-proline 0 C--N 1.366 1.301 0 N-CA-C 120.391 3.478 . . . . 0.0 120.391 -177.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -65.88 -22.56 55.99 Favored 'Trans proline' 0 C--N 1.362 1.262 0 C-N-CA 124.734 3.623 . . . . 0.0 115.752 167.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.5 -25.57 62.31 Favored 'General case' 0 C--N 1.377 1.769 0 CA-C-N 121.778 2.081 . . . . 0.0 114.222 -176.031 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 84.2 mmm -76.56 -26.92 55.62 Favored 'General case' 0 C--N 1.349 0.573 1 C-N-CA 131.921 4.088 . . . . 0.0 113.051 173.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -86.87 -39.77 15.51 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 127.036 2.134 . . . . 0.0 111.669 174.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.3 mmt -79.71 -32.83 41.29 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 127.223 2.209 . . . . 0.0 114.375 178.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 t -126.77 144.22 37.66 Favored 'Isoleucine or valine' 0 C--N 1.365 1.241 0 N-CA-C 101.827 -3.398 . . . . 0.0 101.827 173.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -102.92 -8.61 20.55 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 118.582 -2.574 . . . . 0.0 112.367 178.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.402 0.4 OUTLIER -136.69 39.99 2.59 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 110.213 -3.176 . . . . 0.0 113.833 -153.464 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p -89.07 109.37 20.15 Favored 'Isoleucine or valine' 0 C--N 1.37 1.476 0 O-C-N 119.87 -1.769 . . . . 0.0 107.376 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.6 t -145.95 169.01 19.48 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 124.281 1.991 . . . . 0.0 116.033 -167.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -131.03 73.19 1.53 Allowed 'General case' 0 C--N 1.355 0.807 0 C-N-CA 128.335 2.654 . . . . 0.0 104.821 176.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 96.8 p -167.14 -170.16 0.22 Allowed Pre-proline 0 C--N 1.351 0.647 0 N-CA-C 104.37 -2.455 . . . . 0.0 104.37 -172.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -71.28 157.97 55.71 Favored 'Trans proline' 0 CA--C 1.554 1.504 0 C-N-CA 123.511 2.807 . . . . 0.0 110.009 158.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 173.03 -47.09 0.16 Allowed Glycine 0 C--N 1.359 1.822 0 C-N-CA 119.395 -1.383 . . . . 0.0 110.495 -173.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.364 0.0 OUTLIER -48.28 -0.03 0.01 OUTLIER 'General case' 0 C--N 1.36 1.025 2 C-N-CA 132.856 4.463 . . . . 0.0 122.09 -173.254 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -106.61 11.22 30.71 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 128.596 2.758 . . . . 0.0 110.768 173.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -87.68 165.49 29.83 Favored Pre-proline 0 C--N 1.363 1.194 0 O-C-N 119.962 -1.711 . . . . 0.0 111.88 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.19 135.62 17.15 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 124.628 3.552 . . . . 0.0 112.521 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.422 ' CD1' ' HB2' ' A' ' 71' ' ' TRP . 33.7 m-85 -69.36 156.88 90.78 Favored Pre-proline 0 C--N 1.362 1.135 0 C-N-CA 130.866 3.667 . . . . 0.0 117.136 -173.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -83.78 147.95 57.02 Favored 'Cis proline' 0 C--N 1.361 1.21 0 CA-C-N 123.172 2.169 . . . . 0.0 114.205 0.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . 0.48 15.7 p90 -179.54 169.36 1.39 Allowed 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 125.63 1.572 . . . . 0.0 114.08 -178.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.4 t -138.46 145.47 28.17 Favored 'Isoleucine or valine' 0 C--N 1.411 3.276 0 N-CA-C 116.893 2.183 . . . . 0.0 116.893 -175.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.5 m -125.25 163.77 25.5 Favored 'Isoleucine or valine' 0 C--N 1.376 1.744 0 O-C-N 119.85 -1.781 . . . . 0.0 112.166 166.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.7 mm -87.97 140.44 15.8 Favored 'Isoleucine or valine' 0 C--N 1.377 1.771 0 C-N-CA 126.627 1.971 . . . . 0.0 105.977 166.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.78 -168.0 22.06 Favored Glycine 0 CA--C 1.49 -1.477 0 N-CA-C 108.419 -1.873 . . . . 0.0 108.419 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -146.33 132.19 19.09 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 . . . . . 0 C--N 1.361 1.101 0 C-N-CA 125.724 1.609 . . . . 0.0 109.324 178.797 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.537 0.457 0 CA-C-O 122.161 0.981 . . . . 0.0 111.317 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 mp -106.24 121.83 59.22 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 C-N-CA 129.954 3.302 . . . . 0.0 104.278 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.6 p -101.94 116.72 33.32 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 119.685 -1.885 . . . . 0.0 111.181 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.6 mmt -153.89 152.5 30.7 Favored 'General case' 0 C--N 1.364 1.237 0 CA-C-O 122.215 1.007 . . . . 0.0 111.919 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.12 163.64 23.37 Favored 'General case' 0 C--N 1.369 1.433 0 CA-C-O 124.166 1.936 . . . . 0.0 112.259 -172.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.282 0.0 OUTLIER -137.57 139.45 40.43 Favored 'General case' 0 C--O 1.244 0.778 0 N-CA-C 103.347 -2.835 . . . . 0.0 103.347 172.368 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -121.89 122.3 39.09 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 127.024 2.13 . . . . 0.0 108.245 -173.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.0 p -126.59 131.73 70.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 C-N-CA 124.727 1.211 . . . . 0.0 109.997 -173.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.422 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -135.12 129.5 33.99 Favored 'General case' 0 C--N 1.372 1.556 0 CA-C-O 121.493 0.663 . . . . 0.0 111.594 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -123.69 151.78 17.07 Favored Glycine 0 C--N 1.366 2.242 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 175.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 175.07 112.82 0.31 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 104.83 -3.308 . . . . 0.0 104.83 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.4 m 174.26 -61.78 0.01 OUTLIER 'General case' 0 C--N 1.354 0.78 0 N-CA-C 101.826 -3.398 . . . . 0.0 101.826 -175.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.1 p -130.81 152.32 50.28 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 101.007 -3.701 . . . . 0.0 101.007 171.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . 0.266 13.3 ptm180 -66.34 -34.63 78.4 Favored 'General case' 0 C--N 1.362 1.139 0 CA-C-N 120.343 1.429 . . . . 0.0 114.674 177.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.91 -36.11 83.33 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 130.288 3.435 . . . . 0.0 114.71 176.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -57.04 -32.76 66.53 Favored 'General case' 0 C--N 1.379 1.89 0 C-N-CA 125.564 1.545 . . . . 0.0 114.819 174.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.96 -38.27 82.59 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 129.001 2.92 . . . . 0.0 114.21 173.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -76.81 -36.45 56.92 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 125.57 1.548 . . . . 0.0 111.226 174.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -61.81 -49.88 74.54 Favored 'General case' 0 C--N 1.373 1.594 0 C-N-CA 126.207 1.803 . . . . 0.0 112.357 172.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.303 17.1 pt -62.75 -37.35 78.86 Favored 'Isoleucine or valine' 0 C--N 1.371 1.533 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 174.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -68.03 -49.85 58.95 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 127.361 2.264 . . . . 0.0 112.549 173.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.1 t -58.36 -43.89 88.6 Favored 'General case' 0 C--N 1.371 1.507 0 C-N-CA 128.297 2.639 . . . . 0.0 113.241 171.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 -66.8 -36.95 83.57 Favored 'General case' 0 C--N 1.372 1.554 0 C-N-CA 126.353 1.861 . . . . 0.0 114.339 171.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.349 0.3 OUTLIER -66.92 -49.35 74.81 Favored 'Isoleucine or valine' 0 C--N 1.382 1.981 0 CA-C-N 121.013 1.733 . . . . 0.0 112.592 176.38 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.3 mp -63.14 -40.07 96.52 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 119.462 -2.024 . . . . 0.0 113.447 176.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.13 -38.07 89.7 Favored 'General case' 0 C--N 1.372 1.547 0 C-N-CA 125.976 1.71 . . . . 0.0 113.368 172.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.95 -43.45 65.21 Favored 'General case' 0 C--N 1.377 1.764 0 C-N-CA 126.744 2.018 . . . . 0.0 114.024 174.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.23 -50.27 39.3 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 130.635 3.574 . . . . 0.0 113.641 176.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.559 0.2 OUTLIER -102.3 10.24 39.33 Favored 'General case' 0 C--N 1.371 1.508 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 169.353 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -43.38 46.3 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 118.802 -2.436 . . . . 0.0 109.762 175.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 17' ' ' ASN 0.277 0.1 OUTLIER -125.54 94.2 43.17 Favored Pre-proline 0 C--N 1.35 0.593 0 N-CA-C 104.368 -2.456 . . . . 0.0 104.368 179.243 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -63.63 149.02 91.93 Favored 'Trans proline' 0 C--N 1.378 2.117 0 C-N-CA 125.078 3.852 . . . . 0.0 116.809 -168.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.76 107.64 3.1 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 127.396 2.278 . . . . 0.0 116.542 -173.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 44.6 ttm -144.04 143.22 31.08 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 125.856 1.662 . . . . 0.0 107.405 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -135.68 108.41 7.51 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 67.98 26.47 7.38 Favored 'General case' 0 C--N 1.362 1.114 0 C-N-CA 130.013 3.325 . . . . 0.0 114.962 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.4 -6.36 61.2 Favored Glycine 0 C--N 1.355 1.588 0 C-N-CA 125.818 1.675 . . . . 0.0 112.737 -173.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -94.56 128.3 41.09 Favored 'General case' 0 C--N 1.36 1.052 0 CA-C-N 118.882 1.341 . . . . 0.0 111.323 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.0 m -107.32 134.65 50.07 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 125.671 1.589 . . . . 0.0 112.839 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -140.72 121.7 14.59 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 102.186 -3.265 . . . . 0.0 102.186 -179.562 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.7 t -106.17 142.43 19.16 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 C-N-CA 124.999 1.32 . . . . 0.0 108.334 -169.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.84 131.26 35.37 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -173.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 66.1 tttp . . . . . 0 C--N 1.358 0.977 0 C-N-CA 126.425 1.89 . . . . 0.0 106.968 177.697 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 . . . . . 0 N--CA 1.44 -0.929 0 N-CA-C 104.024 -2.584 . . . . 0.0 104.024 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.68 139.88 11.32 Favored Glycine 0 C--N 1.353 1.505 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -120.75 116.73 50.86 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 N-CA-C 102.643 -3.095 . . . . 0.0 102.643 172.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.2 mt -113.31 122.4 67.36 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 -178.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -117.8 126.53 52.6 Favored 'General case' 0 C--N 1.364 1.224 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 178.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.42 145.39 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 CA-C-O 122.825 1.298 . . . . 0.0 109.287 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -110.79 114.98 28.75 Favored 'General case' 0 C--N 1.364 1.204 0 N-CA-C 103.692 -2.707 . . . . 0.0 103.692 168.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -100.98 140.48 35.22 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.396 -1.44 . . . . 0.0 107.131 -176.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 21.2 m -113.09 136.17 53.0 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.817 1.247 . . . . 0.0 111.205 -171.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.2 pt . . . . . 0 C--N 1.363 1.176 0 CA-C-O 122.369 1.08 . . . . 0.0 111.367 176.773 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 C--O 1.22 -0.451 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.54 -34.82 77.86 Favored 'General case' 0 C--N 1.371 1.506 0 CA-C-N 120.724 1.602 . . . . 0.0 114.313 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.408 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 23.5 m -56.87 -46.78 81.61 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 127.532 2.333 . . . . 0.0 113.36 171.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.468 0.0 OUTLIER -74.24 -38.28 63.54 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 131.422 3.889 . . . . 0.0 116.155 170.568 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.02 -23.75 34.93 Favored 'General case' 0 C--N 1.366 1.315 0 O-C-N 117.326 -3.359 . . . . 0.0 113.62 173.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 102' ' ' PHE 0.272 1.6 tp -55.31 -40.37 71.05 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 127.398 2.279 . . . . 0.0 115.414 161.243 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -70.02 -39.17 75.98 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 126.489 1.916 . . . . 0.0 111.688 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.327 0.0 OUTLIER -68.01 -30.13 69.3 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 165.796 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.88 72.57 Favored 'General case' 0 C--N 1.364 1.2 0 O-C-N 119.775 -1.828 . . . . 0.0 112.799 172.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 m -69.93 -35.09 74.26 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 127.203 2.201 . . . . 0.0 111.19 175.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.42 -31.79 54.4 Favored 'Isoleucine or valine' 0 C--N 1.374 1.637 0 O-C-N 120.466 -1.396 . . . . 0.0 112.27 168.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -70.69 -29.78 66.18 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 124.74 1.216 . . . . 0.0 112.999 170.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.413 ' HB3' ' HB3' ' A' ' 93' ' ' LYS . 11.0 m-20 -65.45 -38.86 91.1 Favored 'General case' 0 C--N 1.372 1.544 0 O-C-N 118.921 -2.362 . . . . 0.0 111.67 169.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 mp -62.3 -35.86 80.34 Favored 'General case' 0 C--N 1.377 1.793 0 C-N-CA 127.131 2.173 . . . . 0.0 112.595 169.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -31.48 65.49 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 126.109 1.763 . . . . 0.0 113.455 170.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.1 t -76.08 -35.42 59.38 Favored 'General case' 0 C--N 1.374 1.656 0 C-N-CA 125.171 1.388 . . . . 0.0 114.202 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -75.45 95.27 3.24 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 123.022 1.392 . . . . 0.0 113.14 -177.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.354 1.2 pt20 -40.38 -45.59 5.26 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 130.47 3.508 . . . . 0.0 118.845 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.54 -19.82 65.3 Favored 'Trans proline' 0 CA--C 1.55 1.305 0 C-N-CA 125.16 3.907 . . . . 0.0 116.298 166.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.94 -32.5 59.59 Favored 'General case' 0 C--N 1.374 1.633 0 CA-C-N 122.029 2.195 . . . . 0.0 112.361 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.9 mmm -66.18 -28.21 68.59 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 129.574 3.15 . . . . 0.0 114.834 176.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -80.28 -18.33 49.64 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 126.924 2.089 . . . . 0.0 112.805 175.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 51.0 mtt -102.36 -45.69 5.02 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.731 2.012 . . . . 0.0 115.607 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.4 p -122.32 143.69 34.19 Favored 'Isoleucine or valine' 0 C--N 1.364 1.217 0 O-C-N 119.116 -2.24 . . . . 0.0 106.415 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -102.92 -26.31 13.15 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 125.679 2.657 . . . . 0.0 111.095 172.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.493 3.3 mp0 -97.34 40.71 1.14 Allowed 'General case' 0 N--CA 1.428 -1.572 1 C-N-CA 137.513 6.325 . . . . 0.0 114.138 -166.233 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.27 108.58 18.83 Favored 'Isoleucine or valine' 0 C--N 1.375 1.714 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 173.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.3 t -132.23 158.45 41.75 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.336 1.455 . . . . 0.0 113.577 -173.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -99.57 -9.92 22.67 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 126.133 1.773 . . . . 0.0 113.412 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.292 14.8 m -166.43 -79.89 0.0 OUTLIER Pre-proline 0 C--N 1.356 0.855 0 CA-C-O 114.765 -2.54 . . . . 0.0 110.011 178.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -72.82 138.32 28.6 Favored 'Trans proline' 0 C--N 1.366 1.472 0 C-N-CA 124.477 3.451 . . . . 0.0 112.599 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.1 28.57 2.82 Favored Glycine 0 C--N 1.363 2.068 0 O-C-N 120.311 -1.493 . . . . 0.0 111.22 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.326 0.0 OUTLIER -86.91 -26.07 24.1 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 127.442 2.297 . . . . 0.0 114.358 171.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 52.2 p30 -95.05 15.29 19.29 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 127.521 2.329 . . . . 0.0 116.094 -175.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -85.36 169.02 17.27 Favored Pre-proline 0 C--N 1.359 1.008 0 C-N-CA 124.138 0.975 . . . . 0.0 112.642 176.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -75.32 146.46 31.56 Favored 'Trans proline' 0 CA--C 1.551 1.346 0 C-N-CA 124.122 3.215 . . . . 0.0 113.866 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.429 ' CE1' ' HB2' ' A' ' 71' ' ' TRP . 76.7 m-85 -65.11 145.35 99.11 Favored Pre-proline 0 C--N 1.369 1.43 0 C-N-CA 130.315 3.446 . . . . 0.0 114.669 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -87.62 149.64 34.71 Favored 'Cis proline' 0 C--N 1.354 0.858 0 CA-C-N 123.074 2.134 . . . . 0.0 113.453 4.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -172.03 168.63 5.83 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 124.144 0.978 . . . . 0.0 113.435 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.9 t -133.89 124.15 46.38 Favored 'Isoleucine or valine' 0 C--N 1.398 2.705 0 CA-C-O 123.364 1.554 . . . . 0.0 114.02 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.7 m -112.76 145.98 18.06 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 O-C-N 120.43 -1.419 . . . . 0.0 110.717 175.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.2 mm -79.86 140.13 17.22 Favored 'Isoleucine or valine' 0 C--N 1.375 1.715 0 C-N-CA 126.02 1.728 . . . . 0.0 107.353 169.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -166.02 -178.83 39.15 Favored Glycine 0 CA--C 1.485 -1.803 0 N-CA-C 108.649 -1.78 . . . . 0.0 108.649 -176.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -145.05 120.68 10.45 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -176.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 . . . . . 0 C--N 1.365 1.278 0 C-N-CA 127.064 2.146 . . . . 0.0 107.839 178.715 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.8 m120 . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 102.532 -3.136 . . . . 0.0 102.532 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -115.86 122.12 68.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 N-CA-C 101.111 -3.663 . . . . 0.0 101.111 176.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.5 p -129.06 117.0 20.16 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 177.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 28.5 tpp -154.03 156.37 37.24 Favored 'General case' 0 C--N 1.369 1.445 0 CA-C-O 122.513 1.149 . . . . 0.0 112.72 -175.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.94 163.86 28.59 Favored 'General case' 0 C--N 1.364 1.22 0 CA-C-O 125.265 2.46 . . . . 0.0 112.987 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.402 ' CE1' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -130.26 139.42 50.76 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 101.492 -3.521 . . . . 0.0 101.492 173.415 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -112.59 118.43 35.07 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 101.404 -3.554 . . . . 0.0 101.404 -176.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.445 HG22 HG12 ' A' ' 86' ' ' VAL . 67.4 t -123.11 111.79 31.1 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.519 0 N-CA-C 103.731 -2.692 . . . . 0.0 103.731 -165.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.429 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -129.75 138.8 51.28 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 116.463 -2.095 . . . . 0.0 110.801 -174.86 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.1 150.73 17.27 Favored Glycine 0 C--N 1.359 1.841 0 N-CA-C 106.481 -2.648 . . . . 0.0 106.481 171.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -134.21 31.88 2.73 Favored Glycine 0 C--N 1.351 1.373 0 N-CA-C 107.306 -2.317 . . . . 0.0 107.306 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.1 m -106.05 -53.68 2.6 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 126.72 2.008 . . . . 0.0 113.048 -169.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.3 m -164.11 154.16 14.7 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 105.225 -2.139 . . . . 0.0 105.225 -176.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -52.46 -46.2 66.38 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 130.866 3.666 . . . . 0.0 115.799 175.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.47 -36.28 65.81 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 129.726 3.21 . . . . 0.0 113.903 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -68.04 -36.33 79.72 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 127.068 2.147 . . . . 0.0 113.027 177.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.53 -36.38 78.77 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 128.456 2.702 . . . . 0.0 114.406 174.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -77.72 -32.64 53.0 Favored 'General case' 0 C--N 1.366 1.311 0 O-C-N 120.549 -1.344 . . . . 0.0 112.363 171.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -62.5 -45.17 94.24 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 127.839 2.456 . . . . 0.0 112.328 172.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.445 ' HA ' ' HG3' ' A' ' 85' ' ' ARG 0.285 19.5 pt -65.36 -39.66 86.0 Favored 'Isoleucine or valine' 0 C--N 1.38 1.917 0 CA-C-N 119.78 1.173 . . . . 0.0 113.689 172.293 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.0 t -62.49 -49.62 74.67 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 127.127 2.171 . . . . 0.0 112.945 174.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 t -65.85 -42.14 90.84 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 128.961 2.904 . . . . 0.0 113.912 173.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.445 ' HG3' ' HA ' ' A' ' 82' ' ' ILE 0.467 0.0 OUTLIER -70.76 -29.39 65.61 Favored 'General case' 0 C--N 1.379 1.888 0 C-N-CA 125.69 1.596 . . . . 0.0 115.215 174.318 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.445 HG12 HG22 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -69.25 -49.18 63.5 Favored 'Isoleucine or valine' 0 C--N 1.384 2.089 0 C-N-CA 125.503 1.521 . . . . 0.0 110.676 170.27 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.251 0.3 OUTLIER -58.6 -40.29 82.84 Favored 'General case' 0 C--N 1.372 1.584 0 C-N-CA 128.302 2.641 . . . . 0.0 112.76 174.549 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.7 -46.1 87.03 Favored 'General case' 0 C--N 1.376 1.719 0 C-N-CA 126.108 1.763 . . . . 0.0 113.463 170.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.05 98.35 Favored 'General case' 0 C--N 1.379 1.872 0 C-N-CA 126.873 2.069 . . . . 0.0 114.684 171.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.402 HD22 ' CE1' ' A' ' 68' ' ' PHE . 1.6 mp -50.51 -49.25 56.1 Favored 'General case' 0 C--N 1.379 1.869 0 C-N-CA 129.024 2.93 . . . . 0.0 113.928 175.203 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.781 0.2 OUTLIER -106.11 11.61 31.19 Favored 'General case' 0 C--N 1.376 1.72 0 N-CA-C 117.514 2.413 . . . . 0.0 117.514 169.853 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -41.77 59.8 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 119.214 -2.179 . . . . 0.0 107.348 172.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 17' ' ' ASN 0.251 9.6 tptp -104.26 134.26 19.78 Favored Pre-proline 0 N--CA 1.431 -1.417 0 N-CA-C 103.182 -2.896 . . . . 0.0 103.182 175.274 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -78.95 152.49 24.81 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 123.688 2.925 . . . . 0.0 110.676 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.37 107.26 13.03 Favored 'General case' 0 C--N 1.36 1.048 0 CA-C-O 125.193 2.425 . . . . 0.0 113.462 -177.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 15.1 ttt -145.34 151.06 37.7 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 111.7 -2.5 . . . . 0.0 108.007 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -134.87 107.04 7.15 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 104.798 -2.297 . . . . 0.0 104.798 167.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 66.18 -76.0 0.05 OUTLIER 'General case' 0 C--N 1.35 0.607 1 C-N-CA 133.672 4.789 . . . . 0.0 116.673 170.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.24 19.75 2.47 Favored Glycine 0 CA--C 1.496 -1.118 0 N-CA-C 106.977 -2.449 . . . . 0.0 106.977 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -121.45 124.82 45.4 Favored 'General case' 0 C--N 1.366 1.31 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.3 m -121.67 138.02 54.51 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 125.487 1.515 . . . . 0.0 107.779 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -134.35 147.74 50.6 Favored 'General case' 0 C--N 1.345 0.38 0 C-N-CA 128.711 2.804 . . . . 0.0 105.447 -178.552 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.6 t -106.49 132.01 54.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 C-N-CA 127.285 2.234 . . . . 0.0 107.881 -175.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.88 138.8 34.98 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 126.387 1.875 . . . . 0.0 113.846 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.4 tttp . . . . . 0 C--N 1.357 0.918 0 C-N-CA 126.82 2.048 . . . . 0.0 114.467 -177.763 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.449 -0.514 0 N-CA-C 100.5 -3.889 . . . . 0.0 100.5 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -123.36 129.29 7.31 Favored Glycine 0 CA--C 1.484 -1.886 0 N-CA-C 107.851 -2.099 . . . . 0.0 107.851 -169.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -105.04 114.91 45.83 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 N-CA-C 103.101 -2.925 . . . . 0.0 103.101 176.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.3 mm -104.99 113.46 42.1 Favored 'Isoleucine or valine' 0 C--N 1.358 0.942 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 -172.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -124.17 136.52 54.25 Favored 'General case' 0 CA--C 1.492 -1.27 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -177.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 40.0 t -131.01 144.33 38.17 Favored 'Isoleucine or valine' 0 C--O 1.247 0.924 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 177.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -117.71 129.35 55.66 Favored 'General case' 0 C--N 1.362 1.123 0 N-CA-C 104.709 -2.33 . . . . 0.0 104.709 174.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -126.32 145.27 50.5 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 104.179 -2.526 . . . . 0.0 104.179 -173.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 46.0 m -135.69 142.17 45.06 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 119.908 -1.745 . . . . 0.0 109.705 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.9 pt . . . . . 0 C--N 1.363 1.193 0 C-N-CA 129.643 3.177 . . . . 0.0 102.938 175.617 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.467 0.408 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.53 -33.62 70.07 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 127.274 2.229 . . . . 0.0 114.244 173.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.9 m -57.04 -47.95 79.69 Favored 'General case' 0 C--N 1.367 1.355 0 C-N-CA 127.895 2.478 . . . . 0.0 113.579 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.492 78.3 ttt-85 -72.58 -35.7 67.98 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 131.228 3.811 . . . . 0.0 114.353 170.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.17 -22.91 4.74 Favored 'General case' 0 CA--C 1.566 1.575 0 O-C-N 118.488 -2.633 . . . . 0.0 114.241 167.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.441 HD23 ' CD2' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -56.13 -33.58 65.29 Favored 'General case' 0 C--N 1.373 1.629 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 160.786 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -70.48 -37.88 74.3 Favored 'General case' 0 C--N 1.374 1.643 0 C-N-CA 128.708 2.803 . . . . 0.0 110.282 172.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -64.83 -32.5 74.22 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.777 -1.202 . . . . 0.0 114.232 167.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.19 -33.09 67.39 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 127.019 2.127 . . . . 0.0 112.143 171.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.8 m -69.96 -44.64 69.09 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 127.927 2.491 . . . . 0.0 111.197 172.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.18 -30.71 50.38 Favored 'Isoleucine or valine' 0 C--N 1.366 1.303 0 C-N-CA 126.837 2.055 . . . . 0.0 112.802 170.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -70.44 -36.18 73.8 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 124.294 1.038 . . . . 0.0 112.172 170.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . 0.423 12.9 p30 -62.48 -36.52 82.74 Favored 'General case' 0 C--N 1.365 1.272 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 168.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 mt -61.62 -40.64 95.59 Favored 'General case' 0 C--N 1.37 1.474 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 167.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -26.44 59.59 Favored 'General case' 0 C--N 1.37 1.461 0 C-N-CA 125.512 1.525 . . . . 0.0 113.768 173.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -86.79 -22.13 26.07 Favored 'General case' 0 C--N 1.371 1.501 0 C-N-CA 127.007 2.123 . . . . 0.0 113.571 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -81.11 98.45 8.02 Favored 'General case' 0 C--N 1.357 0.912 0 C-N-CA 124.866 1.266 . . . . 0.0 111.868 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.403 6.2 pt20 -40.58 -48.49 6.96 Favored Pre-proline 0 C--N 1.368 1.388 0 N-CA-C 121.036 3.717 . . . . 0.0 121.036 -174.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -65.9 -20.47 58.04 Favored 'Trans proline' 0 CA--C 1.552 1.378 0 CA-C-N 127.139 3.585 . . . . 0.0 115.694 168.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 tt -76.18 -26.05 55.82 Favored 'General case' 0 C--N 1.375 1.698 0 CA-C-N 122.357 2.344 . . . . 0.0 113.173 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 67.3 mtp -65.65 -27.99 68.77 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 128.091 2.557 . . . . 0.0 113.272 175.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -82.49 -9.97 59.21 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 126.969 2.107 . . . . 0.0 112.251 172.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.9 mmt -102.33 -31.05 10.7 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 127.908 2.483 . . . . 0.0 111.868 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.1 m -122.86 144.39 32.48 Favored 'Isoleucine or valine' 0 C--N 1.364 1.227 0 O-C-N 119.713 -1.867 . . . . 0.0 110.431 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.39 -8.64 19.04 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 120.103 -1.623 . . . . 0.0 110.314 164.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.417 6.4 mm-40 -136.77 38.57 2.61 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 130.271 3.428 . . . . 0.0 116.419 -157.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.4 p -86.55 109.46 18.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 O-C-N 118.6 -2.563 . . . . 0.0 107.722 176.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.1 t -140.25 144.6 36.57 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 123.913 1.816 . . . . 0.0 113.549 -170.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.412 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 5.3 tm-20 -90.96 -29.9 17.15 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 126.433 1.893 . . . . 0.0 112.163 176.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.3 m -106.12 151.65 40.19 Favored Pre-proline 0 C--N 1.354 0.803 0 C-N-CA 127.085 2.154 . . . . 0.0 106.227 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -63.91 136.25 51.99 Favored 'Trans proline' 0 C--N 1.359 1.116 0 CA-C-N 124.061 2.486 . . . . 0.0 117.958 -164.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.57 27.27 0.6 Allowed Glycine 0 CA--C 1.496 -1.12 0 N-CA-C 104.268 -3.533 . . . . 0.0 104.268 176.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.348 0.0 OUTLIER -84.52 -10.73 57.18 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 127.721 2.409 . . . . 0.0 114.456 -167.327 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -92.41 1.39 57.27 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 129.395 3.078 . . . . 0.0 110.573 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -95.56 157.89 35.39 Favored Pre-proline 0 C--N 1.362 1.11 0 C-N-CA 126.008 1.723 . . . . 0.0 109.152 174.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -75.68 163.09 34.45 Favored 'Trans proline' 0 CA--C 1.546 1.116 0 C-N-CA 124.819 3.68 . . . . 0.0 114.734 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.411 ' CE2' ' HB3' ' A' ' 71' ' ' TRP . 4.7 m-30 -73.32 163.71 66.44 Favored Pre-proline 0 CA--C 1.56 1.352 0 C-N-CA 128.929 2.891 . . . . 0.0 114.247 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -80.96 147.57 73.78 Favored 'Cis proline' 0 C--N 1.361 1.209 0 CA-C-N 121.94 1.729 . . . . 0.0 111.362 -1.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.415 ' CE1' ' CZ3' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -173.98 167.52 4.27 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-O 121.793 0.806 . . . . 0.0 112.305 -172.004 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.4 t -137.49 125.95 33.2 Favored 'Isoleucine or valine' 0 C--N 1.371 1.514 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.288 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.411 HG21 ' CH2' ' A' ' 71' ' ' TRP . 5.2 m -117.03 152.1 18.83 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 121.039 -1.038 . . . . 0.0 110.794 174.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.412 ' HB ' ' HA ' ' A' ' 33' ' ' GLU . 1.2 mp -74.41 140.64 17.24 Favored 'Isoleucine or valine' 0 C--N 1.371 1.527 0 C-N-CA 126.449 1.9 . . . . 0.0 111.793 171.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.72 -177.91 36.92 Favored Glycine 0 CA--C 1.474 -2.475 0 C-N-CA 118.446 -1.835 . . . . 0.0 109.14 176.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -145.81 121.02 10.18 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 102.817 -3.031 . . . . 0.0 102.817 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.366 1.306 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -174.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.9 p30 . . . . . 0 N--CA 1.449 -0.484 0 CA-C-O 123.625 1.679 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.431 ' HB ' ' CD2' ' A' ' 129' ' ' PHE . 0.2 OUTLIER -124.14 135.52 63.37 Favored 'Isoleucine or valine' 0 C--N 1.361 1.081 0 N-CA-C 104.032 -2.581 . . . . 0.0 104.032 -177.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 91.1 m -130.01 120.63 25.06 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 66.6 mmm -147.0 151.34 36.8 Favored 'General case' 0 C--N 1.363 1.17 0 CA-C-N 121.186 1.812 . . . . 0.0 111.112 -176.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.85 163.64 17.22 Favored 'General case' 0 C--N 1.363 1.192 0 CA-C-O 124.576 2.131 . . . . 0.0 110.937 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.297 0.0 OUTLIER -142.51 140.22 31.75 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 102.65 -3.092 . . . . 0.0 102.65 173.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -112.49 118.1 34.21 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 101.654 -3.462 . . . . 0.0 101.654 -176.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.1 t -118.6 111.94 35.93 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.27 0 N-CA-C 105.265 -2.124 . . . . 0.0 105.265 -167.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.415 ' CZ3' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -130.26 139.15 50.79 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 117.778 -1.569 . . . . 0.0 109.492 -176.4 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -140.51 171.04 24.18 Favored Glycine 0 CA--C 1.484 -1.849 0 N-CA-C 107.892 -2.083 . . . . 0.0 107.892 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -114.71 -150.41 10.0 Favored Glycine 0 C--N 1.355 1.613 0 C-N-CA 124.98 1.276 . . . . 0.0 111.192 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.26 31.1 m 73.2 -67.92 0.25 Allowed 'General case' 0 C--N 1.36 1.046 0 C-N-CA 128.317 2.647 . . . . 0.0 115.468 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.7 m -157.47 155.3 30.16 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 -176.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.33 -35.17 50.11 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 130.784 3.634 . . . . 0.0 114.878 177.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.28 -35.39 73.67 Favored 'General case' 0 C--N 1.362 1.121 0 C-N-CA 129.918 3.287 . . . . 0.0 115.215 173.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -69.99 -33.49 72.12 Favored 'General case' 0 C--N 1.371 1.508 0 C-N-CA 126.558 1.943 . . . . 0.0 113.913 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.89 -29.97 70.56 Favored 'General case' 0 C--N 1.366 1.294 0 C-N-CA 129.753 3.221 . . . . 0.0 114.652 175.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -77.12 -37.91 53.21 Favored 'General case' 0 C--N 1.363 1.196 0 C-N-CA 127.685 2.394 . . . . 0.0 111.138 174.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.17 -50.98 59.19 Favored 'General case' 0 C--N 1.37 1.497 0 C-N-CA 127.336 2.254 . . . . 0.0 111.953 173.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.33 40.7 pt -61.6 -37.61 78.3 Favored 'Isoleucine or valine' 0 C--N 1.375 1.702 0 C-N-CA 125.045 1.338 . . . . 0.0 114.546 175.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . 0.25 15.6 p -68.13 -39.78 82.63 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 126.171 1.788 . . . . 0.0 112.734 173.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 t -67.76 -42.26 82.05 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 127.83 2.452 . . . . 0.0 112.831 173.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -63.79 -34.53 78.12 Favored 'General case' 0 C--N 1.374 1.631 0 C-N-CA 126.378 1.871 . . . . 0.0 112.627 172.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.252 4.7 t -64.05 -49.49 81.32 Favored 'Isoleucine or valine' 0 C--N 1.387 2.198 0 C-N-CA 125.199 1.399 . . . . 0.0 112.396 166.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.02 -48.19 74.78 Favored 'General case' 0 C--N 1.378 1.824 0 CA-C-N 123.324 2.784 . . . . 0.0 114.27 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.65 -34.89 73.39 Favored 'General case' 0 C--N 1.374 1.643 0 C-N-CA 127.339 2.256 . . . . 0.0 112.517 174.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.57 -45.7 78.42 Favored 'General case' 0 C--N 1.38 1.893 0 C-N-CA 125.532 1.533 . . . . 0.0 114.017 167.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.259 33.9 mt -49.09 -45.57 43.44 Favored 'General case' 0 C--N 1.396 2.611 0 C-N-CA 127.681 2.392 . . . . 0.0 114.744 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.591 0.2 OUTLIER -103.19 10.27 37.86 Favored 'General case' 0 C--N 1.365 1.244 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 171.206 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -78.29 -45.64 22.22 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 119.304 -2.122 . . . . 0.0 109.12 175.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.02 101.74 47.16 Favored Pre-proline 0 C--N 1.356 0.867 0 N-CA-C 102.113 -3.292 . . . . 0.0 102.113 175.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.69 157.55 58.26 Favored 'Trans proline' 0 C--N 1.36 1.149 0 C-N-CA 124.028 3.152 . . . . 0.0 115.059 -170.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.6 mt -71.31 107.4 4.26 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 126.977 2.111 . . . . 0.0 115.717 -172.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 46.5 ttp -145.16 139.3 27.16 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 126.102 1.761 . . . . 0.0 108.435 176.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -134.77 108.17 7.82 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 178.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 71.53 22.32 4.17 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 130.036 3.334 . . . . 0.0 115.368 173.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 101.15 -5.75 56.01 Favored Glycine 0 C--N 1.353 1.495 0 C-N-CA 126.035 1.779 . . . . 0.0 112.013 -174.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -96.71 126.09 41.63 Favored 'General case' 0 C--N 1.361 1.072 0 CA-C-N 118.437 1.118 . . . . 0.0 109.364 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.2 p -93.44 153.03 18.72 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 127.354 2.261 . . . . 0.0 113.078 -175.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -136.29 139.2 42.48 Favored 'General case' 0 C--N 1.361 1.102 0 N-CA-C 105.928 -1.878 . . . . 0.0 105.928 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.3 t -107.09 115.88 49.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 C-N-CA 126.24 1.816 . . . . 0.0 108.762 -173.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.2 138.72 35.8 Favored 'General case' 0 C--N 1.367 1.347 0 N-CA-C 117.507 2.41 . . . . 0.0 117.507 -172.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.0 tttp . . . . . 0 N--CA 1.444 -0.759 0 C-N-CA 129.859 3.264 . . . . 0.0 107.131 177.432 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.441 -0.896 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -122.32 140.65 13.62 Favored Glycine 0 C--N 1.353 1.492 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 171.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.23 117.86 52.78 Favored 'Isoleucine or valine' 0 C--N 1.367 1.34 0 N-CA-C 103.568 -2.753 . . . . 0.0 103.568 172.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.3 mm -112.74 117.89 56.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 CA-C-N 114.507 -1.224 . . . . 0.0 108.106 -170.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -116.73 140.14 49.76 Favored 'General case' 0 C--N 1.37 1.485 0 CA-C-O 121.325 0.583 . . . . 0.0 109.907 175.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -136.0 157.56 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 169.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . 0.273 24.9 ttt180 -134.49 141.59 46.79 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 126.707 2.003 . . . . 0.0 110.209 174.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.441 ' CD2' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -133.38 144.38 49.53 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 104.643 -2.355 . . . . 0.0 104.643 -175.905 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 88.3 m -134.89 142.98 46.71 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 126.667 1.987 . . . . 0.0 106.465 -174.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 9.7 tp . . . . . 0 C--N 1.363 1.159 0 O-C-N 119.909 -1.744 . . . . 0.0 108.427 176.392 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.6 tp . . . . . 0 N--CA 1.469 0.492 0 N-CA-C 120.054 3.353 . . . . 0.0 120.054 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.26 -51.43 37.53 Favored 'General case' 0 C--N 1.367 1.341 0 CA-C-N 122.073 2.215 . . . . 0.0 113.146 174.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 m -58.5 -48.65 80.1 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 129.399 3.08 . . . . 0.0 117.469 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.523 9.2 tpt180 -73.9 -37.84 64.55 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.279 2.231 . . . . 0.0 114.146 172.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.296 . . -58.51 -22.68 55.97 Favored 'General case' 0 C--N 1.367 1.354 0 O-C-N 117.965 -2.959 . . . . 0.0 115.383 170.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.469 ' HB3' ' CE1' ' A' ' 102' ' ' PHE 0.319 0.4 OUTLIER -63.62 -28.71 70.1 Favored 'General case' 0 C--N 1.377 1.772 0 O-C-N 120.414 -1.429 . . . . 0.0 114.776 161.059 . . . . . . . . 4 4 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.291 1.0 OUTLIER -67.95 -38.23 82.55 Favored 'General case' 0 C--N 1.383 2.038 0 O-C-N 118.619 -2.551 . . . . 0.0 109.858 174.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -66.01 -29.76 70.19 Favored 'General case' 0 C--N 1.368 1.397 0 CA-C-N 113.609 -1.632 . . . . 0.0 113.898 166.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.26 -42.73 79.2 Favored 'General case' 0 C--N 1.37 1.484 0 C-N-CA 125.562 1.545 . . . . 0.0 111.978 168.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.3 p -57.25 -41.79 80.31 Favored 'General case' 0 C--N 1.382 2.015 0 C-N-CA 126.124 1.77 . . . . 0.0 111.918 172.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -69.74 -33.8 57.96 Favored 'Isoleucine or valine' 0 C--N 1.369 1.428 0 CA-C-N 114.676 -1.147 . . . . 0.0 114.063 176.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -71.42 -29.93 65.48 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 170.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.417 ' HA ' ' HD3' ' A' ' 93' ' ' LYS . 8.6 m-20 -69.71 -39.14 77.05 Favored 'General case' 0 C--N 1.372 1.547 0 O-C-N 120.312 -1.492 . . . . 0.0 112.118 171.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.72 -46.28 88.86 Favored 'General case' 0 C--N 1.373 1.623 0 C-N-CA 126.78 2.032 . . . . 0.0 112.45 172.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.261 0.0 OUTLIER -69.13 -25.38 64.36 Favored 'General case' 0 C--N 1.363 1.167 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 172.66 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.463 ' HB2' ' HD3' ' A' ' 93' ' ' LYS . 14.1 m -84.68 -21.84 30.02 Favored 'General case' 0 C--N 1.385 2.111 0 CA-C-N 120.023 1.283 . . . . 0.0 114.214 177.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.427 ' CD2' ' HB1' ' A' ' 89' ' ' ALA . 43.4 t80 -75.8 98.08 4.06 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.314 6.6 pt20 -42.36 -44.39 8.99 Favored Pre-proline 0 C--N 1.369 1.439 0 N-CA-C 118.567 2.803 . . . . 0.0 118.567 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -65.4 -21.95 60.21 Favored 'Trans proline' 0 C--N 1.363 1.333 0 C-N-CA 124.703 3.602 . . . . 0.0 116.264 170.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 85' ' ' ARG 0.405 3.4 pp -86.89 -18.28 31.22 Favored 'General case' 0 C--N 1.382 2.02 0 CA-C-N 124.342 3.247 . . . . 0.0 113.269 176.685 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 84.7 mmm -67.19 -28.61 68.24 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 127.237 2.215 . . . . 0.0 115.0 174.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -78.07 -25.64 47.77 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 127.158 2.183 . . . . 0.0 112.9 177.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 48.3 tpp -102.79 -40.15 6.69 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 125.21 1.404 . . . . 0.0 114.6 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.463 HG11 HH12 ' A' ' 85' ' ' ARG . 11.4 m -121.61 142.66 36.93 Favored 'Isoleucine or valine' 0 C--N 1.372 1.566 0 O-C-N 117.923 -2.986 . . . . 0.0 107.171 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -102.63 -36.61 8.28 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-O 125.722 2.677 . . . . 0.0 111.83 -178.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -98.24 37.06 1.49 Allowed 'General case' 0 N--CA 1.435 -1.207 1 C-N-CA 136.275 5.83 . . . . 0.0 111.159 -172.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 p -87.93 106.52 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.159 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 172.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.9 t -146.45 168.73 20.46 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-O 123.082 1.42 . . . . 0.0 113.612 -165.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -98.78 -16.51 18.89 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 127.802 2.441 . . . . 0.0 113.137 178.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.6 m -174.4 -68.6 0.0 OUTLIER Pre-proline 0 C--N 1.36 1.046 0 CA-C-O 116.89 -1.529 . . . . 0.0 110.603 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -73.13 137.2 25.88 Favored 'Trans proline' 0 C--N 1.363 1.326 0 CA-C-N 126.84 3.479 . . . . 0.0 112.451 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.43 12.32 38.93 Favored Glycine 0 C--N 1.356 1.689 0 O-C-N 120.665 -1.272 . . . . 0.0 111.83 -174.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -23.38 29.85 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 128.011 2.524 . . . . 0.0 116.31 -176.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -105.89 15.43 26.63 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 127.647 2.379 . . . . 0.0 110.014 -177.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -89.84 164.9 26.91 Favored Pre-proline 0 C--N 1.359 1.009 0 C-N-CA 125.851 1.66 . . . . 0.0 110.675 177.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -74.6 155.4 44.9 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 124.178 3.252 . . . . 0.0 115.142 -175.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -68.59 142.22 93.86 Favored Pre-proline 0 C--N 1.362 1.123 0 C-N-CA 129.042 2.937 . . . . 0.0 114.397 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -85.7 148.53 44.46 Favored 'Cis proline' 0 CA--C 1.546 1.082 0 CA-C-N 122.422 1.901 . . . . 0.0 115.329 5.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -168.35 167.85 11.72 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 124.993 1.317 . . . . 0.0 113.458 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.7 t -132.21 131.7 60.93 Favored 'Isoleucine or valine' 0 C--N 1.395 2.554 0 O-C-N 121.09 -1.007 . . . . 0.0 110.504 179.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.3 m -121.92 151.72 25.59 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 O-C-N 119.817 -1.802 . . . . 0.0 109.955 177.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.6 mt -82.68 139.9 17.15 Favored 'Isoleucine or valine' 0 C--N 1.368 1.39 0 C-N-CA 125.481 1.512 . . . . 0.0 107.871 165.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.84 -152.59 6.11 Favored Glycine 0 N--CA 1.441 -0.997 0 N-CA-C 106.234 -2.746 . . . . 0.0 106.234 174.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -146.86 151.9 37.83 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 176.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? . . . . . 0 C--N 1.359 1.009 0 C-N-CA 125.744 1.617 . . . . 0.0 108.664 -178.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 N--CA 1.448 -0.548 0 CA-C-O 122.052 0.929 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -108.37 125.05 65.16 Favored 'Isoleucine or valine' 0 C--N 1.366 1.301 0 C-N-CA 128.925 2.89 . . . . 0.0 103.818 177.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 p -130.41 124.48 32.23 Favored 'General case' 0 C--N 1.356 0.888 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.3 ptm -145.63 157.73 43.93 Favored 'General case' 0 C--N 1.366 1.324 0 O-C-N 121.239 -0.913 . . . . 0.0 111.83 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -134.41 143.17 47.42 Favored 'General case' 0 C--N 1.369 1.42 0 CA-C-O 122.197 0.999 . . . . 0.0 109.239 172.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.25 0.1 OUTLIER -120.9 130.36 53.86 Favored 'General case' 0 CA--C 1.559 1.296 0 N-CA-C 102.424 -3.176 . . . . 0.0 102.424 169.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -113.32 121.03 43.16 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 127.367 2.267 . . . . 0.0 106.305 -174.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 p -119.72 120.52 63.63 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.93 0 C-N-CA 126.266 1.826 . . . . 0.0 107.454 -170.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.97 138.37 43.95 Favored 'General case' 0 C--N 1.37 1.461 0 C-N-CA 117.523 -1.671 . . . . 0.0 109.818 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -138.75 90.29 0.2 Allowed Glycine 0 C--N 1.356 1.689 0 N-CA-C 107.528 -2.229 . . . . 0.0 107.528 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.71 45.26 3.37 Favored Glycine 0 C--N 1.359 1.86 0 C-N-CA 126.534 2.016 . . . . 0.0 115.673 -176.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.3 m -105.8 -48.07 3.73 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 128.0 2.52 . . . . 0.0 111.838 -177.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.3 m -163.38 153.74 15.88 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 104.181 -2.525 . . . . 0.0 104.181 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.477 ' H ' ' HD2' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -57.4 -34.61 69.07 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 130.796 3.638 . . . . 0.0 115.231 177.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.83 -35.65 81.8 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 126.945 2.098 . . . . 0.0 114.357 173.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.99 -33.52 74.47 Favored 'General case' 0 C--N 1.371 1.522 0 C-N-CA 127.919 2.488 . . . . 0.0 113.756 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.1 -32.41 73.78 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 126.689 1.996 . . . . 0.0 114.541 175.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -73.63 -42.45 61.43 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 128.417 2.687 . . . . 0.0 111.137 174.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -67.06 -50.87 60.39 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 127.864 2.466 . . . . 0.0 112.871 176.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.355 19.6 pt -62.11 -37.02 77.4 Favored 'Isoleucine or valine' 0 C--N 1.373 1.62 0 C-N-CA 125.857 1.663 . . . . 0.0 114.851 175.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.1 t -62.45 -50.72 70.34 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 127.601 2.361 . . . . 0.0 112.698 169.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.2 m -61.04 -42.0 97.65 Favored 'General case' 0 C--N 1.37 1.498 0 C-N-CA 127.734 2.414 . . . . 0.0 112.553 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.463 HH12 HG11 ' A' ' 28' ' ' VAL . 22.9 ttp180 -66.31 -46.91 75.27 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 129.365 3.066 . . . . 0.0 112.92 173.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.426 3.5 p -70.31 -40.8 78.27 Favored 'Isoleucine or valine' 0 C--N 1.37 1.495 0 O-C-N 119.568 -1.957 . . . . 0.0 116.051 175.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.411 1.5 pp -68.8 -33.18 73.42 Favored 'General case' 0 C--N 1.382 1.999 0 O-C-N 119.063 -2.273 . . . . 0.0 113.862 172.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -63.51 -47.2 82.68 Favored 'General case' 0 C--N 1.377 1.77 0 CA-C-O 116.774 -1.584 . . . . 0.0 111.994 170.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.427 ' HB1' ' CD2' ' A' ' 21' ' ' TYR . . . -54.45 -47.88 72.39 Favored 'General case' 0 C--N 1.375 1.712 0 C-N-CA 126.892 2.077 . . . . 0.0 115.636 169.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.6 mt -55.89 -38.69 70.51 Favored 'General case' 0 C--N 1.379 1.853 0 C-N-CA 126.805 2.042 . . . . 0.0 115.673 176.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.576 0.2 OUTLIER -107.85 10.35 28.63 Favored 'General case' 0 C--N 1.368 1.406 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 169.094 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -47.21 22.23 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 124.281 1.991 . . . . 0.0 107.247 177.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.463 ' HD3' ' HB2' ' A' ' 20' ' ' SER . 16.3 tttm -118.81 123.43 29.05 Favored Pre-proline 0 N--CA 1.429 -1.5 0 N-CA-C 102.043 -3.317 . . . . 0.0 102.043 176.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.4 151.36 25.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 124.217 3.278 . . . . 0.0 111.192 -175.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.37 106.64 18.38 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-O 124.443 2.068 . . . . 0.0 108.711 178.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 61.9 ttp -143.28 141.66 31.09 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 102.899 -3.0 . . . . 0.0 102.899 -175.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -127.98 113.31 15.67 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.021 1.329 . . . . 0.0 107.599 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 67.82 12.85 9.02 Favored 'General case' 0 C--N 1.362 1.118 0 C-N-CA 130.328 3.451 . . . . 0.0 115.797 175.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.15 -2.21 35.2 Favored Glycine 0 C--N 1.352 1.418 0 C-N-CA 126.204 1.859 . . . . 0.0 111.614 -171.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -90.49 124.32 34.9 Favored 'General case' 0 C--N 1.368 1.402 0 CA-C-N 119.262 1.531 . . . . 0.0 110.977 -178.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.1 m -108.8 153.83 22.93 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 125.11 1.364 . . . . 0.0 110.227 -176.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.469 ' CE1' ' HB3' ' A' ' 10' ' ' LEU . 10.7 m-85 -131.0 156.18 45.57 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 125.62 1.568 . . . . 0.0 107.189 -173.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.8 t -106.54 119.98 56.91 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 -176.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.46 115.72 20.92 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 124.282 1.033 . . . . 0.0 110.478 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.3 tttm . . . . . 0 C--N 1.358 0.937 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -171.873 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 . . . . . 0 N--CA 1.441 -0.881 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -119.17 123.26 5.6 Favored Glycine 0 C--N 1.364 2.114 0 N-CA-C 105.823 -2.911 . . . . 0.0 105.823 172.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 20.3 tt -117.59 115.77 49.68 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 N-CA-C 103.85 -2.648 . . . . 0.0 103.85 178.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 48.5 mt -119.54 118.83 58.6 Favored 'Isoleucine or valine' 0 C--N 1.364 1.239 0 N-CA-C 106.071 -1.825 . . . . 0.0 106.071 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.4 tttp -107.1 139.52 41.39 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 173.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 62.0 t -126.5 141.1 46.95 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 169.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -112.88 133.94 54.62 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 128.385 2.674 . . . . 0.0 105.254 173.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -130.11 125.57 35.45 Favored 'General case' 0 CA--C 1.5 -0.98 0 N-CA-C 102.557 -3.127 . . . . 0.0 102.557 -177.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 37.3 m -120.62 141.04 50.71 Favored 'General case' 0 C--N 1.343 0.295 0 N-CA-C 105.173 -2.158 . . . . 0.0 105.173 -177.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.1 pt . . . . . 0 CA--C 1.502 -0.898 0 N-CA-C 104.277 -2.49 . . . . 0.0 104.277 178.485 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 . . . . . 0 N--CA 1.441 -0.884 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -134.79 62.88 0.61 Allowed Glycine 0 C--N 1.352 1.443 0 C-N-CA 126.765 2.126 . . . . 0.0 110.868 -177.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 93.8 mt -110.5 -68.6 0.92 Allowed 'General case' 0 C--N 1.354 0.796 0 C-N-CA 124.852 1.261 . . . . 0.0 109.287 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -139.65 40.3 2.02 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.99 28.28 0.04 OUTLIER 'General case' 0 C--N 1.36 1.029 0 C-N-CA 128.488 2.715 . . . . 0.0 117.112 -176.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -107.27 -94.73 0.38 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 127.217 2.207 . . . . 0.0 108.158 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm 55.15 -88.89 0.02 OUTLIER 'General case' 0 C--N 1.355 0.847 0 C-N-CA 130.842 3.657 . . . . 0.0 115.56 177.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -25.53 60.81 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 127.571 2.349 . . . . 0.0 113.286 171.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.76 -39.99 79.99 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 125.065 1.346 . . . . 0.0 114.042 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -46.36 90.18 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 127.536 2.334 . . . . 0.0 113.837 175.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.667 1.1 tpt180 -72.55 -36.43 68.25 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-O 124.709 2.195 . . . . 0.0 114.145 176.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.64 -23.68 52.46 Favored 'General case' 0 CA--C 1.567 1.606 0 O-C-N 119.436 -2.04 . . . . 0.0 115.263 163.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.301 0.2 OUTLIER -63.6 -29.58 70.81 Favored 'General case' 0 C--N 1.385 2.136 0 O-C-N 119.019 -2.301 . . . . 0.0 113.33 165.077 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.251 2.2 tt0 -69.32 -37.14 77.59 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 126.21 1.804 . . . . 0.0 110.072 171.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -63.99 -36.86 85.36 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 166.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.0 -33.52 68.16 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 127.321 2.248 . . . . 0.0 111.679 174.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.4 ' HA ' ' OD1' ' A' ' 17' ' ' ASN . 57.1 m -70.42 -39.24 74.53 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 127.54 2.336 . . . . 0.0 110.89 173.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.1 t -65.42 -30.84 51.43 Favored 'Isoleucine or valine' 0 C--N 1.374 1.635 0 O-C-N 120.154 -1.591 . . . . 0.0 111.432 168.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -68.53 -36.18 78.47 Favored 'General case' 0 C--N 1.368 1.378 0 O-C-N 119.686 -1.884 . . . . 0.0 115.506 170.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.4 ' OD1' ' HA ' ' A' ' 14' ' ' THR 0.302 1.2 p-10 -68.82 -36.39 78.15 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 121.057 1.753 . . . . 0.0 113.371 165.651 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.03 -40.38 95.51 Favored 'General case' 0 C--N 1.376 1.734 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 171.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -77.5 -27.27 51.79 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 124.488 1.115 . . . . 0.0 113.127 173.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 m -80.89 -20.53 42.0 Favored 'General case' 0 C--N 1.378 1.823 0 O-C-N 120.624 -1.297 . . . . 0.0 113.122 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -88.69 93.13 9.46 Favored 'General case' 0 C--N 1.36 1.044 0 CA-C-O 124.658 2.17 . . . . 0.0 112.546 -178.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.289 5.4 pt20 -51.78 -39.57 62.72 Favored Pre-proline 0 C--N 1.362 1.11 0 C-N-CA 129.88 3.272 . . . . 0.0 118.363 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -65.08 -19.59 63.32 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 124.777 3.651 . . . . 0.0 115.417 169.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 tt -78.86 -43.85 24.15 Favored 'General case' 0 C--N 1.376 1.726 0 CA-C-N 122.493 2.406 . . . . 0.0 114.475 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.4 ptm -57.88 -25.97 61.48 Favored 'General case' 0 C--N 1.357 0.905 1 C-N-CA 132.048 4.139 . . . . 0.0 116.521 175.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -82.29 -22.01 35.9 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 126.207 1.803 . . . . 0.0 111.233 173.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 45.3 ttm -92.68 -30.95 15.3 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 127.893 2.477 . . . . 0.0 112.897 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.414 HG21 HG12 ' A' ' 31' ' ' VAL . 5.4 m -123.64 148.84 27.54 Favored 'Isoleucine or valine' 0 C--N 1.365 1.246 0 O-C-N 120.057 -1.652 . . . . 0.0 107.395 175.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -99.51 -8.52 24.51 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 118.84 -2.412 . . . . 0.0 109.702 170.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.524 ' HB3' ' HB2' ' A' ' 43' ' ' TYR 0.761 0.0 OUTLIER -122.88 40.96 3.57 Favored 'General case' 0 CA--C 1.478 -1.793 0 N-CA-C 121.523 3.897 . . . . 0.0 121.523 -158.834 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.414 HG12 HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -85.83 107.75 16.69 Favored 'Isoleucine or valine' 0 C--N 1.373 1.629 0 CA-C-N 123.022 2.647 . . . . 0.0 105.672 176.297 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.3 t -137.1 153.78 50.45 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 111.142 -2.754 . . . . 0.0 109.443 -173.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -92.14 45.95 1.24 Allowed 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.076 -1.64 . . . . 0.0 113.879 -178.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.429 16.9 m 116.98 -59.33 0.0 OUTLIER Pre-proline 0 C--N 1.358 0.948 0 C-N-CA 128.917 2.887 . . . . 0.0 112.779 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -72.41 136.43 26.28 Favored 'Trans proline' 0 C--N 1.359 1.126 0 CA-C-N 127.377 3.67 . . . . 0.0 114.386 -175.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.67 46.57 0.72 Allowed Glycine 0 C--N 1.355 1.629 0 N-CA-C 109.211 -1.556 . . . . 0.0 109.211 -177.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.25 -21.66 33.28 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 127.126 2.17 . . . . 0.0 112.359 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -104.74 16.02 26.81 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 129.641 3.177 . . . . 0.0 111.245 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.87 162.42 28.95 Favored Pre-proline 0 C--N 1.363 1.153 0 C-N-CA 124.729 1.211 . . . . 0.0 110.874 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -64.29 147.14 90.98 Favored 'Trans proline' 0 C--N 1.363 1.318 0 C-N-CA 124.249 3.299 . . . . 0.0 117.842 -167.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -87.04 137.41 33.14 Favored Pre-proline 0 C--N 1.35 0.595 0 C-N-CA 128.731 2.812 . . . . 0.0 111.021 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -75.84 148.22 89.8 Favored 'Cis proline' 0 C--N 1.363 1.314 0 CA-C-N 123.983 2.458 . . . . 0.0 113.447 -0.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.524 ' HB2' ' HB3' ' A' ' 30' ' ' GLN . 2.1 p90 -169.68 166.14 9.91 Favored 'General case' 0 CA--C 1.579 2.084 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 -175.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 p -138.97 135.05 42.53 Favored 'Isoleucine or valine' 0 C--N 1.407 3.076 0 N-CA-C 117.736 2.495 . . . . 0.0 117.736 -176.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.1 m -115.15 140.41 36.61 Favored 'Isoleucine or valine' 0 C--N 1.36 1.031 0 O-C-N 119.359 -2.088 . . . . 0.0 110.543 171.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 52.1 mt -96.44 138.96 20.32 Favored 'Isoleucine or valine' 0 C--N 1.366 1.293 0 C-N-CA 126.715 2.006 . . . . 0.0 109.958 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 179.24 -124.85 0.93 Allowed Glycine 0 C--N 1.365 2.139 0 C-N-CA 124.762 1.172 . . . . 0.0 114.44 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -145.14 162.14 37.78 Favored 'General case' 0 C--N 1.368 1.412 0 C-N-CA 127.219 2.207 . . . . 0.0 108.589 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -110.66 137.79 47.88 Favored 'General case' 0 C--N 1.362 1.141 0 C-N-CA 125.087 1.355 . . . . 0.0 110.682 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.4 t 60.06 -140.63 0.61 Allowed 'General case' 0 C--N 1.366 1.296 0 C-N-CA 128.174 2.59 . . . . 0.0 115.719 177.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.8 t -99.43 49.59 0.94 Allowed 'General case' 0 C--N 1.356 0.86 0 C-N-CA 126.479 1.912 . . . . 0.0 109.123 174.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.6 m -68.88 -60.7 4.17 Favored Pre-proline 0 C--N 1.366 1.286 0 C-N-CA 127.273 2.229 . . . . 0.0 112.18 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -81.16 113.93 2.76 Favored 'Trans proline' 0 CA--C 1.549 1.234 0 CA-C-N 125.896 3.142 . . . . 0.0 110.58 170.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -126.54 122.4 35.03 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 125.373 1.469 . . . . 0.0 108.364 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . 0.267 46.9 mt-10 75.8 -40.74 0.41 Allowed 'General case' 0 C--N 1.365 1.274 0 C-N-CA 128.193 2.597 . . . . 0.0 114.714 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.4 t -133.21 160.91 35.88 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 128.564 2.746 . . . . 0.0 105.235 174.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -111.22 21.08 16.71 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 125.026 1.331 . . . . 0.0 110.393 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.7 p -101.75 106.73 17.78 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 126.887 2.075 . . . . 0.0 114.768 -175.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.3 m -59.97 56.11 0.01 OUTLIER 'General case' 0 C--N 1.363 1.163 0 C-N-CA 130.353 3.461 . . . . 0.0 118.803 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . 0.278 22.9 t80 87.45 -74.14 0.02 OUTLIER 'General case' 0 C--N 1.356 0.864 0 C-N-CA 129.537 3.135 . . . . 0.0 112.692 177.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -167.88 -77.16 0.04 OUTLIER Glycine 0 C--N 1.349 1.251 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -178.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -91.12 71.25 6.3 Favored 'General case' 0 C--N 1.358 0.939 0 C-N-CA 127.315 2.246 . . . . 0.0 112.199 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -164.31 150.25 10.74 Favored 'General case' 0 N--CA 1.447 -0.587 0 O-C-N 120.415 -1.428 . . . . 0.0 110.139 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.25 131.65 72.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 C-N-CA 131.191 3.796 . . . . 0.0 102.741 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.2 m -131.54 136.11 47.59 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 118.888 -2.383 . . . . 0.0 109.229 -176.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.7 ttt -145.93 126.71 14.38 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 124.632 1.173 . . . . 0.0 110.278 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -116.73 151.06 37.18 Favored 'General case' 0 C--N 1.361 1.076 0 CA-C-O 122.74 1.257 . . . . 0.0 108.281 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -129.09 133.97 47.89 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 128.169 2.587 . . . . 0.0 105.729 -178.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.558 ' HD1' HG12 ' A' ' 124' ' ' ILE . 32.6 m-70 -126.21 119.13 26.68 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 125.462 1.505 . . . . 0.0 107.107 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.1 t -120.72 128.65 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.062 0 C-N-CA 124.906 1.282 . . . . 0.0 109.274 -170.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -122.19 106.63 11.31 Favored 'General case' 0 C--N 1.362 1.147 0 N-CA-C 106.86 -1.534 . . . . 0.0 106.86 173.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -85.91 -53.51 2.99 Favored Glycine 0 C--N 1.364 2.105 0 C-N-CA 126.831 2.158 . . . . 0.0 109.749 176.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.6 40.18 15.94 Favored Glycine 0 C--N 1.365 2.162 0 C-N-CA 126.39 1.948 . . . . 0.0 116.034 175.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.6 p -127.64 -119.52 0.25 Allowed 'General case' 0 C--N 1.358 0.973 0 CA-C-N 118.54 1.17 . . . . 0.0 111.162 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 p -122.39 168.92 11.49 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 127.019 2.127 . . . . 0.0 111.204 -172.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.05 -36.08 37.92 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 131.009 3.724 . . . . 0.0 119.26 -166.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.19 -35.64 78.31 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 127.787 2.435 . . . . 0.0 114.463 175.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -71.03 -33.08 69.98 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 126.691 1.996 . . . . 0.0 113.265 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.57 78.51 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 126.369 1.868 . . . . 0.0 113.686 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -77.45 -33.94 54.58 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 124.845 1.258 . . . . 0.0 112.309 172.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -66.42 -46.0 77.98 Favored 'General case' 0 C--N 1.372 1.582 0 C-N-CA 126.43 1.892 . . . . 0.0 112.812 171.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.7 pt -65.75 -42.76 93.12 Favored 'Isoleucine or valine' 0 C--N 1.373 1.596 0 CA-C-N 121.255 1.843 . . . . 0.0 113.838 173.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . 0.346 68.6 p -68.59 -44.04 75.21 Favored 'General case' 0 C--N 1.376 1.753 0 C-N-CA 125.965 1.706 . . . . 0.0 113.853 175.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.9 t -68.2 -36.16 79.13 Favored 'General case' 0 C--N 1.371 1.531 0 O-C-N 119.956 -1.715 . . . . 0.0 113.105 172.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -66.42 -42.94 87.02 Favored 'General case' 0 C--N 1.371 1.502 0 C-N-CA 125.048 1.339 . . . . 0.0 112.681 174.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.351 0.7 OUTLIER -64.64 -43.2 96.67 Favored 'Isoleucine or valine' 0 C--N 1.382 2.016 0 CA-C-N 120.375 1.443 . . . . 0.0 113.877 173.116 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.5 mp -71.54 -36.8 71.11 Favored 'General case' 0 C--N 1.378 1.844 0 O-C-N 119.233 -2.167 . . . . 0.0 113.016 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.31 -34.3 75.01 Favored 'General case' 0 C--N 1.38 1.908 0 C-N-CA 126.362 1.865 . . . . 0.0 112.28 172.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.25 -51.67 50.2 Favored 'General case' 0 C--N 1.372 1.567 0 CA-C-O 122.055 0.931 . . . . 0.0 111.691 167.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.3 mp -49.76 -30.15 8.98 Favored 'General case' 0 C--N 1.374 1.659 0 C-N-CA 128.939 2.895 . . . . 0.0 118.05 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.352 0.2 OUTLIER -117.97 9.53 12.83 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 124.921 1.289 . . . . 0.0 112.039 169.347 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -49.86 36.25 Favored 'General case' 0 C--N 1.372 1.572 0 O-C-N 119.02 -2.3 . . . . 0.0 107.578 176.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.348 5.7 ptpt -115.52 122.31 33.14 Favored Pre-proline 0 C--N 1.356 0.89 0 N-CA-C 104.641 -2.355 . . . . 0.0 104.641 171.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -62.11 147.83 94.33 Favored 'Trans proline' 0 C--N 1.37 1.688 0 C-N-CA 124.73 3.62 . . . . 0.0 115.109 -173.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 60.8 mt -83.22 107.79 16.01 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-O 123.949 1.833 . . . . 0.0 115.542 -172.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 46.3 ttm -143.62 153.48 42.57 Favored 'General case' 0 N--CA 1.424 -1.731 0 N-CA-C 105.19 -2.152 . . . . 0.0 105.19 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -133.49 145.83 50.54 Favored 'General case' 0 N--CA 1.442 -0.863 1 C-N-CA 131.9 4.08 . . . . 0.0 101.167 178.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -49.64 77.59 0.0 OUTLIER 'General case' 0 C--N 1.349 0.58 1 C-N-CA 133.45 4.7 . . . . 0.0 117.157 -173.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 106.96 -6.4 37.27 Favored Glycine 0 C--N 1.353 1.512 0 C-N-CA 127.61 2.529 . . . . 0.0 112.651 -175.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -122.35 125.47 46.01 Favored 'General case' 0 C--N 1.367 1.356 0 CA-C-N 118.708 1.254 . . . . 0.0 114.262 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.1 m -115.3 144.02 44.39 Favored 'General case' 0 C--N 1.364 1.202 0 O-C-N 120.003 -1.686 . . . . 0.0 110.261 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.22 143.72 27.2 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 129.972 3.309 . . . . 0.0 104.319 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 37.7 t -114.99 139.67 40.05 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 C-N-CA 126.683 1.993 . . . . 0.0 109.008 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.62 108.82 14.59 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 125.029 1.332 . . . . 0.0 109.37 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -141.76 98.18 3.29 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 125.651 1.58 . . . . 0.0 107.6 -170.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -160.02 163.87 33.67 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 125.549 1.54 . . . . 0.0 107.792 -175.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -132.14 115.99 16.44 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 126.419 1.888 . . . . 0.0 107.272 177.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.2 m -149.06 173.07 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.056 0 C-N-CA 126.39 1.876 . . . . 0.0 107.328 -175.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.9 tp -156.16 144.27 19.77 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 174.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.24 123.34 24.12 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 101.541 -3.503 . . . . 0.0 101.541 174.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -100.3 136.5 40.09 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 124.912 1.285 . . . . 0.0 110.666 -174.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 34.8 m -100.2 119.4 48.22 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 C-N-CA 125.311 1.444 . . . . 0.0 108.326 177.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.2 pt -141.15 156.87 22.17 Favored 'Isoleucine or valine' 0 C--N 1.359 0.985 0 O-C-N 120.137 -1.602 . . . . 0.0 110.796 -175.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 59.8 m -120.14 122.86 41.95 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 104.924 -2.25 . . . . 0.0 104.924 177.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -116.87 147.01 42.55 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 120.636 -1.29 . . . . 0.0 111.08 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.1 p -62.46 -20.45 64.55 Favored 'General case' 0 C--N 1.361 1.09 1 C-N-CA 131.881 4.073 . . . . 0.0 115.53 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -85.56 -13.32 49.24 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 128.288 2.635 . . . . 0.0 112.968 176.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.71 48.07 4.32 Favored Glycine 0 C--N 1.37 2.456 0 N-CA-C 117.885 1.914 . . . . 0.0 117.885 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 6.4 p -81.82 148.83 5.09 Favored 'Isoleucine or valine' 0 C--N 1.36 1.059 0 C-N-CA 125.891 1.676 . . . . 0.0 113.517 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.43 ' HG1' ' CD2' ' A' ' 122' ' ' HIS . 3.6 t -73.12 151.27 41.66 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 128.478 2.711 . . . . 0.0 110.765 174.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.42 115.02 26.75 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-O 123.327 1.537 . . . . 0.0 110.676 173.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.43 ' CD2' ' HG1' ' A' ' 120' ' ' THR . 54.1 m170 -128.87 148.92 50.94 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 128.166 2.586 . . . . 0.0 108.051 -177.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -122.18 124.26 5.68 Favored Glycine 0 C--N 1.357 1.716 0 N-CA-C 108.002 -2.039 . . . . 0.0 108.002 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.558 HG12 ' HD1' ' A' ' 69' ' ' HIS . 0.1 OUTLIER -116.22 118.76 59.84 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 N-CA-C 102.884 -3.006 . . . . 0.0 102.884 177.188 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.8 127.13 75.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 -173.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -123.49 120.28 32.45 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 18.0 t -125.47 141.61 44.81 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 CA-C-O 122.87 1.319 . . . . 0.0 108.001 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -132.54 140.25 48.22 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 126.432 1.893 . . . . 0.0 106.051 175.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -123.83 139.73 53.68 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 102.581 -3.118 . . . . 0.0 102.581 -176.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 52.5 m -122.77 137.77 54.83 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 121.241 0.543 . . . . 0.0 109.815 -172.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.1 pt -107.26 115.09 47.84 Favored 'Isoleucine or valine' 0 C--N 1.361 1.095 0 N-CA-C 100.833 -3.765 . . . . 0.0 100.833 171.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -165.3 -56.76 0.03 OUTLIER 'General case' 0 C--N 1.348 0.507 0 N-CA-C 104.239 -2.504 . . . . 0.0 104.239 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -134.13 66.71 1.53 Allowed 'General case' 0 C--N 1.362 1.132 0 N-CA-C 104.923 -2.251 . . . . 0.0 104.923 172.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -92.95 75.87 4.78 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 127.043 2.137 . . . . 0.0 112.848 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 61.5 p -66.14 93.36 0.2 Allowed 'General case' 0 C--N 1.353 0.724 0 C-N-CA 128.599 2.759 . . . . 0.0 115.202 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 1.365 0 N-CA-C 107.806 -2.118 . . . . 0.0 107.806 177.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 . . . . . 0 N--CA 1.439 -1.024 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -111.02 -20.53 7.11 Favored Glycine 0 C--N 1.353 1.488 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 163.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 3.0 pp -125.3 19.78 8.16 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 121.229 -1.159 . . . . 0.0 113.485 -175.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . 0.258 33.4 mt-30 73.13 77.09 0.14 Allowed 'General case' 0 C--N 1.36 1.059 0 C-N-CA 127.748 2.419 . . . . 0.0 113.917 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.4 m -104.52 128.42 52.47 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 125.863 1.665 . . . . 0.0 109.217 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -113.81 179.7 3.88 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 119.715 1.143 . . . . 0.0 109.711 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.287 56.2 tttm 74.5 -52.31 0.68 Allowed 'General case' 0 C--N 1.363 1.17 0 C-N-CA 127.777 2.431 . . . . 0.0 116.041 -178.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.5 tp -72.47 -25.5 61.45 Favored 'General case' 0 C--N 1.378 1.816 0 C-N-CA 126.201 1.8 . . . . 0.0 111.735 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.71 -35.07 68.09 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 129.132 2.973 . . . . 0.0 114.563 174.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 63.9 m -65.89 -48.2 72.28 Favored 'General case' 0 C--N 1.376 1.722 0 C-N-CA 126.062 1.745 . . . . 0.0 112.48 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.889 7.2 tpp85 -74.55 -37.03 63.11 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 118.631 -2.543 . . . . 0.0 117.576 170.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.85 -23.78 20.08 Favored 'General case' 0 CA--C 1.558 1.266 0 O-C-N 118.593 -2.567 . . . . 0.0 115.447 169.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 tp -60.11 -37.29 79.56 Favored 'General case' 0 C--N 1.375 1.681 0 C-N-CA 127.211 2.204 . . . . 0.0 112.505 163.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.28 -38.01 81.26 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 127.183 2.193 . . . . 0.0 110.251 176.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.464 0.0 OUTLIER -67.29 -30.76 70.7 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 116.427 2.01 . . . . 0.0 116.427 166.128 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.13 -33.83 68.1 Favored 'General case' 0 C--N 1.366 1.31 0 O-C-N 119.544 -1.972 . . . . 0.0 113.313 172.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.4 m -71.3 -34.87 71.01 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 128.709 2.804 . . . . 0.0 112.08 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.4 t -68.66 -31.21 49.99 Favored 'Isoleucine or valine' 0 C--N 1.37 1.46 0 C-N-CA 126.509 1.924 . . . . 0.0 109.157 168.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -67.22 -31.81 72.43 Favored 'General case' 0 C--N 1.372 1.587 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 169.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -59.77 -49.92 75.83 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 125.435 1.494 . . . . 0.0 113.131 161.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.5 mp -55.93 -37.3 68.78 Favored 'General case' 0 C--N 1.369 1.446 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -90.18 -15.32 31.71 Favored 'General case' 0 C--N 1.369 1.417 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 173.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -90.95 -25.38 19.79 Favored 'General case' 0 C--N 1.381 1.971 0 CA-C-N 121.524 1.965 . . . . 0.0 110.805 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.436 ' HB2' ' CD2' ' A' ' 92' ' ' TYR . 16.4 t80 -75.91 103.34 5.94 Favored 'General case' 0 C--N 1.364 1.206 0 CA-C-O 122.931 1.348 . . . . 0.0 112.576 177.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -40.0 -49.44 5.99 Favored Pre-proline 0 C--N 1.364 1.199 1 C-N-CA 132.324 4.249 . . . . 0.0 117.864 -172.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.94 -22.85 62.4 Favored 'Trans proline' 0 C--N 1.358 1.037 0 C-N-CA 124.686 3.59 . . . . 0.0 114.808 173.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.8 mt -69.35 -20.97 63.84 Favored 'General case' 0 C--N 1.373 1.627 0 CA-C-N 121.851 2.114 . . . . 0.0 114.381 177.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 59.4 mtt -64.7 -29.77 70.77 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 128.127 2.571 . . . . 0.0 113.157 172.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -95.21 -30.14 14.15 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 128.169 2.588 . . . . 0.0 112.377 176.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.5 tpp -88.25 -31.05 19.23 Favored 'General case' 0 C--N 1.362 1.112 0 N-CA-C 119.028 2.973 . . . . 0.0 119.028 -173.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 p -131.03 147.15 33.06 Favored 'Isoleucine or valine' 0 C--N 1.367 1.347 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.25 8.9 t-20 -99.68 -27.18 13.79 Favored 'General case' 0 C--N 1.361 1.098 0 CA-C-O 124.708 2.194 . . . . 0.0 111.77 173.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.453 8.5 mm100 -120.74 39.91 3.66 Favored 'General case' 0 N--CA 1.423 -1.81 1 C-N-CA 133.152 4.581 . . . . 0.0 116.284 -152.101 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 p -87.63 110.05 20.25 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 CA-C-O 124.724 2.202 . . . . 0.0 107.032 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.0 t -142.02 149.02 39.44 Favored 'General case' 0 C--N 1.348 0.5 0 CA-C-N 112.315 -2.22 . . . . 0.0 109.428 -169.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -84.34 53.35 2.61 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -176.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.639 93.2 p 110.59 -60.65 0.0 OUTLIER Pre-proline 0 C--N 1.354 0.795 0 C-N-CA 128.677 2.791 . . . . 0.0 114.207 178.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -70.11 148.14 62.12 Favored 'Trans proline' 0 C--N 1.361 1.215 0 CA-C-N 127.444 3.694 . . . . 0.0 113.91 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.64 26.1 5.73 Favored Glycine 0 C--N 1.36 1.872 0 CA-C-N 119.221 0.919 . . . . 0.0 111.081 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -20.3 62.33 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 130.81 3.644 . . . . 0.0 113.669 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -106.46 15.33 26.09 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 127.735 2.414 . . . . 0.0 112.245 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.2 169.71 8.28 Favored Pre-proline 0 C--N 1.365 1.245 0 CA-C-O 117.082 -1.437 . . . . 0.0 111.536 -177.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.58 143.83 93.84 Favored 'Trans proline' 0 C--N 1.366 1.466 0 C-N-CA 125.208 3.939 . . . . 0.0 120.963 -168.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -91.26 137.8 26.02 Favored Pre-proline 0 C--N 1.356 0.886 0 C-N-CA 129.402 3.081 . . . . 0.0 112.009 -176.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.2 148.58 92.27 Favored 'Cis proline' 0 C--N 1.365 1.432 0 CA-C-N 123.916 2.434 . . . . 0.0 113.14 -3.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -171.46 167.15 6.81 Favored 'General case' 0 C--N 1.368 1.383 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -173.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.3 p -138.87 135.23 42.83 Favored 'Isoleucine or valine' 0 C--N 1.395 2.574 0 N-CA-C 117.523 2.416 . . . . 0.0 117.523 -176.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.1 m -113.05 134.76 54.68 Favored 'Isoleucine or valine' 0 C--N 1.366 1.309 0 O-C-N 120.198 -1.564 . . . . 0.0 108.674 168.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.9 mm -88.05 135.02 26.49 Favored 'Isoleucine or valine' 0 C--N 1.366 1.31 0 C-N-CA 127.262 2.225 . . . . 0.0 107.246 175.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -165.59 -142.33 3.39 Favored Glycine 0 C--N 1.347 1.192 0 O-C-N 120.236 -1.54 . . . . 0.0 112.389 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -145.33 144.22 30.59 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 125.172 1.389 . . . . 0.0 110.739 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -91.66 144.2 25.77 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 127.453 2.301 . . . . 0.0 108.024 176.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.2 p -74.94 85.42 2.25 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 125.542 1.537 . . . . 0.0 115.116 -178.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.9 m -32.67 28.95 0.0 OUTLIER 'General case' 0 C--N 1.373 1.608 2 C-N-CA 136.598 5.959 . . . . 0.0 122.155 -177.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.274 7.0 p -76.31 -58.69 1.18 Allowed Pre-proline 0 C--N 1.352 0.703 0 C-N-CA 129.877 3.271 . . . . 0.0 113.701 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -80.34 114.1 3.0 Favored 'Trans proline' 0 C--N 1.361 1.198 0 CA-C-N 126.138 3.228 . . . . 0.0 109.945 173.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.68 116.46 14.03 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 120.907 -1.121 . . . . 0.0 111.404 -176.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -120.73 -7.54 9.57 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 125.614 1.566 . . . . 0.0 114.136 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.5 p -122.36 108.68 13.5 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -151.49 111.56 4.09 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 122.958 1.361 . . . . 0.0 110.173 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.9 m 170.03 176.34 0.05 Allowed 'General case' 0 C--N 1.352 0.703 0 N-CA-C 100.306 -3.961 . . . . 0.0 100.306 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.6 t -164.71 -178.76 5.48 Favored 'General case' 0 C--N 1.358 0.96 0 CA-C-N 120.875 1.67 . . . . 0.0 108.467 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -122.53 -7.27 8.63 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 128.774 2.83 . . . . 0.0 111.278 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 169.31 -67.87 0.16 Allowed Glycine 0 C--N 1.358 1.752 0 O-C-N 120.272 -1.518 . . . . 0.0 112.089 176.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -146.33 158.63 43.91 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -134.27 152.02 51.59 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 122.877 1.322 . . . . 0.0 108.503 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mp -122.06 127.02 75.19 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 N-CA-C 100.741 -3.8 . . . . 0.0 100.741 174.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.0 t -129.96 131.6 46.0 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.2 ttt -138.58 141.52 39.2 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 127.033 2.133 . . . . 0.0 107.984 -173.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.35 163.16 28.47 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-O 122.701 1.239 . . . . 0.0 109.352 177.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -135.55 141.86 45.28 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 126.447 1.899 . . . . 0.0 106.523 173.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -113.3 119.06 36.38 Favored 'General case' 0 C--N 1.363 1.184 0 N-CA-C 101.092 -3.67 . . . . 0.0 101.092 173.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.0 t -123.37 129.35 74.83 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.24 0 N-CA-C 104.535 -2.395 . . . . 0.0 104.535 -169.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -124.41 121.08 33.93 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 176.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.67 140.21 14.79 Favored Glycine 0 C--N 1.362 2.0 0 C-N-CA 125.109 1.338 . . . . 0.0 113.286 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -126.28 179.16 16.41 Favored Glycine 0 C--N 1.355 1.636 0 C-N-CA 126.398 1.951 . . . . 0.0 108.496 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.294 7.5 m 87.12 -81.51 0.01 OUTLIER 'General case' 0 C--N 1.359 0.981 0 C-N-CA 129.181 2.992 . . . . 0.0 110.424 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.0 p -144.12 172.76 12.45 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -59.23 -34.8 72.64 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 129.374 3.07 . . . . 0.0 116.32 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.7 -36.23 67.81 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 127.866 2.466 . . . . 0.0 113.545 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -71.54 -33.75 69.41 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.625 1.97 . . . . 0.0 113.366 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.04 -40.59 78.49 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 128.659 2.783 . . . . 0.0 112.898 169.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -66.31 -42.64 87.99 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 126.873 2.069 . . . . 0.0 111.992 175.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -58.72 -48.19 82.01 Favored 'General case' 0 C--N 1.377 1.784 0 C-N-CA 128.862 2.865 . . . . 0.0 112.956 172.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.284 7.1 pt -58.85 -40.7 80.74 Favored 'Isoleucine or valine' 0 C--N 1.378 1.829 0 CA-C-N 121.858 2.117 . . . . 0.0 113.496 172.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . 0.269 49.7 p -64.56 -46.73 81.52 Favored 'General case' 0 C--N 1.378 1.841 0 O-C-N 120.395 -1.441 . . . . 0.0 114.722 171.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.8 p -68.31 -39.13 82.12 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 126.147 1.779 . . . . 0.0 115.125 176.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 65.7 mmt-85 -71.41 -34.17 70.1 Favored 'General case' 0 C--N 1.378 1.822 0 C-N-CA 125.417 1.487 . . . . 0.0 112.84 173.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.417 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 46.8 t -67.51 -49.46 70.79 Favored 'Isoleucine or valine' 0 C--N 1.38 1.901 0 O-C-N 120.471 -1.393 . . . . 0.0 112.523 173.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.84 -40.33 97.11 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 119.598 -1.938 . . . . 0.0 113.187 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -62.25 -37.85 87.02 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 126.862 2.065 . . . . 0.0 112.679 170.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.41 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -62.3 -50.02 73.33 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 125.817 1.647 . . . . 0.0 112.131 171.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 86' ' ' VAL . 45.8 mt -49.45 -47.36 48.33 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 126.914 2.086 . . . . 0.0 115.401 177.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.466 0.2 OUTLIER -97.96 9.3 43.11 Favored 'General case' 0 C--N 1.375 1.678 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 167.511 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.436 ' CD2' ' HB2' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -71.3 -54.83 9.49 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 118.109 -2.869 . . . . 0.0 108.782 175.02 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.259 12.5 ptpt -111.71 146.82 35.49 Favored Pre-proline 0 C--N 1.369 1.422 0 C-N-CA 117.759 -1.576 . . . . 0.0 112.343 -178.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.34 125.68 10.97 Favored 'Trans proline' 0 C--N 1.369 1.627 0 C-N-CA 124.17 3.246 . . . . 0.0 111.318 -176.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.36 107.77 4.48 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 124.996 1.318 . . . . 0.0 112.109 -178.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 52.4 ttm -143.92 142.06 30.57 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 125.247 1.419 . . . . 0.0 108.02 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -136.97 111.91 8.91 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 104.38 -2.452 . . . . 0.0 104.38 176.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 59.31 28.58 17.95 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 129.775 3.23 . . . . 0.0 116.076 171.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.07 -0.71 64.41 Favored Glycine 0 C--N 1.354 1.534 0 C-N-CA 126.828 2.156 . . . . 0.0 113.009 -172.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -100.96 125.15 47.54 Favored 'General case' 0 C--N 1.364 1.198 0 CA-C-N 120.483 2.141 . . . . 0.0 110.302 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.2 p -97.82 144.09 27.77 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 128.328 2.651 . . . . 0.0 114.313 -175.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.96 140.51 38.28 Favored 'General case' 0 C--N 1.359 1.016 0 N-CA-C 105.198 -2.149 . . . . 0.0 105.198 177.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.2 t -106.62 119.13 55.61 Favored 'Isoleucine or valine' 0 C--N 1.36 1.028 0 C-N-CA 125.888 1.675 . . . . 0.0 109.407 -169.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.26 138.06 35.78 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 116.654 2.094 . . . . 0.0 116.654 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -104.31 108.32 19.66 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 101.254 -3.61 . . . . 0.0 101.254 166.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -70.13 -38.81 75.62 Favored 'General case' 0 C--N 1.369 1.434 0 N-CA-C 116.78 2.141 . . . . 0.0 116.78 -171.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.1 tp 69.0 67.51 0.28 Allowed 'General case' 0 C--N 1.363 1.187 0 C-N-CA 127.707 2.403 . . . . 0.0 111.464 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.6 t -74.19 54.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.365 1.247 0 C-N-CA 128.1 2.56 . . . . 0.0 113.968 -172.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.6 tp -106.08 61.63 0.65 Allowed 'General case' 0 C--N 1.356 0.879 0 C-N-CA 126.691 1.997 . . . . 0.0 108.662 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.42 79.1 9.57 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 127.15 2.18 . . . . 0.0 112.508 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -75.97 116.77 17.0 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 127.457 2.303 . . . . 0.0 113.254 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.5 t -100.11 122.54 52.13 Favored 'Isoleucine or valine' 0 C--N 1.359 0.991 0 C-N-CA 126.481 1.912 . . . . 0.0 107.599 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.64 137.18 51.58 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 C-N-CA 124.6 1.16 . . . . 0.0 108.359 -176.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 34.1 p -96.38 119.62 35.19 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 127.299 2.24 . . . . 0.0 111.449 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -101.36 125.26 47.98 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 124.943 1.297 . . . . 0.0 108.2 178.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.6 p -71.82 -27.81 63.16 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 127.073 2.149 . . . . 0.0 116.587 -175.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -90.26 -9.73 46.88 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.209 1.404 . . . . 0.0 112.976 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.49 -0.76 85.45 Favored Glycine 0 C--N 1.364 2.086 0 C-N-CA 124.99 1.281 . . . . 0.0 114.716 -177.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 9.6 p -85.46 144.13 10.22 Favored 'Isoleucine or valine' 0 C--N 1.362 1.15 0 C-N-CA 127.912 2.485 . . . . 0.0 111.18 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 19.1 p -90.08 151.31 21.68 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 129.413 3.085 . . . . 0.0 114.133 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -110.19 141.38 43.2 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 126.874 2.07 . . . . 0.0 107.418 174.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -93.31 143.06 26.63 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 126.856 2.062 . . . . 0.0 109.765 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -132.55 168.13 22.84 Favored Glycine 0 C--N 1.359 1.808 0 CA-C-O 122.392 0.995 . . . . 0.0 114.147 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 7.0 tt -126.6 140.18 49.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 N-CA-C 104.032 -2.581 . . . . 0.0 104.032 171.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 11.7 tt -140.54 138.28 35.98 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -112.13 141.02 46.33 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 126.313 1.845 . . . . 0.0 111.164 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.9 p -123.36 142.01 41.57 Favored 'Isoleucine or valine' 0 C--N 1.363 1.155 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -126.55 140.31 52.55 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 125.716 1.606 . . . . 0.0 109.554 -177.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -131.1 141.42 50.15 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 119.578 -1.951 . . . . 0.0 107.009 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.1 p -111.64 145.08 39.85 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 128.458 2.703 . . . . 0.0 109.252 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 16.3 pt -82.5 144.09 10.87 Favored 'Isoleucine or valine' 0 C--N 1.365 1.27 0 O-C-N 120.478 -1.388 . . . . 0.0 113.906 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -168.53 -165.1 0.55 Allowed 'General case' 0 C--N 1.352 0.715 0 N-CA-C 101.393 -3.558 . . . . 0.0 101.393 177.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -90.26 -64.35 1.15 Allowed 'General case' 0 C--N 1.363 1.167 0 CA-C-N 120.012 1.278 . . . . 0.0 111.236 174.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -158.61 167.27 30.01 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 99.3 m -104.75 131.39 52.26 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 175.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.361 1.95 0 C-N-CA 125.045 1.307 . . . . 0.0 112.725 -178.251 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 . . . . . 0 N--CA 1.44 -0.96 0 CA-C-O 122.311 1.053 . . . . 0.0 108.573 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 78.11 -61.95 3.73 Favored Glycine 0 C--N 1.354 1.558 0 C-N-CA 126.835 2.159 . . . . 0.0 114.878 -177.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 35.4 tp 84.77 -55.8 0.1 Allowed 'General case' 0 C--N 1.367 1.356 0 C-N-CA 129.918 3.287 . . . . 0.0 111.051 -176.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -155.97 178.06 10.71 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 p -82.81 63.62 7.02 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 126.771 2.029 . . . . 0.0 112.873 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 46.6 p-90 -94.75 127.98 41.13 Favored 'General case' 0 C--N 1.365 1.248 0 C-N-CA 127.174 2.19 . . . . 0.0 111.055 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -99.75 130.9 46.0 Favored 'General case' 0 C--N 1.348 0.515 0 C-N-CA 125.581 1.552 . . . . 0.0 109.788 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.4 tp -64.83 -33.72 76.65 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 128.482 2.713 . . . . 0.0 115.057 -177.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.4 -40.6 81.23 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 126.154 1.782 . . . . 0.0 113.823 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.409 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 59.3 m -58.56 -47.4 84.35 Favored 'General case' 0 C--N 1.381 1.941 0 C-N-CA 125.624 1.57 . . . . 0.0 113.304 176.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.652 5.6 tpt180 -73.37 -36.59 66.12 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 117.615 2.45 . . . . 0.0 117.615 169.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.15 -22.47 4.28 Favored 'General case' 0 CA--C 1.566 1.559 0 O-C-N 117.608 -3.183 . . . . 0.0 115.316 168.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 102' ' ' PHE . 7.4 tp -55.58 -38.79 69.85 Favored 'General case' 0 C--N 1.377 1.785 0 C-N-CA 126.771 2.028 . . . . 0.0 113.664 160.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -67.67 -36.9 81.56 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 129.068 2.947 . . . . 0.0 109.84 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -64.57 -35.64 81.65 Favored 'General case' 0 CA--C 1.559 1.305 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 166.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.29 -33.0 67.09 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.709 2.404 . . . . 0.0 113.199 172.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 48.6 m -70.98 -39.73 72.31 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 129.398 3.079 . . . . 0.0 110.03 173.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 t -66.0 -31.57 54.28 Favored 'Isoleucine or valine' 0 C--N 1.379 1.88 0 C-N-CA 125.847 1.659 . . . . 0.0 110.875 168.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -68.58 -32.78 72.93 Favored 'General case' 0 C--N 1.372 1.583 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 170.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -62.27 -47.29 84.99 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 126.289 1.836 . . . . 0.0 112.515 162.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.9 mt -62.94 -32.59 73.94 Favored 'General case' 0 C--N 1.364 1.207 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 175.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -88.35 -23.18 23.47 Favored 'General case' 0 C--N 1.367 1.356 0 CA-C-O 118.484 -0.77 . . . . 0.0 112.512 172.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 t -87.28 -24.87 24.21 Favored 'General case' 0 C--N 1.385 2.112 0 CA-C-N 121.153 1.797 . . . . 0.0 112.685 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.459 ' HB2' ' CD2' ' A' ' 92' ' ' TYR . 31.0 t80 -80.91 94.88 6.58 Favored 'General case' 0 C--N 1.368 1.411 0 O-C-N 120.339 -1.476 . . . . 0.0 111.078 177.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.437 4.7 pt20 -40.63 -40.01 1.9 Allowed Pre-proline 0 C--N 1.363 1.154 0 N-CA-C 121.241 3.793 . . . . 0.0 121.241 -174.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -64.57 -20.55 65.72 Favored 'Trans proline' 0 CA--C 1.552 1.4 0 CA-C-N 126.609 3.396 . . . . 0.0 115.649 169.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.9 mt -77.19 -26.99 53.45 Favored 'General case' 0 C--N 1.373 1.62 0 CA-C-N 121.68 2.036 . . . . 0.0 112.995 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 82.4 mtp -62.71 -29.38 70.62 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 128.678 2.791 . . . . 0.0 113.942 176.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -94.9 -8.94 35.72 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 129.2 3.0 . . . . 0.0 111.588 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -99.75 -56.51 2.37 Favored 'General case' 0 C--N 1.36 1.065 0 C-N-CA 126.591 1.956 . . . . 0.0 113.01 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 p -121.12 144.38 30.34 Favored 'Isoleucine or valine' 0 C--N 1.359 1.01 0 O-C-N 119.192 -2.192 . . . . 0.0 109.304 -173.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.303 13.2 t-20 -102.21 -21.47 14.36 Favored 'General case' 0 C--N 1.35 0.607 1 C-N-CA 131.784 4.034 . . . . 0.0 114.202 -177.862 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -136.02 39.38 2.75 Favored 'General case' 0 N--CA 1.432 -1.338 1 CA-C-N 108.341 -4.027 . . . . 0.0 110.63 -148.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.1 p -91.62 108.6 20.18 Favored 'Isoleucine or valine' 0 C--N 1.368 1.396 0 CA-C-O 123.248 1.499 . . . . 0.0 109.514 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 t -146.69 170.14 17.57 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 125.094 1.357 . . . . 0.0 112.423 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -91.36 96.86 10.75 Favored 'General case' 0 C--N 1.363 1.168 0 O-C-N 119.792 -1.817 . . . . 0.0 112.477 177.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.659 85.4 p 88.19 -70.01 0.0 OUTLIER Pre-proline 0 C--N 1.36 1.06 0 N-CA-C 119.087 2.995 . . . . 0.0 119.087 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -68.59 161.45 45.11 Favored 'Trans proline' 0 C--N 1.374 1.903 1 CA-C-N 128.937 4.227 . . . . 0.0 116.129 -177.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.12 -3.43 35.35 Favored Glycine 0 C--N 1.358 1.756 0 O-C-N 121.295 -0.878 . . . . 0.0 112.13 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.67 -30.43 5.49 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 129.844 3.258 . . . . 0.0 117.92 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -105.8 16.38 25.32 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 129.573 3.149 . . . . 0.0 112.721 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.64 163.12 25.39 Favored Pre-proline 0 C--N 1.362 1.12 0 O-C-N 120.134 -1.604 . . . . 0.0 109.607 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -64.79 135.42 44.72 Favored 'Trans proline' 0 C--N 1.361 1.22 0 C-N-CA 124.701 3.601 . . . . 0.0 116.429 -174.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -71.28 139.33 84.48 Favored Pre-proline 0 C--N 1.357 0.933 1 C-N-CA 135.195 5.398 . . . . 0.0 112.252 -175.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -83.75 148.93 60.01 Favored 'Cis proline' 0 C--N 1.366 1.46 0 CA-C-N 124.917 2.792 . . . . 0.0 113.548 1.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . 0.272 14.1 p90 -171.57 168.28 6.4 Favored 'General case' 0 CA--C 1.57 1.749 0 C-N-CA 125.081 1.353 . . . . 0.0 113.675 -176.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.0 t -135.36 131.55 51.72 Favored 'Isoleucine or valine' 0 C--N 1.397 2.661 0 CA-C-O 123.798 1.761 . . . . 0.0 114.714 -172.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.4 m -116.54 132.48 66.05 Favored 'Isoleucine or valine' 0 C--N 1.359 0.999 0 O-C-N 119.797 -1.814 . . . . 0.0 108.066 169.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.5 mt -92.92 134.09 31.97 Favored 'Isoleucine or valine' 0 C--N 1.364 1.2 0 C-N-CA 126.896 2.079 . . . . 0.0 108.205 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.24 -139.05 2.86 Favored Glycine 0 C--N 1.354 1.563 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -142.76 142.86 32.0 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 125.938 1.695 . . . . 0.0 110.646 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -130.86 170.8 13.93 Favored 'General case' 0 C--N 1.364 1.223 0 N-CA-C 102.973 -2.973 . . . . 0.0 102.973 171.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.2 t -114.62 164.76 13.58 Favored 'General case' 0 C--N 1.36 1.025 0 CA-C-N 121.53 1.968 . . . . 0.0 106.419 171.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.5 t -140.19 36.44 1.91 Allowed 'General case' 0 C--N 1.361 1.071 0 CA-C-N 119.097 0.862 . . . . 0.0 110.837 -177.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.36 80.4 p 102.47 133.43 0.01 OUTLIER Pre-proline 0 C--N 1.354 0.791 0 C-N-CA 130.306 3.442 . . . . 0.0 109.972 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -81.26 146.46 15.71 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 124.01 3.14 . . . . 0.0 112.648 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -135.88 150.31 49.31 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 105.068 -2.197 . . . . 0.0 105.068 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -122.28 135.94 54.82 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 124.878 1.271 . . . . 0.0 109.49 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.1 t -165.41 179.78 5.97 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -121.11 4.35 10.38 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 127.716 2.406 . . . . 0.0 110.59 177.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.5 p -99.28 36.19 1.78 Allowed 'General case' 0 C--N 1.359 0.983 0 C-N-CA 127.039 2.136 . . . . 0.0 112.067 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.3 p -119.67 21.04 12.19 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 125.308 1.443 . . . . 0.0 112.662 -173.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -108.01 93.07 4.34 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 125.169 1.388 . . . . 0.0 110.811 -177.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 169.28 -105.4 0.22 Allowed Glycine 0 C--N 1.351 1.384 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -136.28 118.3 15.34 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 124.971 1.308 . . . . 0.0 110.88 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -139.85 160.15 40.55 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 102.073 -3.306 . . . . 0.0 102.073 173.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -137.37 122.12 24.2 Favored 'Isoleucine or valine' 0 C--N 1.359 1.021 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 -174.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.6 p -122.83 117.35 25.42 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 42.7 mtp -133.53 156.78 47.18 Favored 'General case' 0 C--N 1.365 1.273 0 CA-C-O 122.471 1.129 . . . . 0.0 112.322 -172.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -145.69 148.45 33.05 Favored 'General case' 0 C--N 1.36 1.055 0 CA-C-O 121.976 0.893 . . . . 0.0 109.709 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -115.74 135.7 53.78 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.696 -1.964 . . . . 0.0 105.696 171.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -113.42 119.39 37.45 Favored 'General case' 0 C--N 1.365 1.259 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 170.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.1 t -123.44 131.34 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.508 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -169.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -124.1 121.14 34.38 Favored 'General case' 0 C--N 1.363 1.192 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 172.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.96 -102.32 1.95 Allowed Glycine 0 C--N 1.367 2.251 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.64 75.93 1.23 Allowed Glycine 0 C--N 1.362 1.986 0 N-CA-C 116.032 1.173 . . . . 0.0 116.032 172.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 100.0 m -161.64 -74.08 0.06 Allowed 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 105.423 -2.065 . . . . 0.0 105.423 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 m -100.9 153.63 19.34 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 106.206 -1.776 . . . . 0.0 106.206 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -66.53 -45.77 78.35 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 126.258 1.823 . . . . 0.0 113.772 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.24 -33.34 58.21 Favored 'General case' 0 C--N 1.365 1.249 1 C-N-CA 133.758 4.823 . . . . 0.0 114.171 175.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -56.62 -32.61 65.47 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 130.454 3.501 . . . . 0.0 113.915 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.69 -38.81 92.51 Favored 'General case' 0 C--N 1.37 1.494 0 C-N-CA 126.123 1.769 . . . . 0.0 113.882 173.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -74.55 -36.11 63.11 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 126.48 1.912 . . . . 0.0 111.097 171.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -66.9 -47.66 71.11 Favored 'General case' 0 C--N 1.369 1.453 0 N-CA-C 114.538 1.311 . . . . 0.0 114.538 172.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.263 1.8 pt -66.85 -40.93 86.95 Favored 'Isoleucine or valine' 0 C--N 1.372 1.572 0 C-N-CA 125.539 1.535 . . . . 0.0 114.877 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.74 -36.84 78.89 Favored 'General case' 0 C--N 1.379 1.859 0 C-N-CA 124.767 1.227 . . . . 0.0 112.19 174.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.5 m -68.2 -43.82 77.23 Favored 'General case' 0 C--N 1.378 1.843 0 C-N-CA 126.431 1.892 . . . . 0.0 112.77 173.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -59.56 -46.42 88.96 Favored 'General case' 0 C--N 1.373 1.615 0 C-N-CA 128.203 2.601 . . . . 0.0 113.568 171.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.37 0.4 OUTLIER -65.47 -48.86 81.38 Favored 'Isoleucine or valine' 0 C--N 1.378 1.821 0 C-N-CA 125.137 1.375 . . . . 0.0 114.176 176.876 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.399 0.0 OUTLIER -71.93 -32.26 67.16 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-N 121.979 2.172 . . . . 0.0 114.664 174.499 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -63.95 -40.54 96.65 Favored 'General case' 0 C--N 1.385 2.147 0 C-N-CA 125.913 1.685 . . . . 0.0 111.899 174.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.56 -53.72 52.59 Favored 'General case' 0 C--N 1.375 1.693 0 C-N-CA 126.223 1.809 . . . . 0.0 111.593 168.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.4 mp -49.43 -26.04 3.0 Favored 'General case' 0 C--N 1.368 1.378 0 N-CA-C 118.163 2.653 . . . . 0.0 118.163 177.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.616 1.3 m -123.17 10.34 9.34 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 165.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.459 ' CD2' ' HB2' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -67.59 -58.11 5.28 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 128.421 2.688 . . . . 0.0 108.296 173.722 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.379 10.0 ptpt -108.48 134.22 20.32 Favored Pre-proline 0 C--N 1.371 1.52 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 176.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.92 137.0 28.61 Favored 'Trans proline' 0 C--N 1.366 1.452 0 C-N-CA 124.651 3.567 . . . . 0.0 112.408 -172.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.47 107.23 3.74 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 124.827 1.251 . . . . 0.0 113.83 -175.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 29.3 ttp -144.65 150.78 37.96 Favored 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 124.936 1.295 . . . . 0.0 109.007 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -142.5 107.35 4.89 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 105.97 -1.863 . . . . 0.0 105.97 170.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . 0.393 15.9 pt-20 60.41 -67.68 0.04 OUTLIER 'General case' 0 C--N 1.347 0.482 1 C-N-CA 134.604 5.162 . . . . 0.0 117.418 173.672 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.32 22.39 2.4 Favored Glycine 0 CA--C 1.493 -1.331 0 N-CA-C 107.302 -2.319 . . . . 0.0 107.302 176.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -122.57 125.27 45.36 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 123.59 0.756 . . . . 0.0 109.954 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.4 m -123.37 120.81 34.13 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -119.23 138.59 52.88 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 128.878 2.871 . . . . 0.0 106.905 -178.166 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.2 t -106.14 130.67 57.39 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 C-N-CA 128.071 2.548 . . . . 0.0 108.704 -171.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.19 138.23 35.84 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 -176.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -126.57 130.19 50.04 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 127.632 2.373 . . . . 0.0 107.827 176.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -149.98 131.28 14.6 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 104.389 -2.449 . . . . 0.0 104.389 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 94.3 mt -110.96 -37.1 5.48 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 125.527 1.531 . . . . 0.0 109.036 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.51 175.05 2.6 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 -177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 pp -158.07 165.45 35.0 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 100.557 -3.868 . . . . 0.0 100.557 173.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.94 133.19 45.23 Favored 'General case' 0 C--N 1.367 1.339 0 CA-C-N 121.362 1.892 . . . . 0.0 115.484 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -89.24 75.48 7.78 Favored 'General case' 0 C--N 1.363 1.156 0 O-C-N 119.651 -1.906 . . . . 0.0 110.842 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.5 t -92.92 130.07 42.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 C-N-CA 126.345 1.858 . . . . 0.0 109.491 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 15.9 mt -130.03 137.97 55.18 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 N-CA-C 104.599 -2.371 . . . . 0.0 104.599 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 32.0 m -94.36 143.87 26.03 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 129.036 2.935 . . . . 0.0 111.798 -177.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -84.49 153.81 23.09 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 126.954 2.102 . . . . 0.0 113.093 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.9 -26.36 0.97 Allowed 'General case' 0 C--N 1.362 1.122 1 C-N-CA 133.815 4.846 . . . . 0.0 119.441 -174.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -89.42 -21.72 22.89 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 125.79 1.636 . . . . 0.0 113.486 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.42 47.24 4.69 Favored Glycine 0 C--N 1.362 2.02 0 O-C-N 120.749 -1.22 . . . . 0.0 114.026 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 9.6 p -85.8 148.61 4.63 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 C-N-CA 126.319 1.847 . . . . 0.0 111.695 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.5 m -51.11 121.99 6.94 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 130.211 3.404 . . . . 0.0 115.601 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -125.17 141.93 51.8 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 120.806 -1.184 . . . . 0.0 112.286 -173.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -108.06 133.88 51.74 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 127.386 2.274 . . . . 0.0 109.665 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.38 148.13 18.82 Favored Glycine 0 C--N 1.357 1.742 0 C-N-CA 124.954 1.264 . . . . 0.0 109.966 173.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 17.0 tt -127.0 125.17 66.05 Favored 'Isoleucine or valine' 0 C--N 1.358 0.964 0 N-CA-C 105.272 -2.121 . . . . 0.0 105.272 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.0 mp -119.36 116.71 51.66 Favored 'Isoleucine or valine' 0 C--N 1.363 1.155 0 C-N-CA 125.542 1.537 . . . . 0.0 107.218 -177.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.54 128.18 54.71 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 124.966 1.306 . . . . 0.0 111.36 -177.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.35 136.32 51.2 Favored 'Isoleucine or valine' 0 C--N 1.359 1.01 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.86 139.59 50.06 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 126.736 2.014 . . . . 0.0 105.773 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -132.37 150.82 52.08 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 -175.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 86.8 m -137.73 143.98 41.47 Favored 'General case' 0 C--N 1.343 0.311 0 O-C-N 119.985 -1.697 . . . . 0.0 110.694 -174.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.0 tt -133.47 140.82 45.97 Favored 'Isoleucine or valine' 0 C--N 1.365 1.247 0 C-N-CA 126.151 1.78 . . . . 0.0 107.699 176.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -162.11 -60.94 0.05 OUTLIER 'General case' 0 C--N 1.36 1.053 0 N-CA-C 103.987 -2.597 . . . . 0.0 103.987 174.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 64.82 76.16 0.35 Allowed 'General case' 0 C--N 1.362 1.122 0 C-N-CA 130.175 3.39 . . . . 0.0 115.285 172.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -95.68 153.32 17.79 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 126.552 1.941 . . . . 0.0 113.723 -174.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 5.5 m -82.97 90.09 6.96 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 125.433 1.493 . . . . 0.0 110.415 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 1.697 0 C-N-CA 125.3 1.429 . . . . 0.0 110.791 -175.553 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 . . . . . 0 N--CA 1.438 -1.031 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -139.0 61.41 0.57 Allowed Glycine 0 CA--C 1.49 -1.479 0 N-CA-C 106.859 -2.496 . . . . 0.0 106.859 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 1.4 mt -81.62 75.79 8.55 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 125.974 1.709 . . . . 0.0 114.757 -173.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 60.56 -96.04 0.06 Allowed 'General case' 0 C--N 1.368 1.382 0 C-N-CA 129.829 3.252 . . . . 0.0 114.228 173.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 t -148.55 29.08 0.86 Allowed 'General case' 0 C--N 1.352 0.689 0 C-N-CA 126.343 1.857 . . . . 0.0 106.224 174.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -112.32 -75.36 0.61 Allowed 'General case' 0 C--N 1.361 1.07 0 C-N-CA 124.972 1.309 . . . . 0.0 110.608 -176.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -81.3 -11.32 59.37 Favored 'General case' 0 C--N 1.369 1.438 0 O-C-N 120.046 -1.659 . . . . 0.0 113.393 -177.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.5 tp -72.75 -23.66 60.86 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 128.692 2.797 . . . . 0.0 111.412 172.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.38 -36.11 82.63 Favored 'General case' 0 C--N 1.37 1.478 0 C-N-CA 126.417 1.887 . . . . 0.0 114.165 174.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.4 m -59.14 -47.44 85.28 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 127.01 2.124 . . . . 0.0 113.897 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.711 4.2 tpt180 -73.27 -37.52 66.25 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 128.802 2.841 . . . . 0.0 116.363 172.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.53 -23.06 48.23 Favored 'General case' 0 C--N 1.369 1.449 0 O-C-N 117.702 -3.124 . . . . 0.0 114.314 166.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.408 HD22 HG12 ' A' ' 64' ' ' ILE 0.361 0.1 OUTLIER -64.72 -29.59 70.58 Favored 'General case' 0 C--N 1.372 1.575 0 O-C-N 120.022 -1.673 . . . . 0.0 114.513 161.696 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.367 8.5 pt20 -64.37 -37.9 89.15 Favored 'General case' 0 C--N 1.387 2.221 0 CA-C-N 122.961 2.619 . . . . 0.0 110.398 169.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.542 0.0 OUTLIER -65.27 -30.74 71.64 Favored 'General case' 0 C--N 1.384 2.098 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 167.458 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.42 -32.63 73.64 Favored 'General case' 0 C--N 1.367 1.345 0 C-N-CA 125.652 1.581 . . . . 0.0 115.172 166.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.251 18.1 p -69.37 -45.85 68.36 Favored 'General case' 0 C--N 1.382 1.979 0 C-N-CA 124.673 1.189 . . . . 0.0 110.39 172.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.589 35.8 m -62.64 -30.21 48.74 Favored 'Isoleucine or valine' 0 C--N 1.38 1.902 0 O-C-N 120.29 -1.506 . . . . 0.0 113.678 173.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -70.06 -39.42 75.69 Favored 'General case' 0 C--N 1.378 1.836 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 166.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . 0.498 14.9 p30 -70.17 -33.76 72.14 Favored 'General case' 0 C--N 1.363 1.179 0 O-C-N 118.923 -2.36 . . . . 0.0 114.071 171.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.33 -40.79 94.15 Favored 'General case' 0 C--N 1.373 1.625 0 C-N-CA 126.714 2.006 . . . . 0.0 112.799 169.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.52 -23.34 29.82 Favored 'General case' 0 C--N 1.377 1.783 0 O-C-N 121.197 -0.939 . . . . 0.0 113.382 177.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 t -80.36 -29.35 37.93 Favored 'General case' 0 C--N 1.372 1.544 0 O-C-N 119.576 -1.953 . . . . 0.0 110.123 177.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -75.53 104.32 6.03 Favored 'General case' 0 C--N 1.368 1.4 0 CA-C-O 123.061 1.41 . . . . 0.0 114.734 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -39.64 -55.56 3.42 Favored Pre-proline 0 C--N 1.363 1.182 1 C-N-CA 132.031 4.132 . . . . 0.0 118.691 -171.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -65.34 -19.58 61.77 Favored 'Trans proline' 0 C--N 1.361 1.205 0 C-N-CA 124.739 3.626 . . . . 0.0 115.36 173.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.1 mt -75.18 -26.97 59.45 Favored 'General case' 0 C--N 1.379 1.85 0 CA-C-N 123.31 2.777 . . . . 0.0 113.356 175.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 41.4 mtp -63.24 -29.25 70.62 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 128.459 2.704 . . . . 0.0 114.736 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -94.42 -13.91 25.77 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 128.265 2.626 . . . . 0.0 112.29 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 45.0 tpp -102.16 -42.19 6.14 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.252 1.821 . . . . 0.0 115.181 -176.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 p -120.83 144.81 28.56 Favored 'Isoleucine or valine' 0 C--N 1.361 1.075 0 CA-C-O 124.461 2.077 . . . . 0.0 107.458 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -101.35 -27.74 13.0 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 129.646 3.178 . . . . 0.0 112.761 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.55 86.5 mm-40 -119.11 39.77 3.47 Favored 'General case' 0 N--CA 1.44 -0.944 1 C-N-CA 133.796 4.838 . . . . 0.0 113.553 -161.025 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.8 p -87.64 108.59 18.52 Favored 'Isoleucine or valine' 0 C--N 1.37 1.463 0 CA-C-O 124.789 2.233 . . . . 0.0 107.013 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 t -142.12 157.32 45.03 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 112.312 -2.222 . . . . 0.0 109.705 -165.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -87.46 17.42 4.53 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 116.981 2.215 . . . . 0.0 116.981 -173.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.401 3.5 t 158.22 -67.9 0.0 OUTLIER Pre-proline 0 C--N 1.368 1.398 0 C-N-CA 129.463 3.105 . . . . 0.0 112.492 174.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -73.66 136.88 24.1 Favored 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 123.757 2.972 . . . . 0.0 114.896 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.7 55.02 0.15 Allowed Glycine 0 C--N 1.366 2.209 0 N-CA-C 104.866 -3.294 . . . . 0.0 104.866 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.68 ' H ' ' HD2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -84.77 -9.28 58.34 Favored 'General case' 0 C--O 1.225 -0.195 0 C-N-CA 130.152 3.381 . . . . 0.0 112.44 -178.689 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -99.81 15.36 27.2 Favored 'General case' 0 CA--C 1.542 0.643 1 C-N-CA 131.952 4.101 . . . . 0.0 109.85 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -45.34 96.82 0.12 Allowed Pre-proline 0 CA--C 1.548 0.901 2 N-CA-C 125.477 5.362 . . . . 0.0 125.477 178.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -83.15 116.77 2.44 Favored 'Trans proline' 0 CA--C 1.557 1.669 0 CA-C-N 125.245 2.909 . . . . 0.0 107.245 159.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -79.99 149.66 70.51 Favored Pre-proline 0 CA--C 1.563 1.452 0 CA-C-N 120.428 1.467 . . . . 0.0 114.793 -171.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -71.54 153.03 96.73 Favored 'Cis proline' 0 C--N 1.363 1.312 0 CA-C-N 122.499 1.928 . . . . 0.0 114.035 3.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . 0.279 1.5 p90 -154.63 167.1 31.28 Favored 'General case' 0 C--O 1.251 1.136 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.7 t -137.78 125.97 31.69 Favored 'Isoleucine or valine' 0 C--N 1.402 2.87 0 CA-C-O 123.044 1.402 . . . . 0.0 114.737 -174.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 m -117.68 143.81 27.27 Favored 'Isoleucine or valine' 0 C--N 1.364 1.217 0 O-C-N 120.458 -1.401 . . . . 0.0 110.511 170.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.0 mm -92.19 140.13 16.72 Favored 'Isoleucine or valine' 0 C--N 1.363 1.153 0 C-N-CA 126.529 1.932 . . . . 0.0 107.51 172.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.61 -150.82 7.97 Favored Glycine 0 C--N 1.352 1.459 0 O-C-N 120.875 -1.14 . . . . 0.0 111.626 -175.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -146.05 147.72 31.92 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 104.342 -2.466 . . . . 0.0 104.342 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -97.69 140.58 31.88 Favored 'General case' 0 C--N 1.36 1.065 0 C-N-CA 124.293 1.037 . . . . 0.0 109.002 174.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.8 p -148.43 -124.7 0.05 Allowed 'General case' 0 C--N 1.357 0.903 0 O-C-N 121.182 -0.949 . . . . 0.0 111.979 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.8 m 166.9 -173.93 0.02 OUTLIER 'General case' 0 C--N 1.357 0.927 0 C-N-CA 130.39 3.476 . . . . 0.0 104.517 -177.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.18 -46.36 82.8 Favored Pre-proline 0 C--N 1.364 1.196 0 N-CA-C 121.466 3.876 . . . . 0.0 121.466 -177.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.59 114.23 3.65 Favored 'Trans proline' 0 C--N 1.363 1.334 0 C-N-CA 123.815 3.01 . . . . 0.0 111.415 177.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -103.29 135.56 44.7 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -175.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -163.42 170.0 18.09 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 104.191 -2.522 . . . . 0.0 104.191 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.7 t -160.51 167.41 27.26 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 104.542 -2.392 . . . . 0.0 104.542 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -105.82 61.73 0.66 Allowed 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.538 1.535 . . . . 0.0 110.807 -177.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 p -60.69 94.29 0.03 OUTLIER 'General case' 0 C--N 1.366 1.288 0 C-N-CA 129.059 2.944 . . . . 0.0 113.318 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.1 p -157.5 -123.39 0.02 OUTLIER 'General case' 0 C--N 1.352 0.7 0 CA-C-N 114.351 -1.295 . . . . 0.0 111.419 -168.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -152.88 170.49 20.22 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 128.069 2.548 . . . . 0.0 105.957 -176.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 169.16 -175.17 43.59 Favored Glycine 0 C--N 1.362 1.984 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -127.75 31.6 5.11 Favored 'General case' 0 C--N 1.362 1.135 0 CA-C-O 122.98 1.371 . . . . 0.0 107.777 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -126.41 165.1 19.68 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 123.343 1.544 . . . . 0.0 110.641 -174.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.408 HG12 HD22 ' A' ' 10' ' ' LEU . 3.5 mp -139.85 124.03 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.821 0 N-CA-C 102.324 -3.213 . . . . 0.0 102.324 -177.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.5 m -127.29 123.59 36.77 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 103.144 -2.91 . . . . 0.0 103.144 171.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 33.3 ttm -138.43 155.63 48.3 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 125.841 1.657 . . . . 0.0 108.987 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -133.27 156.58 47.31 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 172.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -124.2 140.01 53.38 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.474 1.91 . . . . 0.0 106.561 175.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.42 ' CD2' ' N ' ' A' ' 69' ' ' HIS . 9.7 m-70 -119.01 118.33 31.19 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 103.374 -2.824 . . . . 0.0 103.374 174.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.7 m -121.29 121.24 64.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 N-CA-C 105.098 -2.186 . . . . 0.0 105.098 -174.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -116.09 124.15 49.67 Favored 'General case' 0 C--N 1.366 1.325 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -81.81 -85.89 0.73 Allowed Glycine 0 C--N 1.364 2.139 0 C-N-CA 124.117 0.865 . . . . 0.0 114.285 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 143.04 -45.3 0.91 Allowed Glycine 0 C--N 1.354 1.539 0 O-C-N 120.732 -1.451 . . . . 0.0 112.874 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.5 p -99.14 -98.21 0.23 Allowed 'General case' 0 C--N 1.352 0.687 0 C-N-CA 125.457 1.503 . . . . 0.0 114.589 -173.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 m -113.52 158.78 20.3 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 127.209 2.203 . . . . 0.0 108.476 -174.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -52.5 -35.5 53.08 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 129.057 2.943 . . . . 0.0 116.904 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.62 -35.56 72.65 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 127.753 2.421 . . . . 0.0 114.378 173.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -71.34 -36.8 71.67 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 126.152 1.781 . . . . 0.0 112.435 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.24 -39.19 78.64 Favored 'General case' 0 C--N 1.371 1.535 0 C-N-CA 128.606 2.763 . . . . 0.0 114.481 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -70.25 -40.71 74.26 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 126.789 2.035 . . . . 0.0 110.673 172.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.53 -49.16 78.86 Favored 'General case' 0 C--N 1.384 2.072 0 C-N-CA 128.555 2.742 . . . . 0.0 113.275 173.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.301 9.4 pt -59.95 -38.14 75.25 Favored 'Isoleucine or valine' 0 C--N 1.374 1.654 0 O-C-N 120.384 -1.447 . . . . 0.0 113.87 169.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.9 p -61.21 -42.39 98.52 Favored 'General case' 0 C--N 1.38 1.893 0 CA-C-N 120.259 1.39 . . . . 0.0 113.83 170.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.0 t -62.67 -49.38 75.34 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 129.596 3.158 . . . . 0.0 112.141 174.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -69.99 -35.96 74.81 Favored 'General case' 0 C--N 1.372 1.55 0 C-N-CA 125.2 1.4 . . . . 0.0 114.652 174.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.302 0.3 OUTLIER -69.34 -42.2 81.15 Favored 'Isoleucine or valine' 0 C--N 1.379 1.859 0 C-N-CA 126.463 1.905 . . . . 0.0 113.528 176.519 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.4 mp -71.83 -42.75 66.62 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 127.493 2.317 . . . . 0.0 112.276 173.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -62.46 -34.13 76.2 Favored 'General case' 0 C--N 1.375 1.687 0 C-N-CA 125.305 1.442 . . . . 0.0 112.645 173.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.37 -48.94 68.57 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 126.579 1.952 . . . . 0.0 112.03 170.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 tp -45.53 -45.57 13.48 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 129.146 2.978 . . . . 0.0 116.457 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.376 0.2 OUTLIER -106.96 9.61 30.65 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 125.002 1.321 . . . . 0.0 113.969 172.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -73.33 -52.4 14.03 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 119.418 -2.051 . . . . 0.0 107.089 176.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.315 2.1 ptpt -116.4 117.13 38.78 Favored Pre-proline 0 C--N 1.36 1.034 0 N-CA-C 103.419 -2.808 . . . . 0.0 103.419 173.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -68.52 151.13 75.62 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 124.466 3.444 . . . . 0.0 113.473 -167.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.33 106.46 2.49 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 125.292 1.437 . . . . 0.0 112.502 -175.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.411 ' HG3' ' HG1' ' A' ' 101' ' ' THR . 19.7 ttm -144.41 143.01 30.71 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 125.865 1.666 . . . . 0.0 110.332 -178.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -151.41 107.86 3.47 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 71.79 -88.21 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.673 0 C-N-CA 131.55 3.94 . . . . 0.0 115.619 168.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -122.0 24.0 7.18 Favored Glycine 0 C--N 1.353 1.481 0 N-CA-C 108.361 -1.896 . . . . 0.0 108.361 172.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -125.48 134.9 51.88 Favored 'General case' 0 C--N 1.361 1.094 0 O-C-N 121.849 -0.795 . . . . 0.0 111.515 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.411 ' HG1' ' HG3' ' A' ' 96' ' ' MET . 58.8 m -126.4 125.74 42.68 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 103.133 -2.914 . . . . 0.0 103.133 174.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -122.43 137.81 54.74 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 -176.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.6 t -105.91 132.85 51.92 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.764 0 C-N-CA 125.713 1.605 . . . . 0.0 107.349 -171.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.6 135.54 35.56 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 124.471 1.108 . . . . 0.0 111.133 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -113.25 97.14 6.3 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 120.788 -1.195 . . . . 0.0 112.927 -171.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . 0.251 73.5 mmtt 73.02 -59.03 0.58 Allowed 'General case' 0 C--N 1.364 1.204 0 C-N-CA 127.663 2.385 . . . . 0.0 117.191 177.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . 0.275 9.1 tt 83.08 140.63 0.06 Allowed 'General case' 0 C--N 1.37 1.483 0 C-N-CA 128.608 2.763 . . . . 0.0 111.931 -176.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 24.0 t -116.36 116.42 52.21 Favored 'Isoleucine or valine' 0 C--N 1.364 1.204 0 O-C-N 120.269 -1.519 . . . . 0.0 107.762 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -149.17 112.59 4.99 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -133.27 90.74 2.77 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 104.322 -2.473 . . . . 0.0 104.322 173.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -89.02 66.87 7.97 Favored 'General case' 0 C--N 1.361 1.078 0 O-C-N 120.296 -1.503 . . . . 0.0 111.416 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 84.7 t -126.1 114.46 38.75 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 N-CA-C 102.951 -2.981 . . . . 0.0 102.951 175.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.7 tp -151.46 126.92 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.778 0 N-CA-C 105.077 -2.194 . . . . 0.0 105.077 -174.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 56.3 p -109.3 112.47 24.63 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 125.031 1.332 . . . . 0.0 112.738 -175.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -104.8 116.86 32.74 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 174.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . 0.274 3.9 t -73.45 -21.02 60.56 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 119.8 3.259 . . . . 0.0 119.8 -173.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -90.28 4.3 51.08 Favored 'General case' 0 C--N 1.357 0.921 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -172.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 85.93 11.5 73.35 Favored Glycine 0 C--N 1.361 1.962 0 O-C-N 120.215 -1.553 . . . . 0.0 114.334 -176.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.2 t -96.83 149.15 4.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 C-N-CA 129.703 3.201 . . . . 0.0 108.891 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.4 t -63.16 148.94 46.57 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 128.939 2.895 . . . . 0.0 114.335 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.16 141.7 28.24 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 125.261 1.425 . . . . 0.0 114.133 -178.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -93.57 129.95 39.64 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 127.804 2.442 . . . . 0.0 108.103 177.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -103.39 129.72 9.98 Favored Glycine 0 C--N 1.353 1.503 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -107.72 132.59 54.93 Favored 'Isoleucine or valine' 0 C--N 1.359 1.009 0 N-CA-C 105.688 -1.967 . . . . 0.0 105.688 178.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 28.4 mt -123.72 131.14 73.51 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 -177.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -116.69 126.07 52.64 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.64 136.07 59.07 Favored 'Isoleucine or valine' 0 C--N 1.365 1.252 0 CA-C-O 123.484 1.611 . . . . 0.0 112.306 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 91.3 mtm180 -115.98 132.88 56.52 Favored 'General case' 0 C--N 1.364 1.205 0 C-N-CA 126.797 2.039 . . . . 0.0 109.263 -177.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -135.68 153.42 51.62 Favored 'General case' 0 C--N 1.359 1.003 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 18.9 m -140.9 139.21 34.32 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 124.24 1.016 . . . . 0.0 109.88 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.83 127.52 60.77 Favored 'Isoleucine or valine' 0 C--N 1.368 1.399 0 O-C-N 119.526 -1.984 . . . . 0.0 108.973 176.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -76.33 120.56 21.75 Favored 'General case' 0 C--N 1.362 1.121 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -178.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . 0.264 38.0 t-20 -158.41 65.68 0.44 Allowed 'General case' 0 C--N 1.351 0.65 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 170.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -114.42 29.1 8.26 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 127.012 2.125 . . . . 0.0 105.723 171.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 11.3 m -96.05 90.53 5.58 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 126.557 1.943 . . . . 0.0 108.294 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.565 0 C-N-CA 125.083 1.325 . . . . 0.0 111.235 -178.188 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 N--CA 1.435 -1.212 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -176.44 173.51 46.33 Favored Glycine 0 C--N 1.354 1.567 0 N-CA-C 106.819 -2.512 . . . . 0.0 106.819 173.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 59.4 mt 66.88 -48.03 0.47 Allowed 'General case' 0 C--N 1.37 1.49 0 N-CA-C 118.152 2.649 . . . . 0.0 118.152 175.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -74.69 137.17 41.96 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 128.814 2.846 . . . . 0.0 114.785 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.7 t -151.85 154.27 35.84 Favored 'General case' 0 C--N 1.347 0.484 1 N-CA-C 99.199 -4.371 . . . . 0.0 99.199 177.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 73.51 34.34 0.98 Allowed 'General case' 0 C--N 1.37 1.479 0 C-N-CA 125.512 1.525 . . . . 0.0 112.946 -174.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -82.57 146.12 29.35 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 128.15 2.58 . . . . 0.0 113.998 -176.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.401 ' CD2' ' H ' ' A' ' 5' ' ' LEU . 2.2 pt? -66.67 -26.01 66.84 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 129.348 3.059 . . . . 0.0 114.447 175.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.71 -37.39 82.2 Favored 'General case' 0 C--N 1.37 1.485 0 C-N-CA 126.636 1.974 . . . . 0.0 113.276 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.3 m -61.86 -46.37 89.72 Favored 'General case' 0 C--N 1.372 1.554 0 C-N-CA 126.666 1.986 . . . . 0.0 112.366 175.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.551 49.7 tpt85 -71.62 -37.37 70.91 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.534 1.533 . . . . 0.0 114.361 172.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.47 -23.06 5.5 Favored 'General case' 0 C--N 1.373 1.598 0 O-C-N 119.529 -1.982 . . . . 0.0 115.901 165.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.501 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -61.12 -37.08 81.52 Favored 'General case' 0 C--N 1.38 1.906 0 O-C-N 120.032 -1.667 . . . . 0.0 114.884 163.707 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.56 HE21 HG21 ' A' ' 64' ' ' ILE 0.306 60.1 mt-30 -67.04 -36.86 83.02 Favored 'General case' 0 C--N 1.374 1.656 0 C-N-CA 127.08 2.152 . . . . 0.0 109.231 176.776 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -61.86 -33.29 73.91 Favored 'General case' 0 C--N 1.369 1.438 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 162.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.92 -36.22 69.89 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 126.777 2.031 . . . . 0.0 113.851 173.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.486 9.7 t -70.35 -32.72 70.54 Favored 'General case' 0 C--N 1.382 2.002 0 O-C-N 120.731 -1.23 . . . . 0.0 110.839 166.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.5 t -69.48 -32.49 53.17 Favored 'Isoleucine or valine' 0 C--N 1.371 1.527 0 O-C-N 118.344 -2.723 . . . . 0.0 114.002 168.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -70.81 -30.24 66.63 Favored 'General case' 0 C--N 1.365 1.266 0 O-C-N 119.894 -1.754 . . . . 0.0 115.548 172.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -69.82 -42.83 73.13 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 127.293 2.237 . . . . 0.0 112.126 170.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -31.22 71.92 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 126.329 1.852 . . . . 0.0 114.082 172.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.12 -22.6 33.31 Favored 'General case' 0 C--N 1.371 1.52 0 O-C-N 121.041 -1.037 . . . . 0.0 112.207 170.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.3 m -79.34 -31.6 43.08 Favored 'General case' 0 C--N 1.383 2.057 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.437 ' HB2' ' CD2' ' A' ' 92' ' ' TYR . 12.0 t80 -82.66 93.56 7.38 Favored 'General case' 0 C--N 1.366 1.323 0 CA-C-O 124.138 1.923 . . . . 0.0 114.45 178.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.357 2.6 pt20 -49.57 -37.8 26.3 Favored Pre-proline 0 C--N 1.36 1.056 0 C-N-CA 130.883 3.673 . . . . 0.0 119.052 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -60.84 -19.6 62.6 Favored 'Trans proline' 0 CA--C 1.547 1.133 0 C-N-CA 124.804 3.669 . . . . 0.0 115.454 168.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.7 -46.37 89.28 Favored 'General case' 0 C--N 1.387 2.239 0 CA-C-N 121.955 2.161 . . . . 0.0 113.102 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . 0.304 12.8 ptm -56.07 -27.43 53.47 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 128.611 2.764 . . . . 0.0 115.885 174.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -85.59 -22.17 28.15 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 125.999 1.72 . . . . 0.0 112.567 174.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.86 -40.62 8.43 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 126.735 2.014 . . . . 0.0 113.632 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.414 HG21 ' HA ' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -123.27 146.4 28.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 N-CA-C 102.141 -3.281 . . . . 0.0 102.141 176.849 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.303 8.0 t-20 -99.33 -21.88 15.83 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 127.023 2.129 . . . . 0.0 113.434 -175.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.496 6.2 mp0 -136.5 41.54 2.56 Favored 'General case' 0 CA--C 1.483 -1.598 1 C-N-CA 132.554 4.342 . . . . 0.0 112.101 -156.937 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.3 p -85.79 108.97 17.93 Favored 'Isoleucine or valine' 0 C--N 1.37 1.497 0 CA-C-O 125.48 2.562 . . . . 0.0 106.101 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.8 t -146.75 167.14 24.58 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 111.649 -2.523 . . . . 0.0 110.588 -166.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -105.84 63.0 0.67 Allowed 'General case' 0 C--N 1.353 0.727 0 O-C-N 120.508 -1.37 . . . . 0.0 110.404 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.485 56.9 m 111.99 -73.25 0.0 OUTLIER Pre-proline 0 C--N 1.361 1.069 0 C-N-CA 128.726 2.81 . . . . 0.0 116.007 178.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -72.89 137.51 27.01 Favored 'Trans proline' 0 C--N 1.363 1.306 0 CA-C-N 127.479 3.707 . . . . 0.0 112.382 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 145.4 -19.56 1.88 Allowed Glycine 0 C--N 1.364 2.137 0 CA-C-O 122.612 1.118 . . . . 0.0 110.384 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 43' ' ' TYR 0.257 0.0 OUTLIER -64.09 -14.23 53.19 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 119.559 3.17 . . . . 0.0 119.559 -178.601 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -93.33 16.65 12.8 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 128.505 2.722 . . . . 0.0 112.674 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -119.5 175.5 2.19 Favored Pre-proline 0 C--N 1.354 0.772 0 C-N-CA 127.254 2.222 . . . . 0.0 109.935 -175.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -70.09 154.2 66.67 Favored 'Trans proline' 0 C--N 1.371 1.726 0 C-N-CA 124.976 3.784 . . . . 0.0 115.626 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -93.57 146.13 31.23 Favored Pre-proline 0 C--N 1.352 0.702 0 C-N-CA 130.199 3.4 . . . . 0.0 110.276 -174.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -79.44 150.84 85.14 Favored 'Cis proline' 0 C--N 1.35 0.635 0 N-CA-C 116.733 1.782 . . . . 0.0 116.733 6.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.414 ' HA ' HG21 ' A' ' 28' ' ' VAL . 16.3 p90 -155.1 167.04 31.69 Favored 'General case' 0 C--N 1.37 1.467 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 175.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.8 t -137.41 130.03 42.65 Favored 'Isoleucine or valine' 0 C--N 1.388 2.251 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 -174.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.2 m -114.09 134.67 56.22 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 O-C-N 120.16 -1.588 . . . . 0.0 107.048 170.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.9 mt -104.91 128.31 58.75 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -176.28 -134.77 2.01 Favored Glycine 0 C--N 1.351 1.404 0 O-C-N 120.392 -1.442 . . . . 0.0 112.049 -170.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -140.39 148.48 41.31 Favored 'General case' 0 C--N 1.365 1.265 0 CA-C-O 122.356 1.074 . . . . 0.0 111.063 -176.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -101.57 155.59 17.99 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 127.764 2.426 . . . . 0.0 109.146 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.9 t -92.91 -166.2 1.49 Allowed 'General case' 0 C--N 1.366 1.309 0 O-C-N 119.821 -1.799 . . . . 0.0 111.876 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . 0.251 6.6 t 100.23 10.37 0.01 OUTLIER 'General case' 0 C--N 1.363 1.194 0 C-N-CA 129.484 3.114 . . . . 0.0 113.805 179.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.0 m -65.68 114.95 18.15 Favored Pre-proline 0 C--N 1.364 1.205 0 C-N-CA 128.66 2.784 . . . . 0.0 115.625 -177.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -75.87 160.55 37.19 Favored 'Trans proline' 0 C--N 1.359 1.129 1 C-N-CA 125.551 4.167 . . . . 0.0 113.611 177.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -110.78 138.76 46.77 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 125.917 1.687 . . . . 0.0 109.001 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 87.49 102.36 0.03 OUTLIER 'General case' 0 C--N 1.363 1.17 0 C-N-CA 128.268 2.627 . . . . 0.0 112.117 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.0 m -165.61 139.28 4.51 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 102.666 -3.087 . . . . 0.0 102.666 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -100.82 47.64 0.92 Allowed 'General case' 0 C--N 1.362 1.146 0 C-N-CA 125.295 1.438 . . . . 0.0 113.221 -175.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 t 179.3 -174.28 0.21 Allowed 'General case' 0 C--N 1.354 0.777 0 N-CA-C 104.305 -2.48 . . . . 0.0 104.305 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . 0.274 7.8 t 102.91 -14.88 0.02 OUTLIER 'General case' 0 C--N 1.36 1.022 0 C-N-CA 130.434 3.494 . . . . 0.0 115.871 174.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -98.05 59.54 1.41 Allowed 'General case' 0 C--N 1.351 0.663 0 C-N-CA 124.7 1.2 . . . . 0.0 113.014 -176.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 167.99 -175.44 42.81 Favored Glycine 0 C--N 1.362 1.988 0 C-N-CA 130.045 3.688 . . . . 0.0 104.099 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 75.72 -54.48 0.63 Allowed 'General case' 0 C--N 1.364 1.208 0 N-CA-C 117.414 2.375 . . . . 0.0 117.414 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -121.84 162.76 20.35 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 116.482 2.03 . . . . 0.0 116.482 -174.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.56 HG21 HE21 ' A' ' 11' ' ' GLN . 2.6 mp -121.42 127.27 75.66 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 1 C-N-CA 132.417 4.287 . . . . 0.0 101.494 176.271 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.2 m -127.06 132.05 50.78 Favored 'General case' 0 C--N 1.361 1.093 0 O-C-N 121.004 -1.06 . . . . 0.0 110.441 -177.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.14 157.26 46.26 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 126.102 1.761 . . . . 0.0 108.831 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -140.24 158.42 44.06 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 125.128 1.371 . . . . 0.0 109.302 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -130.94 130.71 43.8 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 125.263 1.425 . . . . 0.0 107.728 176.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -119.33 119.26 33.48 Favored 'General case' 0 C--N 1.36 1.058 0 N-CA-C 105.971 -1.862 . . . . 0.0 105.971 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.2 m -124.78 135.53 63.67 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 -172.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -132.22 123.07 26.27 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 173.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -126.09 47.62 1.01 Allowed Glycine 0 C--N 1.369 2.414 0 C-N-CA 123.322 0.487 . . . . 0.0 112.88 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.75 57.29 0.35 Allowed Glycine 0 C--N 1.355 1.61 0 C-N-CA 128.963 3.173 . . . . 0.0 118.383 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.1 p -121.18 -70.81 0.76 Allowed 'General case' 0 C--N 1.352 0.717 0 C-N-CA 126.109 1.764 . . . . 0.0 109.419 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.7 m -131.59 144.6 51.19 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 103.353 -2.832 . . . . 0.0 103.353 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -52.17 -36.48 51.84 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 128.551 2.741 . . . . 0.0 115.782 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.97 -35.1 72.61 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 131.241 3.817 . . . . 0.0 113.671 174.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.19 -33.61 72.47 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 125.961 1.705 . . . . 0.0 113.901 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.92 -34.77 75.93 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 127.188 2.195 . . . . 0.0 114.246 174.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -77.22 -43.0 35.21 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 128.601 2.76 . . . . 0.0 110.691 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.9 -49.08 66.73 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 128.913 2.885 . . . . 0.0 113.633 174.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.4 pt -65.24 -38.45 82.66 Favored 'Isoleucine or valine' 0 C--N 1.382 1.982 0 CA-C-N 120.279 1.399 . . . . 0.0 113.282 174.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 62.4 m -60.91 -48.19 82.94 Favored 'General case' 0 C--N 1.385 2.149 0 C-N-CA 126.652 1.981 . . . . 0.0 111.518 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.5 m -60.24 -47.46 85.87 Favored 'General case' 0 C--N 1.37 1.471 0 C-N-CA 127.453 2.301 . . . . 0.0 113.976 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -67.08 -37.96 84.89 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 126.372 1.869 . . . . 0.0 115.861 176.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.315 9.6 p -70.35 -43.32 78.44 Favored 'Isoleucine or valine' 0 C--N 1.38 1.927 0 O-C-N 120.165 -1.585 . . . . 0.0 112.881 173.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.72 -40.45 95.1 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 128.498 2.719 . . . . 0.0 112.31 172.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -65.58 -39.51 91.72 Favored 'General case' 0 C--N 1.373 1.627 0 C-N-CA 126.561 1.944 . . . . 0.0 113.076 171.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.55 -53.72 50.53 Favored 'General case' 0 C--N 1.373 1.63 0 CA-C-N 120.587 1.539 . . . . 0.0 112.855 169.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.2 mt -55.17 -26.07 36.52 Favored 'General case' 0 C--N 1.369 1.438 0 N-CA-C 117.721 2.489 . . . . 0.0 117.721 177.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.673 1.8 m -114.17 10.25 17.29 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 165.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.437 ' CD2' ' HB2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -74.26 -52.88 11.02 Favored 'General case' 0 C--N 1.36 1.063 0 O-C-N 119.204 -2.185 . . . . 0.0 108.765 170.742 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -119.5 129.77 25.2 Favored Pre-proline 0 C--N 1.359 1.001 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 175.337 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -79.92 129.66 8.13 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 123.979 3.119 . . . . 0.0 111.702 -176.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.36 107.98 4.58 Favored 'General case' 0 C--N 1.368 1.372 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 -177.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 33.5 ttp -143.14 162.14 36.35 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 102.432 -3.173 . . . . 0.0 102.432 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -141.48 107.8 5.26 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 124.549 1.14 . . . . 0.0 108.896 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 69.03 -76.04 0.06 Allowed 'General case' 0 C--N 1.348 0.525 1 C-N-CA 133.425 4.69 . . . . 0.0 115.229 172.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -146.62 22.65 1.67 Allowed Glycine 0 CA--C 1.492 -1.357 0 N-CA-C 106.388 -2.685 . . . . 0.0 106.388 174.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -121.37 124.55 44.8 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.7 m -115.0 142.45 46.62 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 122.319 1.057 . . . . 0.0 111.209 -173.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -144.35 136.9 26.72 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 104.419 -2.438 . . . . 0.0 104.419 -179.424 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 76.8 t -106.89 135.32 45.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 C-N-CA 127.548 2.339 . . . . 0.0 109.549 -171.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.55 129.5 34.7 Favored 'General case' 0 C--N 1.368 1.381 0 C-N-CA 125.62 1.568 . . . . 0.0 110.682 177.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -95.68 122.92 38.97 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 124.22 1.008 . . . . 0.0 110.255 -176.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -167.76 -179.7 4.39 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 120.31 -1.493 . . . . 0.0 109.881 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.0 tp -151.84 -51.39 0.12 Allowed 'General case' 0 C--N 1.355 0.818 0 N-CA-C 103.478 -2.786 . . . . 0.0 103.478 176.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.7 m -122.38 156.85 27.31 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 N-CA-C 102.506 -3.146 . . . . 0.0 102.506 169.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -109.98 -52.09 2.81 Favored 'General case' 0 C--N 1.359 1.014 0 CA-C-N 119.662 1.119 . . . . 0.0 111.3 -176.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -149.36 171.56 16.33 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -106.8 139.37 41.33 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 125.595 1.558 . . . . 0.0 108.05 176.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.4 p -102.81 126.25 57.05 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 C-N-CA 126.439 1.896 . . . . 0.0 109.133 178.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.5 pt -142.63 127.07 15.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 C-N-CA 125.905 1.682 . . . . 0.0 106.491 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 5.7 t -118.36 142.31 47.66 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.164 1.785 . . . . 0.0 107.341 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -95.4 127.36 41.38 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 125.488 1.515 . . . . 0.0 110.601 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.5 p -71.96 -20.98 61.66 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 127.958 2.503 . . . . 0.0 113.678 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -86.68 -4.25 59.15 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 128.401 2.68 . . . . 0.0 114.208 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.64 -0.13 84.6 Favored Glycine 0 C--N 1.362 1.98 0 N-CA-C 118.823 2.289 . . . . 0.0 118.823 173.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 33.4 m -73.81 119.71 21.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 127.442 2.297 . . . . 0.0 115.243 -177.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.3 m -74.7 119.37 18.8 Favored 'General case' 0 C--N 1.369 1.455 0 O-C-N 119.078 -2.264 . . . . 0.0 115.323 -176.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -97.68 142.83 29.0 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 128.779 2.832 . . . . 0.0 111.536 178.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.11 150.26 22.21 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 129.629 3.172 . . . . 0.0 106.635 173.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -124.8 150.26 17.11 Favored Glycine 0 C--N 1.353 1.517 0 C-N-CA 123.603 0.621 . . . . 0.0 112.599 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -118.02 124.54 73.24 Favored 'Isoleucine or valine' 0 C--N 1.365 1.281 0 N-CA-C 101.903 -3.369 . . . . 0.0 101.903 171.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.3 mt -119.67 130.28 74.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -110.86 140.15 45.56 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 124.839 1.256 . . . . 0.0 107.854 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.7 p -140.06 135.27 37.34 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 CA-C-N 122.343 2.338 . . . . 0.0 110.601 175.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.32 139.11 53.98 Favored 'General case' 0 C--N 1.358 0.978 0 O-C-N 120.184 -1.572 . . . . 0.0 110.925 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -122.74 134.5 54.45 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 126.766 2.026 . . . . 0.0 105.706 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 3.6 m -123.55 143.36 50.24 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.941 0.896 . . . . 0.0 110.032 -173.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.4 pt -126.2 111.73 27.59 Favored 'Isoleucine or valine' 0 C--N 1.37 1.474 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . 0.254 9.7 t30 65.66 -72.7 0.07 Allowed 'General case' 0 C--N 1.366 1.305 0 C-N-CA 129.792 3.237 . . . . 0.0 118.577 170.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -167.24 -94.72 0.01 OUTLIER 'General case' 0 C--N 1.352 0.688 1 N-CA-C 98.947 -4.464 . . . . 0.0 98.947 179.386 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -173.58 -70.79 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 103.651 -2.722 . . . . 0.0 103.651 170.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 35.0 p -72.84 109.38 6.38 Favored 'General case' 0 C--N 1.363 1.196 0 C-N-CA 125.538 1.535 . . . . 0.0 111.572 175.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.681 0 C-N-CA 124.215 0.912 . . . . 0.0 111.168 -176.69 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 . . . . . 0 N--CA 1.442 -0.839 0 CA-C-O 121.083 0.468 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -110.79 43.51 1.7 Allowed Glycine 0 C--N 1.356 1.65 0 C-N-CA 125.796 1.665 . . . . 0.0 112.612 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 34.7 tp -153.46 153.16 31.95 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 126.977 2.111 . . . . 0.0 106.91 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -76.19 50.58 0.63 Allowed 'General case' 0 C--N 1.363 1.196 0 C-N-CA 128.708 2.803 . . . . 0.0 114.353 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.2 m -90.8 -24.83 20.2 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 128.27 2.628 . . . . 0.0 112.382 -176.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 66.33 -57.63 0.37 Allowed 'General case' 0 C--N 1.363 1.195 0 C-N-CA 128.194 2.598 . . . . 0.0 117.138 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -91.36 64.83 5.21 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 128.486 2.714 . . . . 0.0 110.446 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.8 mt -58.0 -23.38 53.79 Favored 'General case' 0 C--N 1.365 1.251 0 C-N-CA 130.651 3.58 . . . . 0.0 113.071 176.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.58 -33.27 66.02 Favored 'General case' 0 C--N 1.362 1.136 1 C-N-CA 133.076 4.551 . . . . 0.0 113.306 172.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.3 p -56.05 -47.26 78.23 Favored 'General case' 0 C--N 1.372 1.582 0 C-N-CA 127.112 2.165 . . . . 0.0 113.675 173.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.473 6.2 tpp180 -71.81 -36.8 70.38 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 131.081 3.753 . . . . 0.0 112.935 175.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.45 -23.14 36.72 Favored 'General case' 0 CA--C 1.561 1.398 0 O-C-N 119.476 -2.015 . . . . 0.0 114.583 165.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.433 ' HB3' ' CZ ' ' A' ' 102' ' ' PHE 0.286 0.1 OUTLIER -64.96 -29.25 70.17 Favored 'General case' 0 C--N 1.375 1.675 0 O-C-N 119.307 -2.121 . . . . 0.0 115.174 162.368 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.37 -37.83 83.78 Favored 'General case' 0 C--N 1.377 1.801 0 C-N-CA 127.022 2.129 . . . . 0.0 109.645 174.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -63.4 -34.04 76.86 Favored 'General case' 0 C--N 1.375 1.677 0 C-N-CA 125.603 1.561 . . . . 0.0 112.064 166.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.85 -34.9 78.83 Favored 'General case' 0 C--N 1.367 1.368 0 O-C-N 118.87 -2.394 . . . . 0.0 113.414 169.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.263 19.2 p -65.52 -38.56 90.04 Favored 'General case' 0 C--N 1.381 1.974 0 C-N-CA 124.593 1.157 . . . . 0.0 111.711 169.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -34.89 70.78 Favored 'Isoleucine or valine' 0 C--N 1.37 1.468 0 O-C-N 120.534 -1.354 . . . . 0.0 114.266 172.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.85 -35.58 72.49 Favored 'General case' 0 C--N 1.368 1.384 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 171.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . 0.534 23.1 p30 -70.28 -34.52 72.86 Favored 'General case' 0 C--N 1.365 1.277 0 O-C-N 119.844 -1.785 . . . . 0.0 112.634 170.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 mt -65.8 -31.31 72.2 Favored 'General case' 0 C--N 1.37 1.49 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 170.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -85.02 -30.16 24.38 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 125.271 1.428 . . . . 0.0 112.994 172.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.2 m -81.52 -21.28 38.69 Favored 'General case' 0 C--N 1.378 1.838 0 C-N-CA 125.343 1.457 . . . . 0.0 112.566 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -87.77 94.05 9.63 Favored 'General case' 0 C--N 1.36 1.049 0 CA-C-O 122.794 1.283 . . . . 0.0 110.806 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.326 3.4 pt20 -52.73 -38.1 54.34 Favored Pre-proline 0 C--N 1.359 1.018 0 N-CA-C 119.075 2.991 . . . . 0.0 119.075 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -63.66 -19.36 67.24 Favored 'Trans proline' 0 C--N 1.363 1.337 0 C-N-CA 124.969 3.779 . . . . 0.0 114.264 167.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.77 -15.74 59.66 Favored 'General case' 0 C--N 1.371 1.5 0 CA-C-N 121.14 1.791 . . . . 0.0 114.064 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 73.9 mtp -67.08 -28.52 68.25 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 129.07 2.948 . . . . 0.0 113.34 176.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -89.72 -15.58 32.22 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 128.278 2.631 . . . . 0.0 112.142 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -101.19 -41.23 6.81 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 128.037 2.535 . . . . 0.0 114.166 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 p -122.87 146.89 27.45 Favored 'Isoleucine or valine' 0 C--N 1.365 1.25 0 O-C-N 120.308 -1.495 . . . . 0.0 108.167 -177.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -101.5 -39.72 7.39 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-O 124.602 2.144 . . . . 0.0 113.5 177.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.431 ' HG3' ' HB3' ' A' ' 39' ' ' ASP 0.825 68.1 mm-40 -116.24 40.87 2.74 Favored 'General case' 0 CA--C 1.5 -0.979 1 C-N-CA 135.134 5.373 . . . . 0.0 118.257 -166.767 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -84.87 108.95 17.39 Favored 'Isoleucine or valine' 0 C--N 1.369 1.435 0 CA-C-O 124.574 2.131 . . . . 0.0 109.543 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.7 t -146.52 169.57 18.67 Favored 'General case' 0 C--N 1.365 1.272 0 CA-C-O 124.309 2.004 . . . . 0.0 113.82 -173.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -78.54 50.73 0.99 Allowed 'General case' 0 C--N 1.355 0.844 0 N-CA-C 117.72 2.489 . . . . 0.0 117.72 -176.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.653 60.6 p 113.72 -57.78 0.0 OUTLIER Pre-proline 0 N--CA 1.476 0.871 0 CA-C-O 113.505 -3.14 . . . . 0.0 119.32 173.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -73.7 163.93 36.05 Favored 'Trans proline' 0 CA--C 1.555 1.541 1 CA-C-N 128.761 4.165 . . . . 0.0 115.946 176.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.11 15.34 0.6 Allowed Glycine 0 C--N 1.366 2.219 0 N-CA-C 115.916 1.126 . . . . 0.0 115.916 171.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -28.57 46.69 Favored 'General case' 0 C--N 1.364 1.207 0 N-CA-C 118.18 2.659 . . . . 0.0 118.18 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -96.45 9.76 40.33 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 128.485 2.714 . . . . 0.0 112.733 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.431 ' HB3' ' HG3' ' A' ' 30' ' ' GLN . 80.6 m-20 -90.41 165.77 22.11 Favored Pre-proline 0 C--N 1.36 1.037 0 C-N-CA 124.793 1.237 . . . . 0.0 110.854 177.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -69.43 148.75 67.9 Favored 'Trans proline' 0 C--N 1.365 1.439 0 C-N-CA 124.413 3.409 . . . . 0.0 114.577 -177.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -95.54 132.88 26.65 Favored Pre-proline 0 C--N 1.356 0.867 0 C-N-CA 126.782 2.033 . . . . 0.0 108.189 -177.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -82.95 150.36 69.29 Favored 'Cis proline' 0 CA--C 1.552 1.419 0 CA-C-N 122.79 2.032 . . . . 0.0 116.333 2.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -159.65 166.72 30.04 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 124.937 1.295 . . . . 0.0 113.758 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.3 t -137.27 133.79 46.95 Favored 'Isoleucine or valine' 0 C--N 1.393 2.489 0 CA-C-O 123.854 1.788 . . . . 0.0 112.04 -175.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.2 m -122.47 132.33 71.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 119.951 -1.718 . . . . 0.0 109.309 171.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.4 mt -99.16 124.93 52.73 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 C-N-CA 126.652 1.981 . . . . 0.0 105.752 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.59 -126.66 0.83 Allowed Glycine 0 C--N 1.351 1.365 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -145.13 155.64 43.43 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 123.619 0.768 . . . . 0.0 110.259 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.23 158.8 16.35 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 126.568 1.947 . . . . 0.0 110.326 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.3 t -82.86 56.23 3.35 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 127.873 2.469 . . . . 0.0 112.076 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.9 m -162.88 47.47 0.15 Allowed 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.216 -1.552 . . . . 0.0 109.003 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.0 p -116.28 81.57 10.81 Favored Pre-proline 0 C--N 1.355 0.841 0 C-N-CA 125.939 1.696 . . . . 0.0 109.121 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -84.84 114.14 1.64 Allowed 'Trans proline' 0 C--N 1.364 1.354 0 C-N-CA 124.17 3.247 . . . . 0.0 113.282 -173.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -115.46 111.27 20.52 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 125.169 1.388 . . . . 0.0 109.928 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -103.16 20.1 18.31 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 125.616 1.566 . . . . 0.0 110.746 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.9 t -165.36 -177.47 4.51 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 104.488 -2.412 . . . . 0.0 104.488 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -100.47 -125.8 0.18 Allowed 'General case' 0 C--N 1.355 0.823 0 C-N-CA 125.751 1.62 . . . . 0.0 112.495 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.4 m -174.37 165.67 3.97 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.1 t -141.83 27.26 1.84 Allowed 'General case' 0 C--N 1.358 0.966 0 C-N-CA 123.995 0.918 . . . . 0.0 111.076 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -147.87 -66.31 0.25 Allowed 'General case' 0 C--N 1.364 1.206 0 CA-C-O 121.766 0.793 . . . . 0.0 111.556 -177.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.9 11.55 60.16 Favored Glycine 0 C--N 1.362 2.003 0 C-N-CA 126.084 1.802 . . . . 0.0 114.157 -175.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -81.07 7.17 11.55 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 128.921 2.888 . . . . 0.0 114.925 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.5 m120 -111.89 126.74 55.43 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 103.014 -2.958 . . . . 0.0 103.014 173.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.74 121.15 62.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 1 N-CA-C 99.935 -4.098 . . . . 0.0 99.935 -177.48 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 p -131.47 117.65 19.1 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 104.229 -2.508 . . . . 0.0 104.229 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.8 tpt -144.48 160.97 40.21 Favored 'General case' 0 C--N 1.36 1.046 0 CA-C-O 121.842 0.83 . . . . 0.0 109.799 -175.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -132.18 152.9 51.05 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 124.581 1.153 . . . . 0.0 109.311 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.311 2.4 p90 -128.79 139.23 52.28 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.91 1.284 . . . . 0.0 107.749 171.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -121.55 127.54 51.06 Favored 'General case' 0 CA--C 1.491 -1.321 0 C-N-CA 128.009 2.524 . . . . 0.0 106.575 -175.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.2 t -121.98 128.49 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 CA-C-N 113.916 -1.493 . . . . 0.0 107.834 -175.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -128.22 138.08 52.3 Favored 'General case' 0 C--N 1.369 1.418 0 C-N-CA 118.27 -1.372 . . . . 0.0 109.252 171.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -150.89 179.12 27.86 Favored Glycine 0 C--N 1.366 2.245 0 CA-C-O 122.324 0.958 . . . . 0.0 111.692 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -153.88 108.43 0.37 Allowed Glycine 0 C--N 1.354 1.549 0 N-CA-C 105.156 -3.178 . . . . 0.0 105.156 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.0 m -166.64 -85.88 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 103.214 -2.884 . . . . 0.0 103.214 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.6 p -144.55 170.12 16.66 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 125.999 1.72 . . . . 0.0 107.746 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -67.07 -35.33 79.59 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 127.786 2.434 . . . . 0.0 114.141 171.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.65 -35.89 73.1 Favored 'General case' 0 C--N 1.371 1.525 0 C-N-CA 127.724 2.41 . . . . 0.0 113.496 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -60.48 -36.91 79.43 Favored 'General case' 0 C--N 1.373 1.612 0 C-N-CA 126.716 2.006 . . . . 0.0 114.215 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.18 -33.58 73.68 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 126.111 1.764 . . . . 0.0 114.374 173.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -77.24 -39.49 48.21 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 127.548 2.339 . . . . 0.0 110.693 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -66.64 -45.21 79.75 Favored 'General case' 0 C--N 1.372 1.565 0 C-N-CA 127.005 2.122 . . . . 0.0 113.97 174.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.267 11.9 pt -66.39 -37.75 80.33 Favored 'Isoleucine or valine' 0 C--N 1.374 1.647 0 C-N-CA 126.176 1.79 . . . . 0.0 111.662 174.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.7 t -65.15 -42.33 93.86 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 126.882 2.073 . . . . 0.0 112.58 172.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.0 t -58.71 -41.39 86.2 Favored 'General case' 0 C--N 1.373 1.614 0 C-N-CA 129.07 2.948 . . . . 0.0 112.296 173.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -75.34 -38.83 59.96 Favored 'General case' 0 C--N 1.369 1.454 0 C-N-CA 126.143 1.777 . . . . 0.0 113.763 171.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.9 t -63.84 -49.5 81.63 Favored 'Isoleucine or valine' 0 C--N 1.381 1.965 0 CA-C-N 122.015 2.189 . . . . 0.0 112.327 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.2 mp -71.8 -32.05 67.21 Favored 'General case' 0 C--N 1.37 1.485 0 O-C-N 119.405 -2.059 . . . . 0.0 111.922 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -61.7 -34.27 75.49 Favored 'General case' 0 C--N 1.387 2.218 0 C-N-CA 124.938 1.295 . . . . 0.0 112.603 169.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.42 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -65.97 -50.39 64.47 Favored 'General case' 0 C--N 1.374 1.643 0 C-N-CA 125.772 1.629 . . . . 0.0 110.837 170.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.252 8.0 mp -50.88 -38.93 52.47 Favored 'General case' 0 C--N 1.377 1.787 0 N-CA-C 116.874 2.176 . . . . 0.0 116.874 178.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.306 0.2 OUTLIER -103.05 9.61 38.47 Favored 'General case' 0 C--N 1.368 1.403 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 169.711 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.42 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -77.84 -48.58 16.13 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 119.046 -2.284 . . . . 0.0 106.336 178.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.377 0.5 OUTLIER -119.4 104.61 45.3 Favored Pre-proline 0 C--N 1.353 0.728 0 N-CA-C 105.032 -2.211 . . . . 0.0 105.032 172.296 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -57.34 154.18 36.45 Favored 'Trans proline' 0 C--N 1.386 2.519 1 C-N-CA 125.831 4.354 . . . . 0.0 117.501 -169.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.4 mt -82.43 106.64 14.47 Favored 'General case' 0 C--N 1.363 1.188 0 CA-C-O 125.598 2.618 . . . . 0.0 116.844 -168.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 25.1 ttt -144.58 149.1 35.23 Favored 'General case' 0 N--CA 1.426 -1.629 0 CA-C-N 111.342 -2.663 . . . . 0.0 107.558 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -134.02 109.92 9.3 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 104.176 -2.527 . . . . 0.0 104.176 170.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 64.42 -71.83 0.07 Allowed 'General case' 0 N--CA 1.442 -0.835 1 C-N-CA 132.936 4.494 . . . . 0.0 118.098 165.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -141.47 19.63 2.61 Favored Glycine 0 CA--C 1.492 -1.371 0 N-CA-C 106.888 -2.485 . . . . 0.0 106.888 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -123.24 124.88 44.0 Favored 'General case' 0 C--N 1.367 1.331 0 CA-C-N 117.718 0.759 . . . . 0.0 109.125 -177.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.0 m -121.64 123.45 41.94 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 -177.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -127.06 136.26 51.93 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 128.548 2.739 . . . . 0.0 105.36 -174.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.7 t -106.4 132.92 52.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 C-N-CA 127.345 2.258 . . . . 0.0 110.22 -171.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.93 138.86 36.12 Favored 'General case' 0 C--N 1.362 1.144 0 N-CA-C 117.055 2.243 . . . . 0.0 117.055 -174.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -128.1 140.98 51.63 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 129.113 2.965 . . . . 0.0 108.078 177.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -156.04 172.86 17.69 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 103.913 -2.625 . . . . 0.0 103.913 177.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.5 tp -92.06 -111.19 0.1 Allowed 'General case' 0 C--N 1.363 1.175 0 C-N-CA 125.052 1.341 . . . . 0.0 111.647 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.7 t -110.23 -71.84 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.115 0 O-C-N 120.674 -1.266 . . . . 0.0 108.68 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.7 tp -155.92 149.49 24.91 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -119.34 117.13 27.71 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -167.34 127.27 1.43 Allowed 'General case' 0 C--N 1.358 0.971 0 CA-C-O 121.65 0.738 . . . . 0.0 112.634 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.9 p -116.16 138.28 47.15 Favored 'Isoleucine or valine' 0 C--N 1.362 1.146 0 N-CA-C 104.382 -2.451 . . . . 0.0 104.382 173.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 30.0 pt -106.6 154.53 7.59 Favored 'Isoleucine or valine' 0 C--N 1.36 1.027 0 O-C-N 120.365 -1.459 . . . . 0.0 114.179 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.255 3.6 t -90.97 143.67 26.48 Favored 'General case' 0 C--N 1.37 1.497 0 C-N-CA 127.295 2.238 . . . . 0.0 110.202 173.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -97.99 170.62 8.81 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 125.432 1.493 . . . . 0.0 112.607 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -47.23 -20.67 0.2 Allowed 'General case' 0 C--N 1.355 0.837 1 C-N-CA 134.09 4.956 . . . . 0.0 118.679 -179.053 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -76.45 -16.64 59.63 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 128.122 2.569 . . . . 0.0 114.58 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.65 47.33 4.59 Favored Glycine 0 C--N 1.364 2.121 0 C-N-CA 124.833 1.206 . . . . 0.0 115.486 174.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 94.7 t -97.07 148.06 5.85 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 C-N-CA 125.812 1.645 . . . . 0.0 110.793 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.5 m -49.44 128.23 16.8 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 131.091 3.756 . . . . 0.0 113.243 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -93.47 115.72 28.24 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 124.641 1.176 . . . . 0.0 110.114 -168.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -120.19 138.32 53.69 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 126.371 1.869 . . . . 0.0 107.702 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.67 139.67 11.14 Favored Glycine 0 C--N 1.348 1.22 0 N-CA-C 107.244 -2.342 . . . . 0.0 107.244 170.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.07 128.02 75.93 Favored 'Isoleucine or valine' 0 C--N 1.362 1.114 0 N-CA-C 104.326 -2.472 . . . . 0.0 104.326 175.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 51.6 mt -121.39 128.1 75.84 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 125.616 1.566 . . . . 0.0 106.8 -177.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -110.06 139.59 45.02 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 124.182 0.993 . . . . 0.0 109.457 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.92 143.74 18.5 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 CA-C-O 123.6 1.667 . . . . 0.0 110.736 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -124.3 140.52 52.88 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 125.811 1.644 . . . . 0.0 107.415 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.08 148.05 49.73 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 104.552 -2.388 . . . . 0.0 104.552 178.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 81.3 m -135.97 143.15 44.69 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 119.723 -1.861 . . . . 0.0 109.585 -174.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.54 137.9 56.33 Favored 'Isoleucine or valine' 0 C--N 1.364 1.236 0 C-N-CA 126.689 1.995 . . . . 0.0 106.757 175.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -177.35 171.33 2.01 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 103.176 -2.898 . . . . 0.0 103.176 177.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . 0.53 0.0 OUTLIER 82.95 139.56 0.06 Allowed 'General case' 0 C--N 1.358 0.948 0 C-N-CA 131.298 3.839 . . . . 0.0 116.836 178.121 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 82.96 67.6 0.02 OUTLIER 'General case' 0 C--N 1.361 1.071 0 C-N-CA 127.531 2.332 . . . . 0.0 112.199 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 5.9 t -102.38 116.67 33.11 Favored 'General case' 0 C--N 1.365 1.239 0 O-C-N 120.72 -1.237 . . . . 0.0 108.318 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.501 0 N-CA-C 107.937 -2.065 . . . . 0.0 107.937 -178.053 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 . . . . . 0 N--CA 1.44 -0.939 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 152.76 133.6 1.93 Allowed Glycine 0 C--N 1.354 1.546 0 C-N-CA 125.329 1.443 . . . . 0.0 109.987 -176.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 51.0 tp -161.28 153.34 19.77 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 103.785 -2.672 . . . . 0.0 103.785 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 99.91 131.6 0.01 OUTLIER 'General case' 0 C--N 1.362 1.147 0 C-N-CA 130.029 3.332 . . . . 0.0 108.805 -174.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 t -139.33 39.98 2.08 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -117.38 148.18 41.99 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 126.762 2.025 . . . . 0.0 107.172 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.7 mttm 86.43 51.71 0.01 OUTLIER 'General case' 0 C--N 1.367 1.329 0 C-N-CA 128.014 2.526 . . . . 0.0 112.483 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.3 mt -57.15 -31.88 65.82 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 128.681 2.793 . . . . 0.0 116.882 -175.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.76 -32.93 73.22 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 127.024 2.13 . . . . 0.0 113.673 174.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.1 p -61.0 -48.03 83.7 Favored 'General case' 0 C--N 1.375 1.678 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.512 38.4 tpt85 -71.98 -36.23 69.74 Favored 'General case' 0 C--O 1.245 0.85 0 C-N-CA 131.053 3.741 . . . . 0.0 113.726 174.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.409 ' HA ' ' HG3' ' A' ' 12' ' ' LYS . . . -53.43 -27.0 22.26 Favored 'General case' 0 CA--C 1.559 1.311 0 O-C-N 119.943 -1.723 . . . . 0.0 115.171 165.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 102' ' ' PHE 0.273 0.2 OUTLIER -62.77 -29.6 70.83 Favored 'General case' 0 C--N 1.382 1.987 0 O-C-N 119.683 -1.886 . . . . 0.0 115.578 165.122 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.272 49.0 mt-30 -69.79 -37.76 76.44 Favored 'General case' 0 C--N 1.371 1.527 0 C-N-CA 126.183 1.793 . . . . 0.0 110.834 173.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.433 ' HZ2' ' HB2' ' A' ' 12' ' ' LYS 0.424 0.0 OUTLIER -67.1 -30.59 70.65 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 165.984 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.33 -33.82 69.98 Favored 'General case' 0 C--N 1.366 1.304 0 O-C-N 119.414 -2.054 . . . . 0.0 113.708 171.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.5 m -70.12 -29.66 66.66 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 129.876 3.27 . . . . 0.0 110.507 171.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.86 -37.9 63.24 Favored 'Isoleucine or valine' 0 C--N 1.365 1.256 0 O-C-N 119.445 -2.034 . . . . 0.0 112.664 168.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -68.57 -29.66 68.25 Favored 'General case' 0 C--N 1.371 1.517 0 O-C-N 120.255 -1.528 . . . . 0.0 114.372 170.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -62.57 -49.81 73.82 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 127.712 2.405 . . . . 0.0 110.645 168.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -31.57 66.18 Favored 'General case' 0 C--N 1.38 1.918 0 C-N-CA 125.847 1.659 . . . . 0.0 112.125 173.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -66.08 -44.08 85.48 Favored 'General case' 0 C--N 1.371 1.524 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 167.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.528 ' HB2' ' CE2' ' A' ' 92' ' ' TYR 0.388 0.7 OUTLIER -76.78 -16.98 59.31 Favored 'General case' 0 C--N 1.391 2.383 0 CA-C-N 123.439 2.836 . . . . 0.0 114.583 176.506 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.417 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 2.1 t80 -81.66 92.17 6.54 Favored 'General case' 0 C--N 1.367 1.358 0 CA-C-O 125.007 2.337 . . . . 0.0 116.347 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.337 10.9 pt20 -54.45 -43.4 97.78 Favored Pre-proline 0 C--N 1.36 1.061 0 C-N-CA 130.93 3.692 . . . . 0.0 116.247 175.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -62.73 -19.04 67.23 Favored 'Trans proline' 0 C--N 1.364 1.383 1 C-N-CA 125.328 4.019 . . . . 0.0 114.737 170.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tp -73.35 -29.04 62.39 Favored 'General case' 0 C--N 1.379 1.861 0 CA-C-N 121.852 2.115 . . . . 0.0 114.027 -178.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 58.8 mtt -60.03 -28.95 68.18 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 130.714 3.606 . . . . 0.0 114.118 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -94.07 -18.57 21.68 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 128.106 2.563 . . . . 0.0 112.889 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.8 mmt -102.79 -34.59 8.95 Favored 'General case' 0 C--N 1.361 1.103 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 p -123.25 146.67 28.24 Favored 'Isoleucine or valine' 0 C--N 1.364 1.227 0 O-C-N 120.062 -1.649 . . . . 0.0 107.666 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -101.05 -44.46 5.71 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 123.615 1.674 . . . . 0.0 112.442 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.627 4.2 mp0 -109.02 40.79 1.74 Allowed 'General case' 0 CA--C 1.499 -0.995 1 C-N-CA 134.761 5.224 . . . . 0.0 115.456 -171.843 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.7 p -84.47 108.33 16.52 Favored 'Isoleucine or valine' 0 C--N 1.369 1.439 0 CA-C-N 124.331 3.242 . . . . 0.0 108.142 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.3 t -146.76 169.19 19.58 Favored 'General case' 0 C--N 1.361 1.077 0 CA-C-N 112.662 -2.063 . . . . 0.0 112.089 -168.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -95.87 9.61 39.99 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 -176.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.33 11.6 m -169.07 -70.0 0.0 OUTLIER Pre-proline 0 C--N 1.361 1.088 0 CA-C-O 115.37 -2.252 . . . . 0.0 113.789 175.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -72.94 164.2 36.24 Favored 'Trans proline' 0 C--N 1.362 1.25 0 C-N-CA 124.709 3.606 . . . . 0.0 115.473 -173.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 156.33 -25.73 0.53 Allowed Glycine 0 C--N 1.364 2.125 0 O-C-N 120.698 -1.251 . . . . 0.0 115.807 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.39 -31.39 6.11 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 119.31 3.078 . . . . 0.0 119.31 -174.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -106.28 15.38 26.24 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 127.674 2.39 . . . . 0.0 111.841 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -106.49 168.3 8.33 Favored Pre-proline 0 C--N 1.359 0.983 0 O-C-N 119.731 -1.855 . . . . 0.0 111.575 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -64.21 152.59 80.58 Favored 'Trans proline' 0 C--N 1.375 1.953 1 C-N-CA 125.56 4.173 . . . . 0.0 116.343 177.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -104.26 139.98 20.63 Favored Pre-proline 0 C--N 1.355 0.821 0 C-N-CA 127.261 2.224 . . . . 0.0 107.172 -177.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -80.51 149.0 77.69 Favored 'Cis proline' 0 CA--C 1.546 1.104 0 CA-C-N 123.883 2.422 . . . . 0.0 116.566 3.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -160.8 167.7 26.23 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 114.754 1.391 . . . . 0.0 114.754 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.6 t -136.64 135.31 48.9 Favored 'Isoleucine or valine' 0 C--N 1.401 2.811 0 CA-C-O 122.981 1.372 . . . . 0.0 114.632 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.5 m -113.62 143.02 24.19 Favored 'Isoleucine or valine' 0 C--N 1.364 1.196 0 O-C-N 120.068 -1.645 . . . . 0.0 109.034 165.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 21.8 mm -95.71 127.62 47.6 Favored 'Isoleucine or valine' 0 C--N 1.365 1.244 0 C-N-CA 127.914 2.486 . . . . 0.0 107.952 173.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -165.47 -133.99 1.59 Allowed Glycine 0 C--N 1.358 1.784 0 CA-C-N 118.948 0.795 . . . . 0.0 113.621 -177.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -145.0 152.76 40.65 Favored 'General case' 0 C--N 1.368 1.381 0 C-N-CA 126.054 1.742 . . . . 0.0 109.962 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -81.34 155.57 25.91 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 126.363 1.865 . . . . 0.0 113.109 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.9 m -73.68 61.99 0.77 Allowed 'General case' 0 C--N 1.364 1.207 0 C-N-CA 126.684 1.994 . . . . 0.0 115.775 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.1 m -83.55 103.56 12.98 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 128.788 2.835 . . . . 0.0 110.699 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.2 m -48.29 -51.16 52.36 Favored Pre-proline 0 C--N 1.365 1.259 0 C-N-CA 128.428 2.691 . . . . 0.0 118.106 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -76.19 114.81 3.98 Favored 'Trans proline' 0 C--N 1.364 1.354 0 C-N-CA 123.66 2.907 . . . . 0.0 112.105 174.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -115.38 129.2 56.51 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 126.253 1.821 . . . . 0.0 109.385 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . 0.273 1.2 tm-20 66.14 74.69 0.35 Allowed 'General case' 0 C--N 1.36 1.032 0 C-N-CA 128.614 2.765 . . . . 0.0 117.553 174.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.5 p -122.46 109.28 14.17 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 177.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . 0.33 74.5 mmtt 82.71 -127.68 0.01 OUTLIER 'General case' 0 C--N 1.365 1.244 0 C-N-CA 128.586 2.754 . . . . 0.0 115.842 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.7 t 171.17 -156.55 0.01 OUTLIER 'General case' 0 C--N 1.366 1.29 0 C-N-CA 129.166 2.986 . . . . 0.0 103.657 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.4 m 179.17 141.92 0.12 Allowed 'General case' 0 C--N 1.36 1.029 0 C-N-CA 126.889 2.076 . . . . 0.0 106.918 177.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -110.8 51.11 0.78 Allowed 'General case' 0 C--N 1.362 1.148 0 C-N-CA 125.241 1.416 . . . . 0.0 110.916 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -153.77 145.71 13.3 Favored Glycine 0 C--N 1.354 1.557 0 N-CA-C 104.315 -3.514 . . . . 0.0 104.315 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . 0.254 28.9 tt0 -87.21 121.63 29.92 Favored 'General case' 0 C--N 1.365 1.249 0 CA-C-O 124.888 2.28 . . . . 0.0 116.902 -172.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -128.97 163.45 25.31 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 128.17 2.588 . . . . 0.0 107.942 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -134.83 132.39 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 C-N-CA 129.997 3.319 . . . . 0.0 103.048 -178.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.4 t -131.43 119.72 22.03 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 100.897 -3.742 . . . . 0.0 100.897 172.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 20.9 ttt -134.67 133.18 39.78 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 126.289 1.836 . . . . 0.0 109.839 -173.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.12 146.51 45.89 Favored 'General case' 0 C--N 1.367 1.344 0 CA-C-O 123.252 1.501 . . . . 0.0 108.884 172.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -118.04 130.33 56.1 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 102.837 -3.023 . . . . 0.0 102.837 171.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -118.57 119.52 34.74 Favored 'General case' 0 C--N 1.368 1.399 0 N-CA-C 106.09 -1.819 . . . . 0.0 106.09 175.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.9 t -118.79 134.8 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.879 0 CA-C-N 113.563 -1.653 . . . . 0.0 108.425 -169.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -133.09 118.95 19.35 Favored 'General case' 0 C--N 1.366 1.301 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 171.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.79 74.91 0.41 Allowed Glycine 0 C--N 1.364 2.135 0 C-N-CA 126.742 2.115 . . . . 0.0 108.861 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -98.09 72.4 0.62 Allowed Glycine 0 C--N 1.354 1.572 0 C-N-CA 127.313 2.387 . . . . 0.0 111.216 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.4 p -135.84 -88.53 0.32 Allowed 'General case' 0 C--N 1.349 0.563 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.2 m -110.64 141.38 43.94 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 104.607 -2.368 . . . . 0.0 104.607 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -52.29 -39.85 61.03 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 127.984 2.513 . . . . 0.0 115.451 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.76 -35.59 81.08 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 129.347 3.059 . . . . 0.0 114.621 175.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -62.74 -33.75 75.79 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 127.106 2.163 . . . . 0.0 113.72 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.07 93.44 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 128.068 2.547 . . . . 0.0 115.103 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -77.32 -30.86 54.26 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.13 1.372 . . . . 0.0 111.984 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -66.38 -43.2 86.53 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 126.45 1.9 . . . . 0.0 112.67 173.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.7 pt -68.18 -38.31 79.46 Favored 'Isoleucine or valine' 0 C--N 1.375 1.678 0 CA-C-N 119.809 1.186 . . . . 0.0 113.73 173.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 t -63.67 -49.5 72.96 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 127.768 2.427 . . . . 0.0 112.212 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.6 m -64.44 -39.93 94.77 Favored 'General case' 0 C--N 1.37 1.462 0 C-N-CA 127.995 2.518 . . . . 0.0 113.118 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -43.33 86.41 Favored 'General case' 0 C--N 1.377 1.767 0 C-N-CA 126.193 1.797 . . . . 0.0 114.108 173.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.333 3.1 p -67.94 -38.45 80.02 Favored 'Isoleucine or valine' 0 C--N 1.374 1.65 0 CA-C-N 121.541 1.973 . . . . 0.0 113.384 176.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.52 -41.24 89.11 Favored 'General case' 0 CA--C 1.572 1.795 0 C-N-CA 127.743 2.417 . . . . 0.0 113.362 171.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -66.18 -33.43 75.76 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 127.394 2.278 . . . . 0.0 113.183 171.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.75 -51.46 67.03 Favored 'General case' 0 C--N 1.369 1.428 0 C-N-CA 126.913 2.085 . . . . 0.0 112.099 171.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp -45.46 -37.71 5.47 Favored 'General case' 0 C--N 1.378 1.834 0 C-N-CA 131.276 3.83 . . . . 0.0 113.897 172.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.391 0.2 OUTLIER -107.36 9.56 29.84 Favored 'General case' 0 C--N 1.365 1.246 0 N-CA-C 116.998 2.222 . . . . 0.0 116.998 167.132 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE2' ' HB2' ' A' ' 20' ' ' SER 0.361 2.2 p90 -75.97 -46.96 26.95 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 117.661 -3.149 . . . . 0.0 105.936 177.722 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.288 11.6 ptpt -113.16 140.87 24.78 Favored Pre-proline 0 C--N 1.362 1.147 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 169.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -76.38 153.21 35.22 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.7 2.933 . . . . 0.0 110.52 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.4 mt -74.44 108.45 7.22 Favored 'General case' 0 C--N 1.36 1.046 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 24.7 ttt -144.41 141.78 29.89 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 125.897 1.679 . . . . 0.0 110.756 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -137.55 107.69 6.39 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.273 2.229 . . . . 0.0 105.92 175.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . 0.385 11.7 pt-20 61.5 -65.68 0.07 Allowed 'General case' 0 C--N 1.348 0.541 1 C-N-CA 134.847 5.259 . . . . 0.0 118.279 172.323 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -143.6 16.93 2.23 Favored Glycine 0 CA--C 1.491 -1.425 0 N-CA-C 106.822 -2.511 . . . . 0.0 106.822 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -121.28 124.66 45.15 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.2 m -117.09 128.81 55.51 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 104.629 -2.36 . . . . 0.0 104.629 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -111.62 132.42 54.58 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-O 122.494 1.14 . . . . 0.0 113.089 -171.055 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.7 t -107.22 128.85 61.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 C-N-CA 128.094 2.558 . . . . 0.0 110.849 -172.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.09 123.07 28.09 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 125.684 1.594 . . . . 0.0 113.532 -177.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -135.16 94.61 3.16 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 -175.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . 0.281 33.9 mmtp 84.15 145.46 0.07 Allowed 'General case' 0 C--N 1.358 0.94 0 C-N-CA 127.767 2.427 . . . . 0.0 115.763 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -148.71 160.07 43.53 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 124.587 1.155 . . . . 0.0 108.515 177.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.1 p -151.47 154.52 8.19 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 0 C-N-CA 126.575 1.95 . . . . 0.0 107.873 -175.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . 0.253 0.0 OUTLIER -153.25 99.96 2.41 Favored 'General case' 0 C--N 1.365 1.267 0 CA-C-O 122.803 1.287 . . . . 0.0 112.738 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -158.69 113.24 2.5 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 119.22 -2.175 . . . . 0.0 109.833 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -169.75 141.64 2.33 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 103.426 -2.805 . . . . 0.0 103.426 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.2 p -127.44 130.04 70.61 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 N-CA-C 105.385 -2.08 . . . . 0.0 105.385 175.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 23.4 mt -111.39 145.78 17.19 Favored 'Isoleucine or valine' 0 C--N 1.364 1.228 0 C-N-CA 124.491 1.116 . . . . 0.0 109.293 -175.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 3.7 m -70.74 141.83 51.46 Favored 'General case' 0 C--N 1.369 1.439 0 C-N-CA 130.842 3.657 . . . . 0.0 113.941 -176.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.35 118.88 37.69 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 126.352 1.861 . . . . 0.0 115.631 -175.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.9 p -73.39 -51.15 18.37 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 127.991 2.517 . . . . 0.0 114.619 174.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -90.98 1.51 57.0 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 129.184 2.993 . . . . 0.0 112.754 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.76 -3.99 85.91 Favored Glycine 0 C--N 1.358 1.781 0 C-N-CA 125.6 1.571 . . . . 0.0 115.397 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.8 p -127.91 102.07 8.15 Favored 'Isoleucine or valine' 0 C--N 1.355 0.806 0 CA-C-O 122.76 1.267 . . . . 0.0 111.098 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.1 t -92.89 121.56 34.37 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 126.861 2.064 . . . . 0.0 108.994 172.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -126.16 113.88 17.61 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 102.975 -2.972 . . . . 0.0 102.975 170.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -135.31 137.7 42.72 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 124.903 1.281 . . . . 0.0 110.709 -173.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -129.31 132.96 7.33 Favored Glycine 0 C--N 1.356 1.679 0 N-CA-C 107.843 -2.103 . . . . 0.0 107.843 172.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -121.01 129.62 75.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 88.8 mt -118.94 114.24 44.11 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 N-CA-C 103.741 -2.689 . . . . 0.0 103.741 172.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -119.58 119.93 35.23 Favored 'General case' 0 C--N 1.363 1.183 0 N-CA-C 105.121 -2.178 . . . . 0.0 105.121 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.27 146.8 27.35 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 CA-C-O 122.589 1.185 . . . . 0.0 110.248 -176.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -116.63 139.25 50.73 Favored 'General case' 0 C--N 1.361 1.103 0 C-N-CA 127.054 2.142 . . . . 0.0 107.067 177.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -124.6 140.36 53.01 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 103.332 -2.84 . . . . 0.0 103.332 175.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 9.1 m -124.23 143.2 50.66 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 105.177 -2.157 . . . . 0.0 105.177 -177.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 15.1 pt -114.43 143.79 23.4 Favored 'Isoleucine or valine' 0 C--N 1.363 1.174 0 O-C-N 119.899 -1.751 . . . . 0.0 111.274 176.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -175.64 174.58 2.21 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 175.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -158.56 151.24 22.12 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.046 -2.205 . . . . 0.0 105.046 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -107.71 10.69 28.86 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.234 1.814 . . . . 0.0 112.697 -178.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 24.5 m -84.73 90.89 7.82 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 126.735 2.014 . . . . 0.0 110.647 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.611 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 -176.648 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 15.1 tm0? . . . . . 0 N--CA 1.435 -1.207 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 84.44 24.14 48.15 Favored Glycine 0 C--N 1.361 1.936 0 C-N-CA 126.092 1.806 . . . . 0.0 116.613 171.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 13.0 tp 76.05 -52.18 0.62 Allowed 'General case' 0 C--N 1.36 1.058 0 C-N-CA 129.073 2.949 . . . . 0.0 113.241 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 79.74 31.62 0.24 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 130.154 3.382 . . . . 0.0 113.525 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . 0.3 66.5 p 94.45 -119.47 0.0 OUTLIER 'General case' 0 C--N 1.363 1.162 0 C-N-CA 131.459 3.903 . . . . 0.0 107.695 -176.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -110.64 -5.47 15.04 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 126.911 2.085 . . . . 0.0 107.732 175.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt 69.73 -58.42 0.52 Allowed 'General case' 0 C--N 1.375 1.705 0 C-N-CA 130.008 3.323 . . . . 0.0 113.588 -178.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.4 mt -58.11 -23.25 54.23 Favored 'General case' 0 C--N 1.365 1.251 1 C-N-CA 135.769 5.628 . . . . 0.0 112.923 176.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.9 -34.3 67.78 Favored 'General case' 0 C--N 1.364 1.237 0 C-N-CA 129.273 3.029 . . . . 0.0 114.232 174.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.425 ' HA ' ' CE2' ' A' ' 102' ' ' PHE . 3.1 m -61.67 -46.69 88.66 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 127.843 2.457 . . . . 0.0 113.805 176.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.368 51.1 ttm-85 -73.47 -37.52 65.74 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 128.836 2.854 . . . . 0.0 114.541 167.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.07 -23.01 4.66 Favored 'General case' 0 CA--C 1.569 1.695 0 O-C-N 117.735 -3.103 . . . . 0.0 115.022 169.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -34.3 65.24 Favored 'General case' 0 C--N 1.374 1.654 0 N-CA-C 117.071 2.249 . . . . 0.0 117.071 161.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.423 1.2 pp0? -70.14 -37.57 75.31 Favored 'General case' 0 C--N 1.381 1.97 0 C-N-CA 128.323 2.649 . . . . 0.0 110.013 172.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -66.57 -30.92 71.33 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 166.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.89 -32.5 67.49 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 127.626 2.371 . . . . 0.0 111.897 172.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.6 m -69.78 -45.52 67.82 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 128.917 2.887 . . . . 0.0 110.677 172.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.26 -31.19 52.79 Favored 'Isoleucine or valine' 0 C--N 1.366 1.325 0 C-N-CA 125.898 1.679 . . . . 0.0 113.051 171.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -70.49 -37.14 74.18 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 124.893 1.277 . . . . 0.0 112.763 171.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.432 ' HB3' ' HG2' ' A' ' 93' ' ' LYS 0.353 23.6 p30 -63.87 -35.09 79.49 Favored 'General case' 0 C--N 1.377 1.796 0 CA-C-N 121.395 1.907 . . . . 0.0 114.222 168.174 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.57 -42.76 97.31 Favored 'General case' 0 C--N 1.377 1.799 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 168.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -82.13 -21.88 36.45 Favored 'General case' 0 C--N 1.364 1.227 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 174.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.9 m -81.91 -25.45 34.95 Favored 'General case' 0 C--N 1.376 1.744 0 C-N-CA 125.903 1.681 . . . . 0.0 113.246 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.414 ' HB2' ' CD1' ' A' ' 92' ' ' TYR . 15.6 t80 -81.17 96.52 7.24 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 120.582 -1.324 . . . . 0.0 111.043 178.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.422 4.8 pt20 -40.87 -47.47 7.15 Favored Pre-proline 0 C--N 1.367 1.364 1 N-CA-C 121.964 4.061 . . . . 0.0 121.964 -173.989 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -65.78 -20.0 58.96 Favored 'Trans proline' 0 C--N 1.362 1.271 0 CA-C-N 127.886 3.852 . . . . 0.0 115.085 169.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tt -69.04 -41.84 77.14 Favored 'General case' 0 C--N 1.374 1.663 0 CA-C-N 121.564 1.984 . . . . 0.0 112.241 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 57.3 mmm -59.82 -27.73 66.86 Favored 'General case' 0 C--N 1.362 1.145 1 C-N-CA 132.125 4.17 . . . . 0.0 114.814 171.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -84.54 -39.19 19.1 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 128.01 2.524 . . . . 0.0 112.071 176.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 24.2 mmt -78.46 -41.09 33.67 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 125.89 1.676 . . . . 0.0 113.828 177.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.2 m -124.36 143.27 38.34 Favored 'Isoleucine or valine' 0 C--N 1.369 1.436 0 N-CA-C 101.968 -3.345 . . . . 0.0 101.968 167.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -102.25 -17.3 15.99 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 125.969 2.795 . . . . 0.0 110.748 176.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.397 48.4 mm-40 -98.37 39.36 1.25 Allowed 'General case' 0 N--CA 1.422 -1.861 1 C-N-CA 137.598 6.359 . . . . 0.0 115.198 -167.663 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.94 108.5 18.08 Favored 'Isoleucine or valine' 0 C--N 1.377 1.765 0 N-CA-C 104.745 -2.317 . . . . 0.0 104.745 175.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.7 t -131.55 145.39 51.7 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 113.977 -1.465 . . . . 0.0 113.636 -172.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -94.46 -7.44 41.38 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 124.967 1.307 . . . . 0.0 114.016 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.292 15.5 m -166.89 -74.14 0.0 OUTLIER Pre-proline 0 C--N 1.356 0.866 0 CA-C-O 115.308 -2.282 . . . . 0.0 111.019 177.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -72.92 137.4 26.73 Favored 'Trans proline' 0 C--N 1.367 1.545 0 C-N-CA 124.052 3.168 . . . . 0.0 113.051 -177.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.89 32.2 2.71 Favored Glycine 0 C--N 1.352 1.447 0 O-C-N 120.159 -1.588 . . . . 0.0 112.14 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.406 ' HA ' HG13 ' A' ' 45' ' ' VAL 0.422 0.0 OUTLIER -85.35 -16.94 38.26 Favored 'General case' 0 C--N 1.361 1.098 0 O-C-N 120.077 -1.837 . . . . 0.0 113.903 175.686 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -105.16 15.79 26.89 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 128.487 2.715 . . . . 0.0 114.105 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.68 154.57 58.9 Favored Pre-proline 0 C--N 1.367 1.332 0 C-N-CA 126.036 1.735 . . . . 0.0 110.366 176.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -75.81 152.79 37.46 Favored 'Trans proline' 0 CA--C 1.546 1.124 0 C-N-CA 124.201 3.267 . . . . 0.0 115.992 -171.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -71.49 138.78 83.67 Favored Pre-proline 0 C--N 1.364 1.22 0 C-N-CA 130.352 3.461 . . . . 0.0 115.709 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.1 148.09 84.38 Favored 'Cis proline' 0 CA--C 1.543 0.927 0 CA-C-N 122.134 1.798 . . . . 0.0 115.218 2.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -167.63 167.55 13.33 Favored 'General case' 0 CA--C 1.561 1.382 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 177.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.2 t -132.07 121.89 47.59 Favored 'Isoleucine or valine' 0 C--N 1.393 2.469 0 CA-C-O 123.517 1.627 . . . . 0.0 113.743 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.406 HG13 ' HA ' ' A' ' 37' ' ' LYS . 19.0 m -113.0 145.56 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 120.303 -1.498 . . . . 0.0 109.649 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.4 mp -95.24 137.02 24.51 Favored 'Isoleucine or valine' 0 C--N 1.368 1.398 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 173.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -154.2 -149.93 5.36 Favored Glycine 0 C--N 1.351 1.4 0 N-CA-C 105.935 -2.866 . . . . 0.0 105.935 175.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -146.53 160.79 41.68 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.865 -1.373 . . . . 0.0 108.763 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -125.95 152.83 45.14 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 127.628 2.371 . . . . 0.0 105.47 178.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.3 t -94.9 -170.18 2.16 Favored 'General case' 0 C--N 1.363 1.158 0 O-C-N 120.951 -1.093 . . . . 0.0 110.811 174.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.5 t 114.12 -12.12 0.01 OUTLIER 'General case' 0 C--N 1.359 0.997 0 C-N-CA 130.14 3.376 . . . . 0.0 109.269 -177.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.6 p -113.73 -52.56 0.05 OUTLIER Pre-proline 0 C--N 1.356 0.872 0 C-N-CA 128.367 2.667 . . . . 0.0 113.556 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -78.32 143.9 20.09 Favored 'Trans proline' 0 C--N 1.367 1.535 0 CA-C-N 128.141 3.943 . . . . 0.0 114.377 -175.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -132.53 150.5 52.15 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 104.991 -2.225 . . . . 0.0 104.991 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -82.05 55.4 2.79 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 125.691 1.596 . . . . 0.0 114.066 -177.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.6 t -165.51 158.38 15.72 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 104.299 -2.482 . . . . 0.0 104.299 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 73.08 103.09 0.07 Allowed 'General case' 0 C--N 1.359 0.995 0 C-N-CA 128.785 2.834 . . . . 0.0 115.392 177.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.2 m -58.65 61.48 0.0 OUTLIER 'General case' 0 C--N 1.373 1.592 0 C-N-CA 129.757 3.223 . . . . 0.0 115.928 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.8 m -74.84 57.69 0.79 Allowed 'General case' 0 C--N 1.352 0.692 0 C-N-CA 129.487 3.115 . . . . 0.0 114.319 -174.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -85.18 47.74 1.46 Allowed 'General case' 0 C--N 1.36 1.048 0 C-N-CA 125.724 1.61 . . . . 0.0 112.504 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 164.44 174.47 34.25 Favored Glycine 0 C--N 1.354 1.556 0 N-CA-C 106.913 -2.475 . . . . 0.0 106.913 -176.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . 0.275 15.8 tp10 84.31 -52.82 0.12 Allowed 'General case' 0 C--N 1.366 1.313 0 C-N-CA 129.834 3.254 . . . . 0.0 116.607 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -128.53 139.41 52.32 Favored 'General case' 0 C--N 1.359 1.017 0 CA-C-O 122.914 1.34 . . . . 0.0 112.638 -175.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -108.7 132.8 55.68 Favored 'Isoleucine or valine' 0 C--N 1.365 1.251 0 C-N-CA 130.198 3.399 . . . . 0.0 102.264 172.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 93.2 m -132.46 128.38 37.33 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 119.239 -2.163 . . . . 0.0 109.267 174.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -154.53 161.11 41.81 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 124.45 1.1 . . . . 0.0 109.374 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.65 163.47 28.86 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-O 123.26 1.505 . . . . 0.0 109.931 174.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -129.18 138.1 51.54 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 101.801 -3.407 . . . . 0.0 101.801 166.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -112.27 118.56 35.61 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 100.298 -3.964 . . . . 0.0 100.298 -178.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.4 t -121.31 111.13 30.08 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 N-CA-C 103.806 -2.664 . . . . 0.0 103.806 -165.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . 0.28 0.0 OUTLIER -130.87 138.18 49.7 Favored 'General case' 0 C--N 1.373 1.598 0 C-N-CA 115.566 -2.454 . . . . 0.0 112.484 -176.27 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.05 76.79 0.37 Allowed Glycine 0 C--N 1.371 2.495 0 C-N-CA 123.507 0.575 . . . . 0.0 112.664 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.97 95.56 2.01 Favored Glycine 0 C--N 1.362 1.978 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.0 m -177.98 -54.52 0.01 OUTLIER 'General case' 0 C--N 1.351 0.648 0 N-CA-C 103.934 -2.617 . . . . 0.0 103.934 -175.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.1 m -163.43 154.95 17.07 Favored 'General case' 0 C--N 1.361 1.082 0 N-CA-C 104.459 -2.423 . . . . 0.0 104.459 173.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -53.99 -35.11 61.5 Favored 'General case' 0 C--N 1.373 1.608 0 C-N-CA 129.289 3.036 . . . . 0.0 116.356 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.74 -35.97 64.3 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 129.028 2.931 . . . . 0.0 114.424 174.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -70.06 -39.27 75.77 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 124.555 1.142 . . . . 0.0 111.812 174.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.49 -42.51 74.68 Favored 'General case' 0 C--N 1.367 1.354 0 N-CA-C 116.627 2.084 . . . . 0.0 116.627 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -67.61 -39.65 84.72 Favored 'General case' 0 C--N 1.373 1.608 0 C-N-CA 126.643 1.977 . . . . 0.0 110.757 175.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -67.6 -51.94 44.4 Favored 'General case' 0 C--N 1.377 1.786 0 C-N-CA 124.567 1.147 . . . . 0.0 114.002 172.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.279 9.9 pt -60.5 -38.06 76.88 Favored 'Isoleucine or valine' 0 C--N 1.384 2.092 0 C-N-CA 125.967 1.707 . . . . 0.0 114.25 177.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.9 m -63.58 -40.75 97.76 Favored 'General case' 0 C--N 1.371 1.509 0 C-N-CA 125.562 1.545 . . . . 0.0 112.581 174.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 91.3 p -68.6 -42.26 78.42 Favored 'General case' 0 C--N 1.379 1.849 0 C-N-CA 127.741 2.416 . . . . 0.0 112.989 175.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -66.59 -35.17 79.55 Favored 'General case' 0 C--N 1.376 1.76 0 C-N-CA 125.479 1.512 . . . . 0.0 112.86 174.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.9 t -69.26 -50.21 54.36 Favored 'Isoleucine or valine' 0 C--N 1.379 1.86 0 C-N-CA 126.733 2.013 . . . . 0.0 113.317 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.509 0.0 OUTLIER -69.04 -35.73 76.92 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-N 123.838 3.017 . . . . 0.0 114.88 176.61 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -57.57 -47.96 80.66 Favored 'General case' 0 C--N 1.381 1.976 0 C-N-CA 126.929 2.091 . . . . 0.0 112.728 171.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.66 -50.23 74.62 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 129.0 2.92 . . . . 0.0 114.239 170.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.2 -41.51 18.3 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 129.925 3.29 . . . . 0.0 114.278 177.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.629 0.2 OUTLIER -108.51 10.54 27.22 Favored 'General case' 0 C--N 1.373 1.6 0 N-CA-C 116.828 2.159 . . . . 0.0 116.828 165.617 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.414 ' CD1' ' HB2' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -76.28 -43.51 41.33 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 118.108 -2.87 . . . . 0.0 109.871 177.623 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.432 ' HG2' ' HB3' ' A' ' 17' ' ' ASN . 3.6 tttp -122.62 94.08 47.9 Favored Pre-proline 0 C--N 1.35 0.61 0 N-CA-C 104.046 -2.575 . . . . 0.0 104.046 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -63.23 148.96 92.6 Favored 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 124.791 3.661 . . . . 0.0 115.845 -170.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.98 106.54 6.53 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 123.737 1.732 . . . . 0.0 115.274 -172.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 52.5 ttm -144.19 131.79 21.14 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 128.381 2.672 . . . . 0.0 107.807 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -135.41 120.42 18.7 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 104.363 -2.458 . . . . 0.0 104.363 173.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . 0.382 10.8 pt-20 66.67 25.86 9.76 Favored 'General case' 0 C--N 1.356 0.876 1 C-N-CA 132.742 4.417 . . . . 0.0 115.633 176.396 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.24 -1.83 70.49 Favored Glycine 0 C--N 1.357 1.728 0 C-N-CA 126.769 2.128 . . . . 0.0 112.689 -175.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -102.71 125.33 49.41 Favored 'General case' 0 C--N 1.359 0.981 0 O-C-N 121.497 -1.002 . . . . 0.0 109.51 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.77 142.87 29.76 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 127.469 2.308 . . . . 0.0 113.445 -175.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 7' ' ' SER 0.321 0.0 OUTLIER -128.69 144.09 51.08 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 124.524 1.13 . . . . 0.0 108.503 -179.609 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.9 t -106.39 121.48 59.0 Favored 'Isoleucine or valine' 0 C--N 1.349 0.56 0 C-N-CA 126.22 1.808 . . . . 0.0 108.258 -169.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.23 137.58 33.41 Favored 'General case' 0 C--N 1.368 1.394 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -93.27 97.89 10.91 Favored 'General case' 0 C--N 1.366 1.313 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 -177.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt 69.18 -125.38 0.12 Allowed 'General case' 0 C--N 1.362 1.142 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 172.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.2 mt -152.36 176.64 11.42 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 128.088 2.555 . . . . 0.0 105.743 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.1 47.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.004 0 C-N-CA 128.533 2.733 . . . . 0.0 117.008 -175.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . 0.367 0.6 OUTLIER 42.67 -115.41 0.34 Allowed 'General case' 0 C--N 1.367 1.36 0 C-N-CA 128.849 2.86 . . . . 0.0 118.579 -179.782 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -113.37 18.82 17.49 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 125.127 1.371 . . . . 0.0 111.852 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -82.76 11.12 6.3 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.869 2.067 . . . . 0.0 115.04 -176.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 54.3 t -117.46 116.02 50.54 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 C-N-CA 126.946 2.098 . . . . 0.0 105.351 174.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.7 mp -136.7 155.01 32.9 Favored 'Isoleucine or valine' 0 C--N 1.36 1.027 0 N-CA-C 102.899 -3.0 . . . . 0.0 102.899 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 24.0 m -109.17 141.89 40.75 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 127.106 2.162 . . . . 0.0 109.186 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -98.61 124.2 43.25 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 125.282 1.433 . . . . 0.0 109.647 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.1 p -71.63 -21.27 61.85 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 127.453 2.301 . . . . 0.0 115.381 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -90.39 -7.87 52.1 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 126.368 1.867 . . . . 0.0 113.541 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.52 1.99 82.82 Favored Glycine 0 C--N 1.367 2.26 0 O-C-N 120.581 -1.324 . . . . 0.0 115.122 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 25.3 m -65.04 151.68 9.61 Favored 'Isoleucine or valine' 0 C--N 1.362 1.12 0 C-N-CA 130.231 3.413 . . . . 0.0 115.587 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.1 t -47.95 142.23 5.17 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 127.333 2.253 . . . . 0.0 116.465 -177.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 44.4 tttp -126.28 140.46 52.51 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 105.398 -2.075 . . . . 0.0 105.398 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -134.51 127.63 31.77 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.57 144.22 15.82 Favored Glycine 0 C--N 1.351 1.403 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 11.6 tt -115.27 116.1 51.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 103.921 -2.622 . . . . 0.0 103.921 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 31.7 mt -106.1 115.73 48.38 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 -177.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -102.82 131.38 49.73 Favored 'General case' 0 C--N 1.363 1.185 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 175.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . 0.252 14.0 t -118.72 132.31 68.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 172.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -116.05 123.66 48.49 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 102.895 -3.002 . . . . 0.0 102.895 176.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.71 133.45 52.12 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 126.119 1.767 . . . . 0.0 106.745 -172.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 89.7 m -131.35 143.16 50.29 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.853 -1.154 . . . . 0.0 109.744 -171.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.64 115.14 43.59 Favored 'Isoleucine or valine' 0 C--N 1.364 1.212 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 176.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -89.28 -39.49 13.45 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 125.753 1.621 . . . . 0.0 110.773 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . 0.284 79.5 m-20 81.31 66.39 0.02 OUTLIER 'General case' 0 C--N 1.356 0.866 0 C-N-CA 129.789 3.236 . . . . 0.0 114.381 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -118.19 30.83 7.01 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 125.657 1.583 . . . . 0.0 108.77 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 8.3 t -117.64 105.38 11.97 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 127.427 2.291 . . . . 0.0 106.983 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.901 0 C-N-CA 124.973 1.273 . . . . 0.0 112.857 -177.486 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 . . . . . 0 N--CA 1.441 -0.889 0 CA-C-O 121.502 0.668 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 165.66 138.47 2.43 Favored Glycine 0 C--N 1.35 1.342 0 C-N-CA 126.12 1.819 . . . . 0.0 109.133 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 43.7 tp -164.42 167.9 19.1 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 104.583 -2.377 . . . . 0.0 104.583 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.0 148.92 45.63 Favored 'General case' 0 C--N 1.357 0.907 0 N-CA-C 104.071 -2.566 . . . . 0.0 104.071 174.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -81.74 12.88 3.54 Favored 'General case' 0 C--N 1.362 1.111 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 -177.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -169.55 166.2 10.13 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.345 75.2 mmtt 102.79 -28.21 0.01 OUTLIER 'General case' 0 C--N 1.37 1.488 0 C-N-CA 130.152 3.381 . . . . 0.0 112.978 178.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -70.51 -43.26 70.02 Favored 'General case' 0 C--N 1.364 1.216 0 C-N-CA 127.964 2.506 . . . . 0.0 113.529 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.18 -43.2 78.67 Favored 'General case' 0 C--N 1.363 1.184 0 C-N-CA 125.644 1.577 . . . . 0.0 114.656 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.0 m -61.15 -47.82 84.46 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 125.754 1.622 . . . . 0.0 114.031 177.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.552 49.1 tpt85 -72.15 -37.04 69.49 Favored 'General case' 0 C--O 1.243 0.722 0 C-N-CA 129.022 2.929 . . . . 0.0 114.147 175.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.85 -23.38 18.15 Favored 'General case' 0 CA--C 1.565 1.529 0 O-C-N 118.974 -2.329 . . . . 0.0 115.543 165.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 102' ' ' PHE 0.257 0.3 OUTLIER -60.15 -31.1 69.78 Favored 'General case' 0 C--N 1.383 2.04 0 O-C-N 119.755 -1.841 . . . . 0.0 114.808 161.782 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.262 48.7 mt-30 -69.39 -36.9 77.22 Favored 'General case' 0 C--N 1.378 1.814 0 C-N-CA 126.282 1.833 . . . . 0.0 109.949 173.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -62.41 -40.79 97.66 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 165.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.45 74.83 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 126.762 2.025 . . . . 0.0 112.419 173.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.8 m -69.59 -40.85 76.45 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 129.35 3.06 . . . . 0.0 109.816 174.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.7 -31.24 50.25 Favored 'Isoleucine or valine' 0 C--N 1.377 1.8 0 O-C-N 119.729 -1.857 . . . . 0.0 111.708 166.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -68.1 -36.93 80.57 Favored 'General case' 0 C--N 1.367 1.364 0 N-CA-C 116.293 1.96 . . . . 0.0 116.293 169.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.441 ' HB3' ' CG ' ' A' ' 93' ' ' LYS 0.273 0.5 OUTLIER -65.79 -35.49 80.85 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-N 120.407 1.458 . . . . 0.0 113.485 163.565 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.1 mt -65.59 -36.19 83.03 Favored 'General case' 0 C--N 1.366 1.314 0 CA-C-N 120.515 1.507 . . . . 0.0 115.011 174.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -83.2 -26.17 31.09 Favored 'General case' 0 C--N 1.373 1.621 0 C-N-CA 123.277 0.631 . . . . 0.0 112.14 173.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 m -83.31 -20.69 33.92 Favored 'General case' 0 C--N 1.382 1.992 0 O-C-N 120.604 -1.31 . . . . 0.0 113.128 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -91.38 94.05 9.32 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-O 123.266 1.508 . . . . 0.0 111.065 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.35 3.5 pt20 -53.65 -37.95 57.07 Favored Pre-proline 0 C--N 1.359 0.987 0 N-CA-C 119.246 3.054 . . . . 0.0 119.246 178.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -63.76 -19.03 66.46 Favored 'Trans proline' 0 C--N 1.362 1.283 0 C-N-CA 125.179 3.919 . . . . 0.0 114.107 167.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.92 -19.86 58.46 Favored 'General case' 0 C--N 1.376 1.736 0 CA-C-N 121.474 1.943 . . . . 0.0 113.819 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 59.6 mtt -66.81 -28.96 68.79 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 129.674 3.19 . . . . 0.0 114.059 177.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -94.41 -12.85 27.03 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 128.147 2.579 . . . . 0.0 111.782 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 25.8 mmt -102.62 -35.37 8.73 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 127.782 2.433 . . . . 0.0 114.677 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 p -123.52 145.36 30.64 Favored 'Isoleucine or valine' 0 C--N 1.363 1.18 0 O-C-N 120.263 -1.523 . . . . 0.0 109.701 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -102.17 -43.34 5.76 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 125.518 2.58 . . . . 0.0 113.267 177.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.719 0.0 OUTLIER -114.69 41.08 2.43 Favored 'General case' 0 CA--C 1.49 -1.336 1 C-N-CA 133.903 4.881 . . . . 0.0 117.126 -166.596 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.6 p -85.15 111.91 21.35 Favored 'Isoleucine or valine' 0 C--N 1.358 0.972 0 O-C-N 120.371 -1.456 . . . . 0.0 110.037 -176.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 t -145.84 162.15 38.36 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-O 123.6 1.667 . . . . 0.0 115.058 -173.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -110.87 47.89 0.96 Allowed 'General case' 0 C--N 1.363 1.181 0 C-N-CA 127.36 2.264 . . . . 0.0 107.789 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.5 p -152.38 168.09 11.99 Favored Pre-proline 0 C--N 1.352 0.7 0 C-N-CA 126.926 2.091 . . . . 0.0 107.527 -175.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -70.51 141.38 42.05 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 124.42 3.413 . . . . 0.0 112.784 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.23 51.71 0.02 OUTLIER Glycine 0 C--N 1.357 1.735 0 N-CA-C 106.452 -2.659 . . . . 0.0 106.452 -172.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.29 -13.65 51.93 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 126.824 2.049 . . . . 0.0 111.962 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -106.43 15.76 25.57 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 130.51 3.524 . . . . 0.0 111.737 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -90.23 166.97 18.01 Favored Pre-proline 0 C--N 1.364 1.211 0 CA-C-O 116.724 -1.607 . . . . 0.0 112.052 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -65.26 139.23 59.24 Favored 'Trans proline' 0 C--N 1.364 1.386 0 C-N-CA 124.802 3.668 . . . . 0.0 118.617 -168.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -81.3 127.06 75.08 Favored Pre-proline 0 C--N 1.356 0.877 0 C-N-CA 129.151 2.98 . . . . 0.0 114.464 -176.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -81.26 149.63 75.68 Favored 'Cis proline' 0 CA--C 1.554 1.507 0 CA-C-N 123.75 2.375 . . . . 0.0 115.021 0.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -165.35 166.69 18.44 Favored 'General case' 0 C--N 1.372 1.559 0 C-N-CA 125.02 1.328 . . . . 0.0 112.899 -174.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.4 t -138.53 138.54 42.51 Favored 'Isoleucine or valine' 0 C--N 1.389 2.297 0 CA-C-O 122.934 1.35 . . . . 0.0 113.152 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 m -117.41 143.66 27.29 Favored 'Isoleucine or valine' 0 C--N 1.359 1.002 0 O-C-N 120.779 -1.2 . . . . 0.0 107.79 163.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.9 mt -110.38 136.42 46.44 Favored 'Isoleucine or valine' 0 C--N 1.36 1.032 0 C-N-CA 127.149 2.179 . . . . 0.0 106.742 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.66 -118.27 0.77 Allowed Glycine 0 CA--C 1.495 -1.158 0 O-C-N 120.59 -1.319 . . . . 0.0 111.758 177.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -142.34 148.46 37.99 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 127.835 2.454 . . . . 0.0 105.214 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.9 142.04 28.31 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 128.132 2.573 . . . . 0.0 117.553 -171.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.5 m -46.97 -18.99 0.09 Allowed 'General case' 0 C--N 1.371 1.539 1 C-N-CA 132.378 4.271 . . . . 0.0 121.094 -178.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 80.9 p -83.88 -28.41 27.97 Favored 'General case' 0 C--N 1.371 1.532 0 C-N-CA 124.835 1.254 . . . . 0.0 111.478 173.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.347 58.4 p 85.96 126.59 0.03 OUTLIER Pre-proline 0 C--N 1.363 1.162 0 C-N-CA 130.154 3.381 . . . . 0.0 117.202 173.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -84.62 133.49 5.24 Favored 'Trans proline' 0 CA--C 1.548 1.18 0 C-N-CA 123.867 3.044 . . . . 0.0 111.113 171.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -132.07 139.75 48.63 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 123.832 0.853 . . . . 0.0 108.794 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 73.53 64.49 0.09 Allowed 'General case' 0 C--N 1.363 1.187 0 C-N-CA 128.476 2.711 . . . . 0.0 115.546 177.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.1 p -122.85 109.4 14.13 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -81.97 60.07 4.63 Favored 'General case' 0 C--N 1.362 1.109 0 CA-C-O 123.59 1.662 . . . . 0.0 113.519 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.4 p -96.82 12.47 32.02 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 128.797 2.839 . . . . 0.0 112.189 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.7 m -67.21 -33.65 75.81 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 129.592 3.157 . . . . 0.0 116.403 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -149.52 56.78 0.99 Allowed 'General case' 0 C--N 1.352 0.715 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -152.12 136.01 5.25 Favored Glycine 0 C--N 1.348 1.246 0 N-CA-C 104.559 -3.416 . . . . 0.0 104.559 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -77.7 67.23 3.55 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 117.43 2.381 . . . . 0.0 117.43 -172.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -118.03 169.95 9.25 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 123.053 1.406 . . . . 0.0 112.453 176.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 mp -137.4 135.04 46.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 N-CA-C 100.548 -3.871 . . . . 0.0 100.548 176.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 t -131.97 129.2 39.87 Favored 'General case' 0 C--N 1.359 1.022 0 N-CA-C 104.914 -2.254 . . . . 0.0 104.914 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 41.9 mtp -127.32 128.18 45.52 Favored 'General case' 0 CA--C 1.501 -0.936 0 C-N-CA 126.434 1.894 . . . . 0.0 108.982 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.53 144.85 44.68 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 166.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -127.26 136.52 52.11 Favored 'General case' 0 C--O 1.244 0.767 0 N-CA-C 104.066 -2.568 . . . . 0.0 104.066 174.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -119.28 117.89 29.79 Favored 'General case' 0 C--N 1.359 0.994 0 N-CA-C 102.343 -3.206 . . . . 0.0 102.343 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.2 m -127.68 126.4 66.96 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 -168.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.435 ' HE1' ' CE1' ' A' ' 122' ' ' HIS . 4.6 m-90 -124.61 137.19 54.4 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 117.954 -1.499 . . . . 0.0 107.461 177.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.4 171.45 21.9 Favored Glycine 0 C--N 1.356 1.684 0 N-CA-C 107.539 -2.224 . . . . 0.0 107.539 172.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -144.67 149.24 21.32 Favored Glycine 0 C--N 1.349 1.294 0 N-CA-C 107.48 -2.248 . . . . 0.0 107.48 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.255 88.7 m 138.76 -58.74 0.0 OUTLIER 'General case' 0 C--N 1.364 1.21 0 C-N-CA 130.417 3.487 . . . . 0.0 108.585 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.9 m -160.42 155.98 25.36 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -56.63 -35.32 68.19 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 128.848 2.859 . . . . 0.0 116.761 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.28 80.1 Favored 'General case' 0 C--N 1.364 1.199 0 C-N-CA 129.745 3.218 . . . . 0.0 114.222 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -61.5 -33.48 73.87 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 128.452 2.701 . . . . 0.0 113.502 176.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.27 -34.15 77.67 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 127.36 2.264 . . . . 0.0 113.236 173.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -77.81 -34.92 51.86 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 126.879 2.071 . . . . 0.0 111.68 174.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.7 -43.85 83.26 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 126.797 2.039 . . . . 0.0 113.335 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.0 pt -67.27 -37.56 79.32 Favored 'Isoleucine or valine' 0 C--N 1.374 1.641 0 C-N-CA 126.003 1.721 . . . . 0.0 112.348 174.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 t -68.4 -39.29 81.7 Favored 'General case' 0 C--N 1.372 1.548 0 C-N-CA 126.7 2.0 . . . . 0.0 112.519 173.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.9 t -59.3 -37.69 78.37 Favored 'General case' 0 C--N 1.374 1.669 0 C-N-CA 128.258 2.623 . . . . 0.0 112.228 168.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -44.1 73.02 Favored 'General case' 0 C--N 1.373 1.6 0 C-N-CA 126.985 2.114 . . . . 0.0 114.011 170.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.349 1.7 p -67.99 -41.03 84.23 Favored 'Isoleucine or valine' 0 C--N 1.381 1.955 0 CA-C-N 121.861 2.119 . . . . 0.0 112.976 176.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.28 -44.47 96.45 Favored 'General case' 0 C--N 1.372 1.572 0 C-N-CA 130.522 3.529 . . . . 0.0 112.242 172.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -61.58 -41.0 96.78 Favored 'General case' 0 C--N 1.377 1.773 0 C-N-CA 126.021 1.728 . . . . 0.0 113.679 170.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.83 -51.24 70.85 Favored 'General case' 0 C--N 1.376 1.72 0 CA-C-N 120.497 1.499 . . . . 0.0 112.744 168.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.9 mt -53.15 -40.23 64.13 Favored 'General case' 0 C--N 1.383 2.034 0 N-CA-C 116.916 2.191 . . . . 0.0 116.916 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.365 0.2 OUTLIER -100.03 9.18 43.29 Favored 'General case' 0 C--N 1.369 1.454 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 170.539 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -49.71 13.63 Favored 'General case' 0 C--N 1.363 1.169 0 O-C-N 119.114 -2.241 . . . . 0.0 107.07 178.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.441 ' CG ' ' HB3' ' A' ' 17' ' ' ASN 0.286 12.9 ptpt -117.99 113.93 37.43 Favored Pre-proline 0 C--N 1.357 0.908 0 N-CA-C 103.579 -2.749 . . . . 0.0 103.579 169.625 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -62.04 149.82 88.9 Favored 'Trans proline' 0 C--N 1.37 1.689 0 C-N-CA 124.544 3.496 . . . . 0.0 114.921 -172.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.6 mt -73.81 107.66 6.18 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -171.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 47.2 ttm -144.49 141.44 29.55 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 126.253 1.821 . . . . 0.0 111.268 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -137.33 110.61 7.87 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 66.1 12.63 8.63 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 130.535 3.534 . . . . 0.0 115.769 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.43 -2.11 34.66 Favored Glycine 0 C--N 1.348 1.215 0 C-N-CA 125.776 1.655 . . . . 0.0 111.119 -170.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -93.34 123.57 36.72 Favored 'General case' 0 C--N 1.37 1.5 0 CA-C-N 120.149 1.975 . . . . 0.0 109.127 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.23 137.86 40.8 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 127.323 2.249 . . . . 0.0 112.788 -175.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -132.68 117.1 17.46 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 126.999 2.119 . . . . 0.0 107.687 -179.276 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.1 t -109.85 146.25 15.44 Favored 'Isoleucine or valine' 0 C--N 1.362 1.116 0 C-N-CA 125.806 1.642 . . . . 0.0 108.885 -174.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.01 124.22 28.99 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 126.264 1.825 . . . . 0.0 115.126 -171.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -142.99 95.08 2.71 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 125.746 1.618 . . . . 0.0 107.906 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt 112.1 114.77 0.0 OUTLIER 'General case' 0 C--N 1.366 1.322 0 C-N-CA 130.213 3.405 . . . . 0.0 109.739 -177.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.9 tp -148.14 144.64 27.92 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 104.091 -2.559 . . . . 0.0 104.091 -176.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . 0.358 88.6 t 111.1 154.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.369 1.44 0 C-N-CA 130.311 3.444 . . . . 0.0 109.3 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 13.9 tp -171.61 -172.49 1.05 Allowed 'General case' 0 C--N 1.366 1.311 0 C-N-CA 129.996 3.318 . . . . 0.0 102.377 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -163.63 -170.05 2.1 Favored 'General case' 0 C--N 1.36 1.032 0 CA-C-N 121.17 1.804 . . . . 0.0 110.4 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . 0.302 3.6 tp-100 116.5 142.47 0.0 OUTLIER 'General case' 0 C--N 1.37 1.49 0 C-N-CA 130.326 3.45 . . . . 0.0 113.637 175.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 40.0 t -115.66 129.66 71.61 Favored 'Isoleucine or valine' 0 C--N 1.363 1.162 0 C-N-CA 127.204 2.202 . . . . 0.0 105.653 174.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.9 tp -111.23 139.35 35.62 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 C-N-CA 125.756 1.622 . . . . 0.0 107.839 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 15.0 p -91.18 115.67 28.21 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 126.606 1.963 . . . . 0.0 113.259 -178.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 54.7 p-10 -100.68 171.61 7.59 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 125.006 1.323 . . . . 0.0 112.823 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.1 m -52.5 -31.13 33.67 Favored 'General case' 0 C--N 1.368 1.386 0 C-N-CA 131.152 3.781 . . . . 0.0 117.995 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -87.74 -14.7 39.06 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 127.118 2.167 . . . . 0.0 113.704 178.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 79.84 -5.58 61.43 Favored Glycine 0 C--N 1.363 2.045 0 C-N-CA 127.772 2.606 . . . . 0.0 117.474 176.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.2 p -127.77 100.72 6.38 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 N-CA-C 103.957 -2.609 . . . . 0.0 103.957 174.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.5 m -91.6 130.68 37.37 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 126.934 2.094 . . . . 0.0 112.369 -176.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -113.54 110.39 20.18 Favored 'General case' 0 C--N 1.362 1.13 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 169.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.435 ' CE1' ' HE1' ' A' ' 71' ' ' TRP . 11.8 t-160 -137.95 137.56 38.09 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 125.417 1.487 . . . . 0.0 108.491 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -114.34 134.97 12.07 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 107.118 -2.393 . . . . 0.0 107.118 166.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -123.64 127.31 73.92 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.744 0 N-CA-C 103.166 -2.902 . . . . 0.0 103.166 176.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.4 tp -133.95 124.91 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 N-CA-C 103.899 -2.63 . . . . 0.0 103.899 -177.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -132.63 134.11 44.47 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 -175.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.2 p -144.14 140.51 24.78 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 CA-C-O 122.576 1.179 . . . . 0.0 109.61 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 53.2 ttm-85 -118.77 140.02 50.62 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 126.437 1.895 . . . . 0.0 107.976 175.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -124.63 152.92 43.01 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 125.323 1.449 . . . . 0.0 109.333 -178.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.8 m -109.73 140.38 43.68 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 125.518 1.527 . . . . 0.0 109.375 176.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 9.3 tt -125.8 117.88 50.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 103.079 -2.934 . . . . 0.0 103.079 172.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 87.49 152.23 0.06 Allowed 'General case' 0 C--N 1.362 1.14 0 C-N-CA 129.78 3.232 . . . . 0.0 111.619 -175.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -122.18 -96.07 0.47 Allowed 'General case' 0 C--N 1.354 0.802 0 O-C-N 121.406 -0.809 . . . . 0.0 110.522 -176.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -80.09 -28.38 39.09 Favored 'General case' 0 C--N 1.362 1.129 0 N-CA-C 115.821 1.786 . . . . 0.0 115.821 -175.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 31.0 m -118.04 135.57 54.09 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 126.182 1.793 . . . . 0.0 106.265 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.364 2.094 0 C-N-CA 124.699 1.142 . . . . 0.0 113.455 177.913 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 . . . . . 0 N--CA 1.442 -0.852 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -105.23 157.68 16.31 Favored Glycine 0 C--N 1.354 1.577 0 C-N-CA 126.812 2.148 . . . . 0.0 110.525 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . 0.312 3.1 mm? 82.66 29.16 0.11 Allowed 'General case' 0 C--N 1.361 1.099 0 C-N-CA 128.168 2.587 . . . . 0.0 112.657 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -76.75 84.0 3.36 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 128.018 2.527 . . . . 0.0 111.548 177.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.5 p -80.61 85.28 6.03 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 127.006 2.123 . . . . 0.0 113.893 -176.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.287 0.1 OUTLIER -76.32 62.07 1.75 Allowed 'General case' 0 C--N 1.365 1.275 0 O-C-N 119.599 -1.938 . . . . 0.0 115.595 -179.663 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -73.27 -13.57 61.15 Favored 'General case' 0 C--N 1.372 1.55 0 C-N-CA 129.151 2.981 . . . . 0.0 110.33 172.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.7 mt -72.8 -28.31 62.49 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 131.049 3.74 . . . . 0.0 111.277 171.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.2 80.37 Favored 'General case' 0 C--N 1.378 1.834 0 C-N-CA 126.22 1.808 . . . . 0.0 114.505 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.6 m -64.92 -47.34 78.08 Favored 'General case' 0 C--N 1.365 1.242 0 CA-C-O 124.578 2.133 . . . . 0.0 112.943 176.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.49 56.2 ttp180 -73.85 -38.75 64.38 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 128.666 2.786 . . . . 0.0 115.291 174.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -23.48 65.22 Favored 'General case' 0 C--N 1.365 1.278 0 O-C-N 118.026 -2.921 . . . . 0.0 114.077 168.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.422 HD23 ' CD1' ' A' ' 102' ' ' PHE 0.445 0.2 OUTLIER -68.36 -28.62 67.28 Favored 'General case' 0 C--N 1.372 1.571 0 O-C-N 119.422 -2.049 . . . . 0.0 112.332 166.717 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -43.02 99.29 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 126.068 1.747 . . . . 0.0 111.554 170.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.384 0.0 OUTLIER -65.06 -30.17 71.11 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 170.726 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.65 -33.37 70.89 Favored 'General case' 0 C--N 1.365 1.28 0 O-C-N 120.367 -1.458 . . . . 0.0 114.515 167.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.273 28.9 p -69.03 -40.04 78.86 Favored 'General case' 0 C--N 1.382 2.022 0 C-N-CA 125.415 1.486 . . . . 0.0 110.844 168.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.45 -39.02 83.0 Favored 'Isoleucine or valine' 0 C--N 1.365 1.239 0 C-N-CA 124.782 1.233 . . . . 0.0 113.655 174.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -70.27 -29.06 65.73 Favored 'General case' 0 C--N 1.367 1.357 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 170.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -64.05 -44.85 91.19 Favored 'General case' 0 C--N 1.372 1.586 0 O-C-N 119.113 -2.242 . . . . 0.0 111.788 168.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.6 mt -64.44 -31.4 72.59 Favored 'General case' 0 C--N 1.362 1.147 0 O-C-N 120.794 -1.192 . . . . 0.0 113.993 175.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -33.58 65.9 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 126.271 1.828 . . . . 0.0 112.756 168.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.0 m -81.93 -18.41 43.71 Favored 'General case' 0 C--N 1.376 1.761 0 C-N-CA 125.937 1.695 . . . . 0.0 115.239 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -87.24 99.53 12.02 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 120.557 -1.339 . . . . 0.0 111.61 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.41 7.0 pt20 -42.15 -48.42 11.54 Favored Pre-proline 0 C--N 1.364 1.213 0 N-CA-C 121.064 3.727 . . . . 0.0 121.064 -177.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -66.5 -22.95 50.89 Favored 'Trans proline' 0 CA--C 1.551 1.357 0 CA-C-N 127.839 3.835 . . . . 0.0 115.609 166.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.45 -32.13 67.98 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-N 121.819 2.099 . . . . 0.0 113.147 -177.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 46.5 mtp -56.66 -28.45 60.7 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 130.246 3.418 . . . . 0.0 114.556 166.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -94.95 -14.69 24.2 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.169 2.188 . . . . 0.0 112.384 175.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.15 -39.18 10.71 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 127.714 2.406 . . . . 0.0 110.678 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 m -134.17 144.87 34.12 Favored 'Isoleucine or valine' 0 C--N 1.364 1.198 0 N-CA-C 104.301 -2.481 . . . . 0.0 104.301 173.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -100.93 -42.66 6.34 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 128.168 2.587 . . . . 0.0 114.011 -176.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.804 14.6 mm-40 -98.43 41.14 1.15 Allowed 'General case' 0 CA--C 1.5 -0.948 1 C-N-CA 133.469 4.707 . . . . 0.0 115.968 -172.63 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -84.99 107.69 16.19 Favored 'Isoleucine or valine' 0 C--N 1.361 1.077 0 CA-C-O 124.351 2.024 . . . . 0.0 106.662 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.6 t -147.4 168.87 20.75 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 112.12 -2.309 . . . . 0.0 112.141 -169.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -101.28 -17.95 16.33 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 127.508 2.323 . . . . 0.0 111.331 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.274 10.6 m -169.5 -67.63 0.0 OUTLIER Pre-proline 0 C--N 1.363 1.182 0 CA-C-O 116.171 -1.871 . . . . 0.0 112.0 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -72.49 136.39 26.03 Favored 'Trans proline' 0 C--N 1.364 1.375 0 CA-C-N 127.241 3.622 . . . . 0.0 111.001 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.93 4.72 57.69 Favored Glycine 0 C--N 1.353 1.523 0 O-C-N 121.224 -0.922 . . . . 0.0 112.453 -168.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.25 0.1 OUTLIER -79.02 -21.58 46.73 Favored 'General case' 0 C--N 1.373 1.605 0 O-C-N 120.387 -1.655 . . . . 0.0 114.977 -179.069 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -99.12 10.89 40.54 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 128.032 2.533 . . . . 0.0 112.551 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.32 164.19 28.3 Favored Pre-proline 0 C--N 1.358 0.961 0 C-N-CA 125.64 1.576 . . . . 0.0 110.257 178.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.25 163.0 15.2 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.754 2.969 . . . . 0.0 114.036 -174.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.413 ' CE1' ' CE1' ' A' ' 43' ' ' TYR . 73.6 m-85 -65.98 147.03 98.99 Favored Pre-proline 0 C--N 1.364 1.204 0 C-N-CA 129.359 3.063 . . . . 0.0 115.195 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -81.94 147.9 68.84 Favored 'Cis proline' 0 CA--C 1.549 1.253 0 CA-C-N 121.131 1.44 . . . . 0.0 114.253 2.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.413 ' CE1' ' CE1' ' A' ' 41' ' ' TYR . 25.8 p90 -166.74 167.82 14.82 Favored 'General case' 0 C--N 1.367 1.337 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.1 t -135.28 128.57 48.83 Favored 'Isoleucine or valine' 0 C--N 1.395 2.547 0 CA-C-O 123.132 1.444 . . . . 0.0 109.709 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.7 m -119.04 143.58 29.81 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 O-C-N 120.259 -1.525 . . . . 0.0 110.025 173.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 37.4 mm -78.63 139.85 17.82 Favored 'Isoleucine or valine' 0 C--N 1.366 1.31 0 C-N-CA 127.291 2.236 . . . . 0.0 109.881 170.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.04 -166.01 20.02 Favored Glycine 0 CA--C 1.493 -1.333 0 N-CA-C 107.028 -2.429 . . . . 0.0 107.028 174.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -145.97 145.51 30.68 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 102.996 -2.964 . . . . 0.0 102.996 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -88.45 126.65 35.33 Favored 'General case' 0 C--N 1.359 0.987 0 O-C-N 120.547 -1.346 . . . . 0.0 111.77 -174.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.9 t -131.39 158.36 40.96 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 120.124 -1.61 . . . . 0.0 108.976 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.9 m 167.58 -46.74 0.0 OUTLIER 'General case' 0 C--N 1.356 0.868 0 C-N-CA 130.407 3.483 . . . . 0.0 104.471 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.7 m -91.45 -56.36 0.25 Allowed Pre-proline 0 C--N 1.36 1.023 0 C-N-CA 126.257 1.823 . . . . 0.0 110.818 172.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.08 113.53 3.81 Favored 'Trans proline' 0 C--N 1.368 1.58 0 CA-C-N 125.302 2.929 . . . . 0.0 113.203 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -135.37 101.95 4.99 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 101.299 -3.593 . . . . 0.0 101.299 171.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 64.59 26.35 13.25 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 127.211 2.204 . . . . 0.0 113.731 -173.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.33 157.66 42.77 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 120.649 -1.282 . . . . 0.0 109.421 -174.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -77.36 154.19 33.02 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 128.008 2.523 . . . . 0.0 114.638 -177.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 p -82.87 -50.39 8.66 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 128.735 2.814 . . . . 0.0 114.275 -177.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.1 m -170.43 101.56 0.26 Allowed 'General case' 0 C--N 1.352 0.684 0 CA-C-O 122.366 1.079 . . . . 0.0 110.019 173.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 76.42 -70.74 0.13 Allowed 'General case' 0 C--N 1.364 1.221 0 C-N-CA 129.246 3.018 . . . . 0.0 114.87 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 139.11 -36.47 1.87 Allowed Glycine 0 C--N 1.354 1.56 0 C-N-CA 127.108 2.289 . . . . 0.0 108.384 -172.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -93.08 49.14 1.39 Allowed 'General case' 0 C--N 1.357 0.901 0 C-N-CA 127.604 2.361 . . . . 0.0 112.69 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -156.94 159.18 37.84 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 102.071 -3.307 . . . . 0.0 102.071 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.1 121.81 60.43 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 N-CA-C 102.008 -3.331 . . . . 0.0 102.008 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.3 p -128.43 119.32 24.73 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-O 117.146 -1.407 . . . . 0.0 108.801 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 3.7 tpt -154.19 162.14 41.38 Favored 'General case' 0 C--N 1.37 1.488 0 CA-C-N 119.409 1.004 . . . . 0.0 109.991 174.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.38 163.88 28.69 Favored 'General case' 0 C--N 1.36 1.033 0 O-C-N 119.897 -1.752 . . . . 0.0 110.046 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.63 150.23 49.57 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 104.201 -2.518 . . . . 0.0 104.201 172.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -112.04 118.82 36.46 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 100.262 -3.977 . . . . 0.0 100.262 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.8 t -119.52 111.65 33.94 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.15 0 N-CA-C 103.916 -2.624 . . . . 0.0 103.916 -168.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -133.93 139.56 46.21 Favored 'General case' 0 C--N 1.366 1.306 0 C-N-CA 116.145 -2.222 . . . . 0.0 107.964 -177.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -127.83 174.19 18.67 Favored Glycine 0 C--N 1.36 1.87 0 CA-C-O 122.116 0.842 . . . . 0.0 111.916 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -129.45 -154.2 8.1 Favored Glycine 0 C--N 1.357 1.746 0 C-N-CA 128.582 2.991 . . . . 0.0 108.511 177.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.9 m 73.15 -62.87 0.46 Allowed 'General case' 0 C--N 1.364 1.2 0 C-N-CA 127.736 2.414 . . . . 0.0 117.215 172.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.0 m -159.41 155.17 26.17 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 125.279 1.432 . . . . 0.0 107.702 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.73 -34.24 38.19 Favored 'General case' 0 C--N 1.366 1.311 1 C-N-CA 132.406 4.282 . . . . 0.0 116.017 177.21 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.57 -35.15 77.0 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 130.08 3.352 . . . . 0.0 113.918 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -60.93 -33.11 72.65 Favored 'General case' 0 C--N 1.372 1.557 0 C-N-CA 127.853 2.461 . . . . 0.0 114.386 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.68 -39.42 80.59 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 130.532 3.533 . . . . 0.0 113.824 174.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -40.2 63.49 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 127.77 2.428 . . . . 0.0 110.186 174.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -62.56 -42.17 99.37 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 127.008 2.123 . . . . 0.0 112.933 171.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.283 14.8 pt -67.17 -44.89 87.54 Favored 'Isoleucine or valine' 0 C--N 1.373 1.619 0 CA-C-N 121.033 1.742 . . . . 0.0 112.773 172.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.4 t -67.65 -44.09 78.74 Favored 'General case' 0 C--N 1.367 1.342 0 CA-C-N 120.965 1.711 . . . . 0.0 114.74 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.2 t -67.24 -34.74 78.1 Favored 'General case' 0 C--N 1.371 1.533 0 C-N-CA 127.391 2.276 . . . . 0.0 113.51 174.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -75.42 -29.78 59.84 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 125.929 1.692 . . . . 0.0 111.662 173.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.1 t -66.76 -49.56 73.4 Favored 'Isoleucine or valine' 0 C--N 1.383 2.048 0 C-N-CA 127.789 2.435 . . . . 0.0 111.169 171.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.36 3.4 pp -65.01 -37.11 86.58 Favored 'General case' 0 C--N 1.378 1.825 0 O-C-N 119.722 -1.861 . . . . 0.0 114.333 175.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.45 -45.3 94.86 Favored 'General case' 0 C--N 1.376 1.73 0 C-N-CA 126.352 1.861 . . . . 0.0 112.282 170.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.55 -54.01 50.59 Favored 'General case' 0 C--N 1.375 1.686 0 C-N-CA 126.553 1.941 . . . . 0.0 113.466 170.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 27.5 mt -48.77 -31.91 7.74 Favored 'General case' 0 C--N 1.381 1.955 0 C-N-CA 128.463 2.705 . . . . 0.0 116.407 176.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.537 0.3 OUTLIER -110.53 9.52 23.17 Favored 'General case' 0 C--N 1.374 1.635 0 N-CA-C 116.766 2.136 . . . . 0.0 116.766 162.784 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -44.58 35.9 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 117.814 -3.054 . . . . 0.0 108.517 175.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.67 142.31 24.68 Favored Pre-proline 0 C--N 1.358 0.956 0 N-CA-C 102.17 -3.27 . . . . 0.0 102.17 173.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -79.65 155.67 24.24 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 124.267 3.312 . . . . 0.0 111.275 -175.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.8 mt -90.37 107.34 19.09 Favored 'General case' 0 C--N 1.366 1.313 0 CA-C-O 123.792 1.758 . . . . 0.0 108.705 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.1 ttt -144.55 135.06 24.59 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 112.716 -2.038 . . . . 0.0 109.893 -168.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -133.53 108.66 8.75 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 175.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 74.01 18.29 3.26 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 129.832 3.253 . . . . 0.0 114.2 176.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.48 5.16 57.01 Favored Glycine 0 C--N 1.354 1.544 0 C-N-CA 125.733 1.635 . . . . 0.0 112.322 -174.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -101.1 125.05 47.69 Favored 'General case' 0 C--N 1.36 1.059 0 CA-C-N 118.725 1.262 . . . . 0.0 110.617 -177.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.7 p -93.45 133.5 36.66 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 127.944 2.498 . . . . 0.0 114.734 -176.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.422 ' CD1' HD23 ' A' ' 10' ' ' LEU 0.287 0.0 OUTLIER -133.76 152.72 51.95 Favored 'General case' 0 C--N 1.363 1.156 0 O-C-N 121.061 -1.025 . . . . 0.0 108.563 179.568 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.8 t -106.46 117.1 51.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.026 0 C-N-CA 127.206 2.202 . . . . 0.0 111.62 -169.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.35 138.17 33.64 Favored 'General case' 0 C--N 1.366 1.315 0 N-CA-C 118.582 2.808 . . . . 0.0 118.582 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -120.39 145.78 46.84 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 126.451 1.9 . . . . 0.0 107.906 170.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -157.08 -79.76 0.07 Allowed 'General case' 0 C--N 1.364 1.196 0 O-C-N 120.207 -1.558 . . . . 0.0 111.605 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . 0.306 54.7 mt 79.3 53.74 0.02 OUTLIER 'General case' 0 C--N 1.356 0.866 0 C-N-CA 127.884 2.473 . . . . 0.0 114.564 -178.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 m -111.28 107.42 22.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 C-N-CA 127.279 2.232 . . . . 0.0 106.868 175.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -112.11 -142.62 0.39 Allowed 'General case' 0 C--N 1.357 0.919 0 C-N-CA 125.605 1.562 . . . . 0.0 109.348 -175.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -88.49 51.63 2.23 Favored 'General case' 0 C--N 1.362 1.114 0 O-C-N 120.206 -1.559 . . . . 0.0 113.127 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -87.37 51.49 2.25 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 126.499 1.92 . . . . 0.0 111.328 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.8 m -112.61 139.27 38.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 C-N-CA 129.535 3.134 . . . . 0.0 109.305 -176.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 37.1 mt -106.49 142.18 19.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 C-N-CA 125.533 1.533 . . . . 0.0 109.475 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.7 m -75.83 125.26 28.74 Favored 'General case' 0 C--N 1.365 1.266 0 C-N-CA 128.852 2.861 . . . . 0.0 113.647 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -116.25 142.09 47.29 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.8 p -68.67 -21.39 64.44 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 128.067 2.547 . . . . 0.0 115.695 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -90.4 -19.24 24.18 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 126.711 2.004 . . . . 0.0 113.029 176.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 78.58 40.43 18.58 Favored Glycine 0 C--N 1.367 2.259 0 C-N-CA 125.458 1.504 . . . . 0.0 114.078 -175.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 13.3 p -89.42 149.31 4.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 C-N-CA 127.582 2.353 . . . . 0.0 110.199 -178.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 6.3 p -81.74 141.87 33.16 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 125.079 2.371 . . . . 0.0 116.735 -175.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -101.78 114.56 28.74 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 172.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.06 148.74 23.21 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 127.175 2.19 . . . . 0.0 107.034 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.4 158.09 22.59 Favored Glycine 0 CA--C 1.488 -1.653 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.89 115.8 50.61 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 1 N-CA-C 99.201 -4.37 . . . . 0.0 99.201 172.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 49.6 mt -117.56 117.2 54.31 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 C-N-CA 125.06 1.344 . . . . 0.0 108.314 -171.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -92.42 131.77 37.31 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-O 122.784 1.278 . . . . 0.0 109.12 172.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.42 126.74 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 171.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -119.88 128.05 53.29 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 103.919 -2.622 . . . . 0.0 103.919 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -128.19 141.36 51.49 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 102.227 -3.249 . . . . 0.0 102.227 -173.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 86.5 m -132.51 144.75 50.65 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 105.944 -1.873 . . . . 0.0 105.944 -170.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.69 111.41 21.91 Favored 'Isoleucine or valine' 0 C--N 1.362 1.129 0 O-C-N 120.195 -1.566 . . . . 0.0 111.26 178.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -159.8 165.9 31.45 Favored 'General case' 0 CA--C 1.504 -0.826 1 N-CA-C 99.551 -4.24 . . . . 0.0 99.551 173.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 76.19 -54.69 0.6 Allowed 'General case' 0 C--N 1.354 0.768 0 C-N-CA 127.398 2.279 . . . . 0.0 113.125 -177.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . 0.314 36.5 m-80 89.6 -43.38 0.02 OUTLIER 'General case' 0 C--N 1.361 1.104 0 C-N-CA 130.703 3.601 . . . . 0.0 115.023 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 23.0 p -92.14 90.45 7.35 Favored 'General case' 0 C--N 1.359 1.001 0 O-C-N 119.802 -1.811 . . . . 0.0 114.123 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.358 1.789 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 175.646 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 . . . . . 0 N--CA 1.439 -1.015 0 CA-C-O 122.322 1.058 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 111.42 -67.89 0.23 Allowed Glycine 0 C--N 1.355 1.602 0 C-N-CA 126.479 1.99 . . . . 0.0 112.798 174.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 98.3 mt -124.38 38.51 4.18 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 124.709 1.204 . . . . 0.0 110.37 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -131.04 21.09 4.9 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 125.141 1.376 . . . . 0.0 109.357 176.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 t -179.4 177.46 0.75 Allowed 'General case' 0 C--N 1.358 0.964 0 C-N-CA 128.658 2.783 . . . . 0.0 104.009 177.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 21.9 t-105 -164.14 94.15 0.72 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 178.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -63.65 -20.99 66.14 Favored 'General case' 0 C--N 1.37 1.498 0 C-N-CA 126.939 2.096 . . . . 0.0 115.297 -177.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.68 -24.38 61.01 Favored 'General case' 0 C--N 1.364 1.216 0 C-N-CA 131.452 3.901 . . . . 0.0 111.312 174.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.32 -33.44 75.98 Favored 'General case' 0 C--N 1.381 1.951 0 C-N-CA 126.102 1.761 . . . . 0.0 113.52 175.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 71.2 m -62.3 -48.37 80.15 Favored 'General case' 0 C--N 1.374 1.659 0 C-N-CA 124.311 1.044 . . . . 0.0 113.698 175.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.637 45.6 ttp180 -73.86 -37.29 64.83 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 119.237 -2.164 . . . . 0.0 116.554 169.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.35 -23.43 5.9 Favored 'General case' 0 CA--C 1.573 1.846 0 O-C-N 117.324 -3.36 . . . . 0.0 115.025 168.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -29.29 68.26 Favored 'General case' 0 C--N 1.375 1.675 0 C-N-CA 128.295 2.638 . . . . 0.0 115.816 163.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.0 -41.32 74.52 Favored 'General case' 0 C--N 1.382 1.984 0 C-N-CA 128.948 2.899 . . . . 0.0 108.232 172.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -67.32 -30.22 70.0 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 115.07 -0.968 . . . . 0.0 113.135 168.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.44 -40.89 85.45 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 120.306 -1.496 . . . . 0.0 112.324 167.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -69.14 -36.97 78.02 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 123.951 1.834 . . . . 0.0 111.937 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -31.38 51.13 Favored 'Isoleucine or valine' 0 C--N 1.372 1.556 0 C-N-CA 125.224 1.41 . . . . 0.0 112.017 170.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -70.86 -29.8 66.03 Favored 'General case' 0 C--N 1.372 1.562 0 C-N-CA 124.955 1.302 . . . . 0.0 113.394 172.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -68.82 -40.46 79.47 Favored 'General case' 0 C--N 1.368 1.413 0 C-N-CA 125.962 1.705 . . . . 0.0 110.857 171.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mp -59.03 -42.25 89.75 Favored 'General case' 0 C--N 1.377 1.792 0 N-CA-C 114.96 1.466 . . . . 0.0 114.96 169.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.254 8.3 pt-20 -79.33 -16.57 56.11 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 171.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.4 m -83.37 -21.98 32.92 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 125.048 1.339 . . . . 0.0 112.867 175.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -84.58 102.86 13.21 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 124.861 1.265 . . . . 0.0 113.052 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.364 16.2 pt20 -44.52 -47.74 26.61 Favored Pre-proline 0 C--N 1.365 1.244 0 N-CA-C 120.862 3.653 . . . . 0.0 120.862 -179.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -66.42 -20.2 54.75 Favored 'Trans proline' 0 C--N 1.364 1.387 0 CA-C-N 127.55 3.732 . . . . 0.0 115.238 168.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.28 -34.56 68.28 Favored 'General case' 0 C--N 1.375 1.678 0 CA-C-N 121.346 1.885 . . . . 0.0 112.156 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 76.7 mmm -63.08 -28.54 70.15 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 129.704 3.202 . . . . 0.0 116.841 175.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -94.69 -21.64 18.65 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 125.236 1.415 . . . . 0.0 112.197 176.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.7 mmt -86.67 -41.37 14.26 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.14 1.776 . . . . 0.0 112.929 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.0 m -126.59 146.05 33.1 Favored 'Isoleucine or valine' 0 C--N 1.364 1.218 0 N-CA-C 103.8 -2.667 . . . . 0.0 103.8 172.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -100.95 -39.29 7.83 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 129.442 3.097 . . . . 0.0 112.191 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.377 16.9 mt-30 -95.96 41.92 1.1 Allowed 'General case' 0 N--CA 1.428 -1.528 1 C-N-CA 140.973 7.709 . . . . 0.0 112.25 -164.078 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.3 t -86.43 106.97 16.2 Favored 'Isoleucine or valine' 0 C--N 1.38 1.895 0 N-CA-C 104.635 -2.357 . . . . 0.0 104.635 176.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 t -146.02 170.07 17.39 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 113.45 -1.705 . . . . 0.0 113.354 -170.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.06 23.0 3.28 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 126.913 2.085 . . . . 0.0 109.382 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 82.2 p -122.98 -164.96 0.06 OUTLIER Pre-proline 0 C--N 1.351 0.655 0 C-N-CA 126.783 2.033 . . . . 0.0 109.611 -171.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -62.77 141.26 84.41 Favored 'Trans proline' 0 C--N 1.371 1.737 0 C-N-CA 123.817 3.011 . . . . 0.0 110.347 160.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 148.16 -5.09 0.88 Allowed Glycine 0 C--N 1.348 1.196 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.793 -165.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.251 0.0 OUTLIER -78.21 -18.27 55.65 Favored 'General case' 0 C--N 1.365 1.25 0 N-CA-C 117.643 2.46 . . . . 0.0 117.643 -175.094 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -106.16 16.34 25.06 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 128.338 2.655 . . . . 0.0 114.628 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.15 179.85 1.2 Allowed Pre-proline 0 C--N 1.355 0.829 0 C-N-CA 127.297 2.239 . . . . 0.0 112.906 -172.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -64.93 131.76 30.01 Favored 'Trans proline' 0 C--N 1.367 1.546 0 C-N-CA 124.6 3.534 . . . . 0.0 115.933 -177.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -78.55 146.47 69.69 Favored Pre-proline 0 C--N 1.354 0.781 1 C-N-CA 132.627 4.371 . . . . 0.0 114.301 -174.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -85.98 148.28 42.13 Favored 'Cis proline' 0 C--N 1.364 1.392 0 CA-C-N 124.827 2.76 . . . . 0.0 114.53 1.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -173.37 169.42 4.44 Favored 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 114.498 1.295 . . . . 0.0 114.498 -175.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 p -138.52 137.48 43.41 Favored 'Isoleucine or valine' 0 C--N 1.406 3.058 0 N-CA-C 116.409 2.004 . . . . 0.0 116.409 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . 0.314 8.4 m -117.77 156.11 19.43 Favored 'Isoleucine or valine' 0 C--N 1.38 1.892 0 O-C-N 120.339 -1.476 . . . . 0.0 111.387 170.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.1 mm -81.69 139.65 17.65 Favored 'Isoleucine or valine' 0 C--N 1.369 1.436 0 C-N-CA 125.169 1.388 . . . . 0.0 110.471 169.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -159.37 -164.14 14.24 Favored Glycine 0 C--N 1.35 1.359 0 N-CA-C 106.067 -2.813 . . . . 0.0 106.067 174.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -146.49 147.66 31.41 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 105.771 -1.936 . . . . 0.0 105.771 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -80.06 135.18 36.29 Favored 'General case' 0 C--N 1.364 1.221 0 CA-C-N 120.76 1.618 . . . . 0.0 114.884 -176.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . 0.308 2.1 t 72.61 -42.6 0.54 Allowed 'General case' 0 C--N 1.363 1.175 0 N-CA-C 118.588 2.81 . . . . 0.0 118.588 176.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.6 p -162.09 -104.52 0.02 OUTLIER 'General case' 0 C--N 1.356 0.873 0 C-N-CA 124.143 0.977 . . . . 0.0 110.259 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.7 m 156.3 123.33 0.0 OUTLIER Pre-proline 0 C--N 1.354 0.775 0 C-N-CA 131.328 3.851 . . . . 0.0 104.066 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -76.13 135.86 17.53 Favored 'Trans proline' 0 C--N 1.361 1.22 0 C-N-CA 124.425 3.417 . . . . 0.0 113.445 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -136.25 130.52 33.18 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.192 1.397 . . . . 0.0 108.286 177.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . 0.256 2.6 tm-20 75.08 89.24 0.09 Allowed 'General case' 0 C--N 1.364 1.238 0 C-N-CA 128.12 2.568 . . . . 0.0 116.105 175.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.2 m -160.74 111.89 1.84 Allowed 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 103.417 -2.809 . . . . 0.0 103.417 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 79.4 tttt 76.9 141.33 0.07 Allowed 'General case' 0 C--N 1.362 1.114 0 C-N-CA 127.991 2.516 . . . . 0.0 114.835 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.6 p -84.72 73.54 10.58 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 118.95 -2.344 . . . . 0.0 111.94 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.7 m -165.1 -64.75 0.03 OUTLIER 'General case' 0 C--N 1.352 0.676 0 C-N-CA 123.512 0.725 . . . . 0.0 109.362 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 75.15 -177.93 0.16 Allowed 'General case' 0 C--N 1.365 1.278 0 C-N-CA 128.055 2.542 . . . . 0.0 116.166 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.48 -40.96 2.45 Favored Glycine 0 C--N 1.368 2.32 0 C-N-CA 127.454 2.454 . . . . 0.0 115.903 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -33.01 -43.52 0.1 Allowed 'General case' 0 C--N 1.367 1.364 1 C-N-CA 134.453 5.101 . . . . 0.0 120.164 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.36 0.6 OUTLIER -136.13 150.6 49.15 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-O 123.589 1.661 . . . . 0.0 110.177 172.136 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.456 HD12 ' CE2' ' A' ' 102' ' ' PHE . 5.2 mt -118.29 132.79 67.12 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 C-N-CA 129.411 3.084 . . . . 0.0 107.103 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.1 p -116.45 118.45 32.71 Favored 'General case' 0 C--N 1.366 1.289 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 171.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.96 139.53 27.61 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-N 119.815 1.189 . . . . 0.0 113.374 -175.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.0 163.18 25.92 Favored 'General case' 0 C--N 1.363 1.163 0 CA-C-O 124.638 2.161 . . . . 0.0 110.35 174.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -131.8 136.57 47.63 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 101.21 -3.626 . . . . 0.0 101.21 168.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -113.24 119.19 36.88 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 -178.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -117.44 131.32 70.51 Favored 'Isoleucine or valine' 0 C--N 1.364 1.214 0 N-CA-C 107.672 -1.232 . . . . 0.0 107.672 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -130.56 123.66 30.05 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.06 -1.056 . . . . 0.0 108.555 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.96 118.8 5.71 Favored Glycine 0 C--N 1.363 2.047 0 C-N-CA 124.439 1.019 . . . . 0.0 111.262 174.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.29 25.95 26.25 Favored Glycine 0 C--N 1.361 1.934 0 C-N-CA 128.019 2.723 . . . . 0.0 114.719 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.7 p -103.79 -81.26 0.52 Allowed 'General case' 0 C--N 1.345 0.39 0 C-N-CA 127.812 2.445 . . . . 0.0 110.027 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -157.13 161.09 39.38 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 106.78 -1.563 . . . . 0.0 106.78 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 -51.64 -35.89 43.9 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 130.266 3.427 . . . . 0.0 117.792 -175.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.48 -36.06 78.42 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 126.113 1.765 . . . . 0.0 113.853 176.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -67.61 -33.15 74.42 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 126.854 2.062 . . . . 0.0 114.452 177.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.47 -35.09 78.5 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.946 2.098 . . . . 0.0 114.87 173.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -70.52 -38.97 74.34 Favored 'General case' 0 C--N 1.377 1.804 0 C-N-CA 128.475 2.71 . . . . 0.0 109.965 173.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.15 -51.38 61.5 Favored 'General case' 0 C--N 1.372 1.58 0 C-N-CA 126.628 1.971 . . . . 0.0 111.683 172.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.422 9.1 pt -63.47 -37.64 80.11 Favored 'Isoleucine or valine' 0 C--N 1.379 1.849 0 CA-C-N 121.759 2.072 . . . . 0.0 114.76 173.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.7 m -64.02 -46.68 83.38 Favored 'General case' 0 C--N 1.372 1.574 0 C-N-CA 127.475 2.31 . . . . 0.0 113.276 173.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.6 t -75.43 -27.85 59.12 Favored 'General case' 0 C--N 1.371 1.507 0 O-C-N 119.651 -1.906 . . . . 0.0 113.285 175.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.32 -42.0 99.02 Favored 'General case' 0 C--N 1.377 1.797 0 C-N-CA 128.571 2.748 . . . . 0.0 109.177 172.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.49 -50.52 80.0 Favored 'Isoleucine or valine' 0 C--N 1.373 1.621 0 C-N-CA 127.361 2.264 . . . . 0.0 112.711 169.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.41 HD22 HE22 ' A' ' 111' ' ' GLN . 9.0 mp -60.89 -46.79 89.22 Favored 'General case' 0 N--CA 1.501 2.1 0 CA-C-N 123.089 2.677 . . . . 0.0 115.092 175.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -62.03 -34.56 76.46 Favored 'General case' 0 C--N 1.37 1.487 0 CA-C-O 117.023 -1.465 . . . . 0.0 113.033 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.33 67.64 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 126.51 1.924 . . . . 0.0 114.349 171.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.4 -47.54 56.42 Favored 'General case' 0 C--N 1.384 2.08 0 C-N-CA 129.386 3.074 . . . . 0.0 113.691 178.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.529 0.2 OUTLIER -104.2 10.48 35.72 Favored 'General case' 0 C--N 1.37 1.467 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 172.055 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -48.68 20.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 119.251 -2.155 . . . . 0.0 108.834 175.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER -126.07 137.49 30.26 Favored Pre-proline 0 C--N 1.353 0.722 0 N-CA-C 102.16 -3.274 . . . . 0.0 102.16 171.687 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.65 159.49 21.95 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 124.496 3.464 . . . . 0.0 112.732 -170.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.0 107.64 20.12 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-O 123.733 1.73 . . . . 0.0 109.659 178.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 34.9 ttp -143.56 131.06 21.08 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 -176.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -129.62 123.04 30.29 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 176.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 81.06 7.83 1.18 Allowed 'General case' 0 C--N 1.367 1.332 0 C-N-CA 130.916 3.686 . . . . 0.0 113.818 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 90.68 12.96 60.18 Favored Glycine 0 C--N 1.357 1.728 0 C-N-CA 125.474 1.511 . . . . 0.0 110.861 -170.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -109.36 125.04 51.94 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 124.118 0.967 . . . . 0.0 111.099 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.3 t -109.84 156.34 20.5 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 126.222 1.809 . . . . 0.0 108.523 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.456 ' CE2' HD12 ' A' ' 64' ' ' ILE . 8.4 m-85 -121.16 159.1 26.54 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 102.116 -3.29 . . . . 0.0 102.116 -176.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.3 t -105.56 121.85 58.25 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.565 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.15 137.77 33.93 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 125.45 1.5 . . . . 0.0 114.155 -173.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -117.69 126.89 53.31 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 128.398 2.679 . . . . 0.0 106.215 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -126.66 143.52 51.2 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 120.648 -1.282 . . . . 0.0 110.057 -176.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 43.8 mt -90.55 -34.78 15.39 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 126.255 1.822 . . . . 0.0 110.813 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . 0.299 48.4 t 70.42 -59.54 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.398 0 C-N-CA 127.861 2.464 . . . . 0.0 116.172 174.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.4 tp -83.38 58.35 4.47 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 127.943 2.497 . . . . 0.0 113.821 -177.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -174.55 71.18 0.03 OUTLIER 'General case' 0 C--N 1.355 0.817 0 C-N-CA 126.082 1.753 . . . . 0.0 108.206 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.41 HE22 HD22 ' A' ' 87' ' ' LEU . 59.1 mt-30 -148.83 -60.06 0.23 Allowed 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 32.9 m -93.4 120.56 43.01 Favored 'Isoleucine or valine' 0 C--N 1.359 1.014 0 C-N-CA 126.379 1.872 . . . . 0.0 113.575 -174.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 32.2 mt -121.36 151.4 24.59 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 126.494 1.918 . . . . 0.0 106.438 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 25.5 m -89.87 129.72 36.2 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 127.862 2.465 . . . . 0.0 110.138 178.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -89.52 120.03 30.47 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 124.04 0.936 . . . . 0.0 110.382 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.3 t -70.97 -20.55 62.42 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 126.631 1.972 . . . . 0.0 115.206 -176.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -90.34 -11.67 39.97 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.682 1.593 . . . . 0.0 113.906 -179.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.35 -3.88 86.36 Favored Glycine 0 C--N 1.368 2.339 0 O-C-N 120.837 -1.164 . . . . 0.0 114.618 -176.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 60.8 t -80.66 149.88 4.94 Favored 'Isoleucine or valine' 0 C--N 1.358 0.945 1 C-N-CA 132.527 4.331 . . . . 0.0 109.602 179.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.8 t -48.88 152.05 1.11 Allowed 'General case' 0 C--N 1.365 1.269 0 C-N-CA 130.054 3.342 . . . . 0.0 118.478 -178.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -93.73 141.14 28.83 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.338 1.855 . . . . 0.0 115.322 -175.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -109.66 131.5 55.0 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 103.442 -2.799 . . . . 0.0 103.442 173.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -125.71 143.38 14.42 Favored Glycine 0 C--N 1.365 2.184 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 -171.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 17.4 tt -123.27 119.06 56.52 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.2 mp -109.9 113.62 44.72 Favored 'Isoleucine or valine' 0 C--N 1.359 0.988 0 N-CA-C 106.233 -1.765 . . . . 0.0 106.233 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -114.27 131.21 56.58 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 125.04 1.336 . . . . 0.0 108.288 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 15.3 t -123.55 143.89 35.12 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 174.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -119.27 139.0 52.63 Favored 'General case' 0 C--N 1.36 1.058 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 173.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.33 137.32 38.79 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 -174.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 28.4 m -124.49 140.53 52.86 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 124.606 1.162 . . . . 0.0 112.15 -177.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.2 pt -109.08 119.5 58.72 Favored 'Isoleucine or valine' 0 C--N 1.367 1.331 0 O-C-N 120.599 -1.313 . . . . 0.0 109.039 172.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -93.9 -4.47 49.85 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 125.379 1.472 . . . . 0.0 111.552 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -139.06 132.01 29.41 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 127.08 2.152 . . . . 0.0 105.294 178.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -127.4 -77.01 0.57 Allowed 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.99 1.716 . . . . 0.0 107.839 -179.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 18.6 m -107.83 90.32 3.26 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.867 -1.146 . . . . 0.0 108.77 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 1.739 0 C-N-CA 125.719 1.628 . . . . 0.0 110.642 -178.788 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.441 -0.897 0 CA-C-O 122.855 1.312 . . . . 0.0 107.778 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -74.52 58.15 2.48 Favored Glycine 0 C--N 1.363 2.035 0 C-N-CA 129.36 3.362 . . . . 0.0 114.392 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 83.1 mt -103.96 158.4 16.44 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 127.582 2.353 . . . . 0.0 109.475 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -86.75 106.02 17.38 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 172.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.8 p -77.05 -12.02 59.88 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 126.39 1.876 . . . . 0.0 115.524 -173.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.5 p90 -109.36 114.08 27.45 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 122.796 1.284 . . . . 0.0 108.471 175.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -71.96 -13.13 61.54 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 128.092 2.557 . . . . 0.0 113.046 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.4 tp -68.8 -24.09 64.36 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 130.866 3.666 . . . . 0.0 111.279 171.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.95 -37.89 83.94 Favored 'General case' 0 C--N 1.378 1.844 0 C-N-CA 127.233 2.213 . . . . 0.0 113.375 175.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.9 p -58.66 -47.78 83.32 Favored 'General case' 0 C--N 1.366 1.306 0 C-N-CA 126.533 1.933 . . . . 0.0 114.105 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.428 16.1 ptm180 -72.85 -36.51 67.46 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 128.858 2.863 . . . . 0.0 115.124 169.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.14 -23.6 5.71 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 126.461 1.904 . . . . 0.0 113.919 169.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.412 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -61.61 -32.87 73.02 Favored 'General case' 0 C--N 1.37 1.495 0 N-CA-C 115.96 1.837 . . . . 0.0 115.96 164.198 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.263 5.2 tp60 -70.61 -37.76 73.89 Favored 'General case' 0 C--N 1.372 1.548 0 C-N-CA 126.926 2.09 . . . . 0.0 109.818 173.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.03 -32.6 74.16 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 167.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.53 -34.15 67.37 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 119.676 -1.89 . . . . 0.0 113.129 170.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.4 m -70.91 -37.23 72.94 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.935 2.494 . . . . 0.0 110.795 172.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.12 -31.41 44.55 Favored 'Isoleucine or valine' 0 C--N 1.364 1.229 0 O-C-N 119.45 -2.031 . . . . 0.0 111.935 171.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -70.56 -29.55 66.03 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 124.722 1.209 . . . . 0.0 112.539 169.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -62.01 -45.43 93.64 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 126.925 2.09 . . . . 0.0 111.073 166.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.52 -34.48 74.17 Favored 'General case' 0 C--N 1.364 1.239 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 171.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -77.33 -22.86 51.2 Favored 'General case' 0 C--N 1.367 1.341 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 169.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.3 m -82.0 -31.59 31.0 Favored 'General case' 0 C--N 1.37 1.475 0 C-N-CA 125.559 1.544 . . . . 0.0 112.612 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -72.38 96.12 1.84 Allowed 'General case' 0 C--N 1.358 0.96 0 C-N-CA 126.732 2.013 . . . . 0.0 113.43 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.309 5.8 pt20 -40.44 -46.85 6.12 Favored Pre-proline 0 C--N 1.366 1.296 0 N-CA-C 120.204 3.409 . . . . 0.0 120.204 -177.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -66.32 -28.21 47.25 Favored 'Trans proline' 0 C--N 1.361 1.228 0 CA-C-N 127.715 3.791 . . . . 0.0 116.271 168.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.608 0.4 OUTLIER -82.51 -20.79 36.02 Favored 'General case' 0 C--N 1.387 2.199 0 CA-C-N 123.656 2.935 . . . . 0.0 114.133 -173.271 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 50.6 mmm -63.87 -27.95 69.51 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 129.817 3.247 . . . . 0.0 113.821 170.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -83.92 -28.18 28.06 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 127.171 2.188 . . . . 0.0 112.211 174.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 18.5 mmt -87.49 -46.29 9.73 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 126.462 1.905 . . . . 0.0 112.68 178.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.4 m -122.69 140.91 45.04 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 N-CA-C 100.724 -3.806 . . . . 0.0 100.724 169.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -104.32 -24.64 13.07 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 125.862 2.744 . . . . 0.0 112.201 175.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.257 2.0 mm100 -97.51 38.17 1.3 Allowed 'General case' 0 N--CA 1.43 -1.438 1 C-N-CA 136.95 6.1 . . . . 0.0 112.475 -169.496 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.5 p -87.38 107.73 17.47 Favored 'Isoleucine or valine' 0 C--N 1.357 0.916 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.2 t -132.86 156.19 47.63 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 123.304 1.526 . . . . 0.0 112.193 -168.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -98.34 -22.47 16.08 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.889 2.075 . . . . 0.0 113.518 -176.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.283 14.4 m -156.66 -73.05 0.02 OUTLIER Pre-proline 0 CA--C 1.509 -0.623 0 CA-C-O 115.028 -2.415 . . . . 0.0 108.274 178.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -72.48 138.23 29.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 124.264 3.309 . . . . 0.0 114.215 -177.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 118.58 10.02 8.86 Favored Glycine 0 C--N 1.359 1.829 0 O-C-N 121.216 -0.928 . . . . 0.0 111.772 171.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -17.95 61.88 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 126.644 1.978 . . . . 0.0 115.843 -174.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -100.96 15.58 28.16 Favored 'General case' 0 C--N 1.364 1.199 0 C-N-CA 128.505 2.722 . . . . 0.0 112.253 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -88.12 154.52 52.12 Favored Pre-proline 0 C--N 1.367 1.341 0 C-N-CA 125.66 1.584 . . . . 0.0 110.095 176.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.96 148.8 25.27 Favored 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 123.875 3.05 . . . . 0.0 116.055 -169.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -61.62 135.11 94.01 Favored Pre-proline 0 C--N 1.365 1.24 1 C-N-CA 131.944 4.098 . . . . 0.0 116.107 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -80.44 148.63 77.36 Favored 'Cis proline' 0 C--N 1.355 0.898 0 CA-C-N 123.945 2.445 . . . . 0.0 115.288 5.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -172.63 168.65 5.2 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 124.427 1.091 . . . . 0.0 112.915 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.5 t -128.66 138.17 55.33 Favored 'Isoleucine or valine' 0 C--N 1.391 2.401 0 CA-C-O 122.391 1.091 . . . . 0.0 111.85 177.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.3 m -126.08 152.19 33.11 Favored 'Isoleucine or valine' 0 C--N 1.36 1.064 0 O-C-N 121.083 -1.011 . . . . 0.0 108.959 174.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 37.4 mm -88.98 139.1 17.92 Favored 'Isoleucine or valine' 0 C--N 1.371 1.539 0 C-N-CA 125.342 1.457 . . . . 0.0 107.853 167.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.81 -154.17 6.5 Favored Glycine 0 C--N 1.35 1.349 0 N-CA-C 106.743 -2.543 . . . . 0.0 106.743 174.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -146.57 145.19 30.02 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 175.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -121.17 125.05 46.21 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 124.938 1.295 . . . . 0.0 108.009 -177.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.6 m 68.03 47.21 1.09 Allowed 'General case' 0 C--N 1.362 1.137 0 C-N-CA 127.254 2.221 . . . . 0.0 116.617 175.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.8 p -82.52 60.96 5.42 Favored 'General case' 0 C--N 1.358 0.96 0 O-C-N 119.093 -2.255 . . . . 0.0 112.109 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.281 23.2 m -177.63 -75.68 0.0 OUTLIER Pre-proline 0 C--N 1.349 0.557 0 C-N-CA 129.19 2.996 . . . . 0.0 106.244 179.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -79.87 115.25 3.28 Favored 'Trans proline' 0 C--N 1.367 1.541 0 CA-C-N 126.725 3.437 . . . . 0.0 111.727 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.63 139.79 52.91 Favored 'General case' 0 C--N 1.357 0.917 0 O-C-N 121.135 -0.978 . . . . 0.0 112.539 -176.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.86 2.06 32.1 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 127.951 2.501 . . . . 0.0 114.8 179.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.8 t -149.36 129.67 13.76 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 104.007 -2.59 . . . . 0.0 104.007 176.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -96.73 68.76 2.44 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 120.529 -1.357 . . . . 0.0 110.587 -177.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.66 65.6 2.47 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 126.92 2.088 . . . . 0.0 115.862 -175.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.4 m -107.16 67.69 0.7 Allowed 'General case' 0 C--N 1.36 1.029 0 C-N-CA 125.647 1.579 . . . . 0.0 111.441 177.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -146.99 112.99 5.79 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 126.5 1.92 . . . . 0.0 106.408 177.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.88 -85.73 1.44 Allowed Glycine 0 C--N 1.357 1.713 0 C-N-CA 126.133 1.825 . . . . 0.0 116.76 173.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 170.92 118.67 0.01 OUTLIER 'General case' 0 C--N 1.353 0.722 0 C-N-CA 128.106 2.562 . . . . 0.0 107.166 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -117.89 165.96 13.06 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -108.45 127.68 64.64 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 103.699 -2.704 . . . . 0.0 103.699 178.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.8 p -127.39 117.17 21.66 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 177.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . 0.313 1.2 ttt -155.11 162.26 41.05 Favored 'General case' 0 C--N 1.372 1.578 0 CA-C-N 120.682 1.583 . . . . 0.0 114.796 -177.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -131.13 151.88 50.99 Favored 'General case' 0 C--N 1.367 1.33 0 CA-C-O 122.555 1.169 . . . . 0.0 112.927 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.296 0.0 OUTLIER -124.34 130.93 53.38 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 128.03 2.532 . . . . 0.0 104.995 167.757 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -112.5 119.12 37.12 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 102.82 -3.029 . . . . 0.0 102.82 -174.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.79 117.33 50.77 Favored 'Isoleucine or valine' 0 C--N 1.364 1.232 0 N-CA-C 103.695 -2.706 . . . . 0.0 103.695 -170.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.49 131.99 45.41 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 115.796 -2.362 . . . . 0.0 107.554 -176.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.32 145.17 16.15 Favored Glycine 0 C--N 1.36 1.909 0 O-C-N 121.28 -0.887 . . . . 0.0 112.836 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -123.72 -178.73 15.52 Favored Glycine 0 C--N 1.349 1.259 0 N-CA-C 106.085 -2.806 . . . . 0.0 106.085 175.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.264 6.2 m 74.17 -61.37 0.5 Allowed 'General case' 0 C--N 1.356 0.851 0 C-N-CA 127.697 2.399 . . . . 0.0 114.591 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.6 p -131.67 157.2 44.36 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 125.032 1.333 . . . . 0.0 108.201 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.49 ' H ' ' HD2' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -66.59 -35.27 79.79 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 128.784 2.834 . . . . 0.0 114.153 175.181 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.83 -35.55 74.87 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 129.96 3.304 . . . . 0.0 113.867 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -62.35 -36.12 81.24 Favored 'General case' 0 C--N 1.366 1.288 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.37 75.67 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 127.862 2.465 . . . . 0.0 114.399 175.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -76.95 -40.86 45.49 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 128.344 2.658 . . . . 0.0 111.26 174.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -64.28 -48.79 74.36 Favored 'General case' 0 C--N 1.376 1.726 0 C-N-CA 127.006 2.122 . . . . 0.0 110.361 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.343 4.2 pt -61.6 -37.92 79.04 Favored 'Isoleucine or valine' 0 C--N 1.373 1.622 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 172.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . 0.353 2.4 p -68.71 -49.66 57.1 Favored 'General case' 0 C--N 1.374 1.666 0 O-C-N 119.91 -1.744 . . . . 0.0 114.157 170.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.5 t -57.53 -41.7 81.44 Favored 'General case' 0 C--N 1.377 1.792 0 C-N-CA 128.264 2.626 . . . . 0.0 113.577 172.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -74.28 -31.58 62.58 Favored 'General case' 0 C--N 1.371 1.505 0 C-N-CA 125.799 1.64 . . . . 0.0 113.262 173.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.254 1.2 t -63.59 -47.07 93.06 Favored 'Isoleucine or valine' 0 C--N 1.383 2.051 0 CA-C-N 121.876 2.126 . . . . 0.0 111.599 172.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.69 -43.27 99.25 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 125.92 1.688 . . . . 0.0 112.866 176.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -61.33 -33.73 74.09 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 125.961 1.704 . . . . 0.0 113.416 170.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.17 -50.83 29.1 Favored 'General case' 0 C--N 1.377 1.766 0 C-N-CA 127.824 2.449 . . . . 0.0 112.192 171.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 67.6 mt -51.26 -26.44 7.25 Favored 'General case' 0 C--N 1.383 2.03 0 C-N-CA 128.522 2.729 . . . . 0.0 116.048 175.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 1.274 0.1 OUTLIER -111.45 12.91 21.47 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 120.361 3.467 . . . . 0.0 120.361 162.485 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -91.83 -50.58 5.65 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 120.732 -1.23 . . . . 0.0 109.807 175.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.45 139.31 20.2 Favored Pre-proline 0 C--N 1.366 1.322 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.55 149.57 21.32 Favored 'Trans proline' 0 C--N 1.363 1.334 0 C-N-CA 124.895 3.73 . . . . 0.0 111.16 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.4 mt -92.9 109.03 20.47 Favored 'General case' 0 C--N 1.363 1.176 0 CA-C-O 123.34 1.543 . . . . 0.0 114.931 -172.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 26.9 ttm -143.8 139.35 29.31 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 124.607 1.163 . . . . 0.0 110.269 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -123.4 107.64 11.84 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . 0.347 11.3 pt-20 55.93 16.64 2.2 Favored 'General case' 0 C--N 1.357 0.896 1 C-N-CA 134.431 5.092 . . . . 0.0 117.526 176.762 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 122.25 -10.25 9.37 Favored Glycine 0 C--N 1.348 1.242 0 C-N-CA 126.602 2.048 . . . . 0.0 110.476 -175.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -93.18 126.97 38.56 Favored 'General case' 0 C--N 1.364 1.225 0 CA-C-N 119.026 1.413 . . . . 0.0 110.378 -178.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.0 m -102.49 140.52 36.65 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 124.962 1.305 . . . . 0.0 112.183 -175.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -134.74 143.68 47.29 Favored 'General case' 0 C--N 1.363 1.164 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 179.649 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.1 t -107.39 129.04 61.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 C-N-CA 125.826 1.65 . . . . 0.0 107.757 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.21 138.61 32.24 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 127.541 2.336 . . . . 0.0 114.745 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -98.14 96.45 8.12 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 127.688 2.395 . . . . 0.0 110.968 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -86.61 161.86 18.28 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 125.533 1.533 . . . . 0.0 111.431 175.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.0 mt -118.5 27.81 8.71 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 125.458 1.503 . . . . 0.0 109.972 -179.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . 0.285 16.2 t 68.46 80.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.366 1.306 0 C-N-CA 129.932 3.293 . . . . 0.0 115.236 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . 0.323 62.6 mt 78.94 -138.38 0.02 OUTLIER 'General case' 0 C--N 1.366 1.303 0 C-N-CA 128.276 2.631 . . . . 0.0 115.842 177.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . 0.258 . . 126.51 86.95 0.0 OUTLIER 'General case' 0 C--N 1.374 1.66 0 C-N-CA 130.327 3.451 . . . . 0.0 113.89 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -108.01 146.91 31.84 Favored 'General case' 0 C--N 1.36 1.051 0 O-C-N 119.959 -1.713 . . . . 0.0 108.09 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 p -107.72 130.24 60.42 Favored 'Isoleucine or valine' 0 C--N 1.36 1.064 0 C-N-CA 125.19 1.396 . . . . 0.0 108.717 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 31.7 mt -108.09 139.76 29.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 C-N-CA 126.26 1.824 . . . . 0.0 107.596 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 9.3 m -71.52 142.6 50.11 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 130.032 3.333 . . . . 0.0 115.61 -176.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -86.0 155.42 20.87 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 127.213 2.205 . . . . 0.0 112.321 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.85 -21.33 64.28 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 129.542 3.137 . . . . 0.0 116.363 -178.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -90.03 -22.31 21.93 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 126.563 1.945 . . . . 0.0 112.26 176.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 84.28 41.25 8.05 Favored Glycine 0 C--N 1.363 2.05 0 C-N-CA 125.547 1.546 . . . . 0.0 116.043 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 t -97.67 122.23 49.03 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 C-N-CA 124.882 1.273 . . . . 0.0 110.228 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.5 m -65.51 118.58 9.65 Favored 'General case' 0 C--N 1.362 1.112 0 N-CA-C 116.39 1.996 . . . . 0.0 116.39 -175.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -99.04 126.62 44.8 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 125.27 1.428 . . . . 0.0 111.997 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -98.14 146.9 25.12 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 128.66 2.784 . . . . 0.0 108.438 175.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -118.16 147.62 18.6 Favored Glycine 0 C--N 1.357 1.717 0 C-N-CA 124.721 1.153 . . . . 0.0 111.498 -174.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 16.2 tt -120.02 116.63 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 N-CA-C 103.333 -2.839 . . . . 0.0 103.333 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.0 mp -114.63 114.54 46.88 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 -177.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -108.89 136.76 47.91 Favored 'General case' 0 C--N 1.362 1.133 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 175.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 73.2 t -131.15 151.53 35.96 Favored 'Isoleucine or valine' 0 C--O 1.244 0.79 0 N-CA-C 104.223 -2.51 . . . . 0.0 104.223 175.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.22 140.06 50.36 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 103.588 -2.745 . . . . 0.0 103.588 173.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -126.25 147.32 49.71 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 103.403 -2.814 . . . . 0.0 103.403 -173.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 20.5 m -136.04 143.32 44.64 Favored 'General case' 0 CA--C 1.5 -0.978 0 O-C-N 120.334 -1.479 . . . . 0.0 108.033 -174.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 11.9 pt -85.22 111.69 21.07 Favored 'Isoleucine or valine' 0 C--N 1.367 1.336 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 171.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . 0.266 21.3 t-20 84.41 77.51 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 C-N-CA 127.22 2.208 . . . . 0.0 112.966 -175.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.62 123.3 26.13 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 103.282 -2.858 . . . . 0.0 103.282 172.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -87.29 -41.81 13.39 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 124.989 1.315 . . . . 0.0 113.301 -175.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 67.3 p -109.62 102.83 11.63 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 124.785 1.234 . . . . 0.0 109.909 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.644 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 177.767 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' GLN . . . . . 0.567 ' N ' HE21 ' A' ' -4' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.437 -1.094 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -88.4 122.15 6.23 Favored Glycine 0 C--N 1.361 1.96 0 C-N-CA 125.899 1.714 . . . . 0.0 113.753 -177.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . 0.338 11.1 tp 77.58 40.83 0.15 Allowed 'General case' 0 C--N 1.363 1.172 0 C-N-CA 128.652 2.781 . . . . 0.0 115.907 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -130.86 63.85 1.58 Allowed 'General case' 0 C--N 1.36 1.025 0 C-N-CA 126.031 1.732 . . . . 0.0 107.798 173.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.9 t -89.85 122.27 32.75 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 125.8 1.64 . . . . 0.0 108.904 176.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -138.55 157.5 46.04 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 126.061 1.744 . . . . 0.0 107.87 -175.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -61.13 -24.23 66.12 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 128.726 2.81 . . . . 0.0 115.629 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.2 tp -72.54 -41.43 65.81 Favored 'General case' 0 C--N 1.368 1.385 0 C-N-CA 126.451 1.9 . . . . 0.0 112.474 175.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.09 -51.58 37.17 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 126.377 1.871 . . . . 0.0 113.679 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.403 ' HB2' ' HB ' ' A' ' 64' ' ' ILE . 60.7 p -58.18 -47.39 83.56 Favored 'General case' 0 C--N 1.375 1.691 0 O-C-N 119.912 -1.742 . . . . 0.0 114.056 178.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.787 0.4 OUTLIER -61.7 -34.9 76.58 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 129.831 3.252 . . . . 0.0 115.574 168.905 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.61 -22.61 3.46 Favored 'General case' 0 CA--C 1.568 1.638 0 O-C-N 118.293 -2.754 . . . . 0.0 114.269 163.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -55.72 -32.54 63.43 Favored 'General case' 0 N--CA 1.509 2.518 0 N-CA-C 117.461 2.393 . . . . 0.0 117.461 161.066 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.255 0.1 OUTLIER -70.2 -37.35 75.08 Favored 'General case' 0 C--N 1.375 1.676 0 C-N-CA 130.462 3.505 . . . . 0.0 110.408 173.076 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -63.05 -36.6 84.11 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 170.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.08 -32.63 67.22 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 125.91 1.684 . . . . 0.0 112.986 170.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 m -68.42 -42.12 79.41 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 128.022 2.529 . . . . 0.0 112.217 172.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.4 29.2 m -70.37 -30.58 43.64 Favored 'Isoleucine or valine' 0 C--N 1.385 2.152 0 O-C-N 119.637 -1.914 . . . . 0.0 112.181 169.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -70.07 -35.44 74.22 Favored 'General case' 0 C--N 1.378 1.839 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 170.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . 0.447 8.4 p30 -70.43 -34.31 72.33 Favored 'General case' 0 C--N 1.369 1.447 0 O-C-N 120.196 -1.565 . . . . 0.0 113.728 170.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.68 -40.4 95.34 Favored 'General case' 0 C--N 1.376 1.739 0 C-N-CA 125.45 1.5 . . . . 0.0 113.218 168.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -84.61 -24.14 29.26 Favored 'General case' 0 C--N 1.376 1.727 0 CA-C-N 119.949 1.249 . . . . 0.0 114.298 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 t -78.75 -32.84 46.82 Favored 'General case' 0 C--N 1.374 1.672 0 CA-C-N 120.087 1.312 . . . . 0.0 111.131 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -70.01 97.18 1.12 Allowed 'General case' 0 C--N 1.364 1.232 0 C-N-CA 126.446 1.899 . . . . 0.0 114.479 -178.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.336 6.0 pt20 -40.65 -43.05 3.85 Favored Pre-proline 0 C--N 1.362 1.143 0 N-CA-C 120.778 3.621 . . . . 0.0 120.778 -177.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -66.12 -28.34 48.77 Favored 'Trans proline' 0 CA--C 1.549 1.251 0 C-N-CA 124.567 3.512 . . . . 0.0 116.567 168.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.548 ' HG ' HH11 ' A' ' 85' ' ' ARG . 4.3 tt -79.41 -37.76 36.4 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 125.705 1.602 . . . . 0.0 113.947 -170.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.6 ptm -63.97 -28.5 69.86 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 128.5 2.72 . . . . 0.0 114.823 176.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -85.94 -12.39 50.65 Favored 'General case' 0 C--N 1.361 1.098 0 C-N-CA 126.34 1.856 . . . . 0.0 112.08 173.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 18.9 tpp -102.63 -27.8 12.52 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 127.657 2.383 . . . . 0.0 115.781 -176.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . 0.252 0.6 OUTLIER -121.54 145.59 27.9 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 -177.324 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -102.76 -11.63 18.2 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 119.706 -1.871 . . . . 0.0 112.073 173.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.442 ' HB2' ' HB2' ' A' ' 43' ' ' TYR 0.649 32.9 mm-40 -136.36 40.17 2.65 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 120.367 3.469 . . . . 0.0 120.367 -152.668 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.6 p -86.6 108.79 18.19 Favored 'Isoleucine or valine' 0 C--N 1.373 1.618 0 CA-C-O 125.607 2.622 . . . . 0.0 108.222 177.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.6 t -146.04 170.91 15.71 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 110.884 -2.871 . . . . 0.0 108.822 -170.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.51 5.4 10.63 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 126.734 2.014 . . . . 0.0 109.565 177.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.2 m -120.43 153.75 56.3 Favored Pre-proline 0 C--N 1.36 1.04 0 C-N-CA 125.827 1.651 . . . . 0.0 107.977 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -63.88 165.14 19.56 Favored 'Trans proline' 0 C--N 1.371 1.712 1 C-N-CA 126.579 4.853 . . . . 0.0 119.069 -174.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.47 49.55 0.04 OUTLIER Glycine 0 C--N 1.377 2.845 0 CA-C-O 121.381 0.434 . . . . 0.0 113.576 -175.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.644 ' H ' ' HD2' ' A' ' 37' ' ' LYS . 2.2 mptt -62.1 -17.24 57.01 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 129.518 3.127 . . . . 0.0 116.375 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -94.92 -2.74 49.97 Favored 'General case' 0 N--CA 1.441 -0.892 1 C-N-CA 132.853 4.461 . . . . 0.0 113.125 179.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -90.11 167.1 17.78 Favored Pre-proline 0 C--N 1.366 1.286 0 C-N-CA 125.361 1.464 . . . . 0.0 109.996 176.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -68.37 143.34 57.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 C-N-CA 124.086 3.191 . . . . 0.0 115.154 -176.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -97.86 141.72 23.43 Favored Pre-proline 0 C--N 1.361 1.107 0 C-N-CA 126.859 2.063 . . . . 0.0 109.092 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -81.25 149.41 75.33 Favored 'Cis proline' 0 C--N 1.359 1.121 0 CA-C-N 122.848 2.053 . . . . 0.0 112.846 0.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.442 ' HB2' ' HB2' ' A' ' 30' ' ' GLN . 6.3 p90 -156.29 167.25 31.02 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 124.976 1.31 . . . . 0.0 113.032 -176.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.8 p -135.28 137.89 49.4 Favored 'Isoleucine or valine' 0 C--N 1.402 2.884 0 CA-C-O 125.971 2.796 . . . . 0.0 118.112 -175.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.412 ' HB ' ' CH2' ' A' ' 71' ' ' TRP . 1.0 OUTLIER -117.05 130.77 71.42 Favored 'Isoleucine or valine' 0 C--N 1.362 1.147 0 C-N-CA 128.536 2.735 . . . . 0.0 109.196 173.208 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.3 mt -108.52 136.56 43.79 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 C-N-CA 125.566 1.546 . . . . 0.0 107.833 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -167.07 -133.06 1.47 Allowed Glycine 0 C--N 1.353 1.519 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -146.34 162.71 37.56 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 126.27 1.828 . . . . 0.0 106.477 176.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.95 126.07 36.89 Favored 'General case' 0 C--N 1.366 1.283 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 171.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . 0.364 95.9 p 82.76 61.12 0.01 OUTLIER 'General case' 0 C--N 1.36 1.063 0 C-N-CA 127.033 2.133 . . . . 0.0 112.894 -175.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.3 t -76.61 64.53 2.27 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.102 2.161 . . . . 0.0 114.568 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.9 m -156.41 108.95 2.04 Favored Pre-proline 0 C--N 1.35 0.598 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -74.54 138.52 24.37 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 124.04 3.16 . . . . 0.0 113.632 -175.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -135.89 150.58 49.41 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 127.698 2.399 . . . . 0.0 105.362 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . 0.264 52.7 mm-40 86.2 90.57 0.02 OUTLIER 'General case' 0 C--N 1.362 1.13 0 C-N-CA 127.939 2.495 . . . . 0.0 110.804 -176.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.9 t -123.51 159.26 29.49 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 125.405 1.482 . . . . 0.0 108.795 -178.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . 0.266 49.5 tttp 93.34 45.5 0.0 OUTLIER 'General case' 0 C--N 1.361 1.104 0 C-N-CA 131.209 3.804 . . . . 0.0 111.355 -175.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.9 t 173.77 -153.2 0.01 OUTLIER 'General case' 0 C--N 1.364 1.233 0 N-CA-C 103.308 -2.849 . . . . 0.0 103.308 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.0 m -154.66 114.34 3.76 Favored 'General case' 0 C--N 1.36 1.042 0 CA-C-N 121.08 1.764 . . . . 0.0 111.709 175.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -75.41 42.14 0.2 Allowed 'General case' 0 C--N 1.369 1.444 0 C-N-CA 128.05 2.54 . . . . 0.0 115.575 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -101.18 63.98 0.53 Allowed Glycine 0 C--N 1.361 1.945 0 C-N-CA 128.024 2.726 . . . . 0.0 110.549 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -133.11 -6.15 3.05 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 126.601 1.96 . . . . 0.0 110.484 -178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -151.62 172.73 15.61 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 102.643 -3.095 . . . . 0.0 102.643 178.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.403 ' HB ' ' HB2' ' A' ' 7' ' ' SER . 1.6 tp -142.72 122.48 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 N-CA-C 102.009 -3.33 . . . . 0.0 102.009 -174.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.7 m -113.73 135.91 53.42 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 125.207 1.403 . . . . 0.0 107.522 -177.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 mtp -131.53 152.12 51.01 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 125.786 1.634 . . . . 0.0 109.405 -178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -147.8 139.74 24.1 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 170.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -111.19 129.4 55.96 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 104.09 -2.559 . . . . 0.0 104.09 173.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -121.66 118.63 29.64 Favored 'General case' 0 CA--C 1.493 -1.244 0 N-CA-C 104.818 -2.29 . . . . 0.0 104.818 176.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -122.41 134.43 65.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 -174.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.412 ' CH2' ' HB ' ' A' ' 45' ' ' VAL . 2.8 m-90 -123.84 114.72 20.24 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 119.341 -0.944 . . . . 0.0 108.562 176.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.01 173.69 15.05 Favored Glycine 0 C--N 1.359 1.819 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 175.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -139.61 145.84 17.12 Favored Glycine 0 C--N 1.348 1.219 0 N-CA-C 106.124 -2.791 . . . . 0.0 106.124 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.287 87.1 m 143.89 -70.92 0.0 OUTLIER 'General case' 0 C--N 1.354 0.779 0 C-N-CA 130.281 3.433 . . . . 0.0 107.149 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.1 m -162.34 170.46 18.85 Favored 'General case' 0 C--N 1.362 1.131 0 O-C-N 119.354 -2.091 . . . . 0.0 106.337 -178.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -55.38 -34.82 64.67 Favored 'General case' 0 C--N 1.366 1.308 1 C-N-CA 132.552 4.341 . . . . 0.0 114.323 173.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.76 -35.32 61.15 Favored 'General case' 0 C--N 1.372 1.565 0 C-N-CA 130.114 3.366 . . . . 0.0 114.149 175.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -58.45 -32.24 68.53 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 129.351 3.06 . . . . 0.0 114.012 173.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.05 -30.75 71.85 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 126.618 1.967 . . . . 0.0 114.123 175.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -74.24 -43.01 58.76 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 128.58 2.752 . . . . 0.0 111.182 174.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -67.34 -48.22 68.14 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 129.112 2.965 . . . . 0.0 115.583 174.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.7 pt -69.68 -38.36 76.13 Favored 'Isoleucine or valine' 0 C--N 1.374 1.657 0 C-N-CA 125.875 1.67 . . . . 0.0 112.97 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.6 m -66.19 -38.43 88.0 Favored 'General case' 0 C--N 1.378 1.811 0 C-N-CA 125.202 1.401 . . . . 0.0 111.384 173.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.5 m -61.59 -45.71 92.97 Favored 'General case' 0 C--N 1.377 1.777 0 C-N-CA 127.036 2.134 . . . . 0.0 113.634 172.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.548 HH11 ' HG ' ' A' ' 24' ' ' LEU 0.321 33.6 ptt85 -65.88 -46.08 79.72 Favored 'General case' 0 C--N 1.379 1.864 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 174.71 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.271 33.3 m -61.64 -38.68 80.86 Favored 'Isoleucine or valine' 0 C--N 1.385 2.115 0 CA-C-N 120.773 1.624 . . . . 0.0 114.657 174.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.55 -46.61 59.02 Favored 'General case' 0 C--N 1.373 1.598 0 C-N-CA 129.256 3.022 . . . . 0.0 113.916 174.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -66.64 -33.66 76.14 Favored 'General case' 0 C--N 1.376 1.725 0 O-C-N 119.749 -1.844 . . . . 0.0 113.951 174.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.23 -49.6 69.05 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 126.306 1.842 . . . . 0.0 111.088 168.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.258 3.4 tt -49.77 -41.44 44.18 Favored 'General case' 0 C--N 1.373 1.602 0 C-N-CA 128.832 2.853 . . . . 0.0 116.184 177.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.355 0.2 OUTLIER -104.71 9.39 35.09 Favored 'General case' 0 C--N 1.365 1.246 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 170.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.28 -52.05 11.79 Favored 'General case' 0 C--N 1.367 1.367 0 O-C-N 119.713 -1.867 . . . . 0.0 106.938 176.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.31 0.0 OUTLIER -121.5 104.44 40.01 Favored Pre-proline 0 C--N 1.352 0.682 0 N-CA-C 103.734 -2.691 . . . . 0.0 103.734 171.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.17 156.94 51.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 123.547 2.831 . . . . 0.0 114.326 -167.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.0 mt -67.52 108.41 2.83 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 127.618 2.367 . . . . 0.0 114.936 -174.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 52.4 ttm -144.3 140.57 29.25 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 120.666 -1.271 . . . . 0.0 112.254 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -135.17 108.37 7.73 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 175.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 66.87 18.1 10.6 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 129.961 3.305 . . . . 0.0 115.817 173.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 102.67 -5.78 51.59 Favored Glycine 0 C--N 1.351 1.402 0 C-N-CA 125.698 1.618 . . . . 0.0 111.141 -171.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -87.49 129.43 35.07 Favored 'General case' 0 C--N 1.367 1.367 0 O-C-N 120.638 -1.507 . . . . 0.0 108.625 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.4 p -102.86 150.06 23.88 Favored 'General case' 0 C--N 1.363 1.157 0 CA-C-O 123.557 1.646 . . . . 0.0 112.91 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 10' ' ' LEU . 13.1 m-85 -122.82 115.62 22.32 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 101.378 -3.564 . . . . 0.0 101.378 177.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 81.5 t -106.45 128.11 61.27 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.73 0 C-N-CA 130.008 3.323 . . . . 0.0 105.967 -171.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.21 137.57 35.86 Favored 'General case' 0 C--N 1.363 1.17 0 N-CA-C 116.979 2.214 . . . . 0.0 116.979 -170.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -112.42 128.52 56.33 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 127.232 2.213 . . . . 0.0 107.148 175.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -106.12 153.18 22.44 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 126.346 1.859 . . . . 0.0 113.711 -177.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.0 tp -151.96 159.84 43.66 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 104.854 -2.276 . . . . 0.0 104.854 178.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 28.0 m -74.09 -13.16 15.68 Favored 'Isoleucine or valine' 0 C--N 1.366 1.313 0 N-CA-C 119.067 2.988 . . . . 0.0 119.067 -173.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . 0.512 0.6 OUTLIER 82.84 150.95 0.09 Allowed 'General case' 0 C--N 1.353 0.741 0 C-N-CA 129.08 2.952 . . . . 0.0 117.432 179.086 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.82 127.88 49.66 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 127.113 2.165 . . . . 0.0 106.92 175.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -121.25 117.28 26.64 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 126.101 1.76 . . . . 0.0 111.784 -176.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.9 p -128.31 127.66 67.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.099 0 N-CA-C 106.069 -1.826 . . . . 0.0 106.069 170.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 67.2 mt -119.55 116.41 50.62 Favored 'Isoleucine or valine' 0 C--N 1.363 1.163 0 N-CA-C 104.342 -2.466 . . . . 0.0 104.342 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.2 t -121.59 109.53 14.89 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 106.487 -1.671 . . . . 0.0 106.487 176.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -138.02 152.34 48.77 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 124.78 1.232 . . . . 0.0 108.124 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.2 m -61.0 -40.58 94.09 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 130.359 3.464 . . . . 0.0 116.21 -178.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -90.68 -12.23 37.37 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 126.404 1.881 . . . . 0.0 111.41 173.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.72 -6.33 83.6 Favored Glycine 0 C--N 1.354 1.555 1 C-N-CA 131.599 4.428 . . . . 0.0 120.143 174.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.9 m -129.38 99.64 4.83 Favored 'Isoleucine or valine' 0 C--N 1.362 1.143 0 CA-C-N 121.727 2.764 . . . . 0.0 110.59 172.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.32 144.39 25.58 Favored 'General case' 0 C--N 1.363 1.176 0 O-C-N 119.552 -1.968 . . . . 0.0 109.621 167.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.36 111.62 24.13 Favored 'General case' 0 C--N 1.369 1.441 0 CA-C-N 120.907 1.685 . . . . 0.0 108.175 168.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.24 148.9 46.79 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 125.901 1.681 . . . . 0.0 110.839 175.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -108.48 118.78 5.46 Favored Glycine 0 C--N 1.355 1.638 0 N-CA-C 108.351 -1.9 . . . . 0.0 108.351 162.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.73 112.36 39.39 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 N-CA-C 101.209 -3.626 . . . . 0.0 101.209 172.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.6 mp -117.55 113.7 43.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 C-N-CA 126.429 1.892 . . . . 0.0 107.113 -175.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -105.86 138.77 41.49 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 124.802 1.241 . . . . 0.0 111.109 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 1.6 m -144.67 150.08 16.62 Favored 'Isoleucine or valine' 0 C--N 1.361 1.084 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 175.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -117.67 140.23 49.94 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -126.58 150.58 48.77 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 105.642 -1.984 . . . . 0.0 105.642 -178.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 95.8 m -127.63 143.3 51.17 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.9 pt -97.02 143.91 11.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.105 0 C-N-CA 130.714 3.606 . . . . 0.0 113.864 -173.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -98.49 41.51 1.13 Allowed 'General case' 0 C--N 1.37 1.478 0 O-C-N 119.826 -1.796 . . . . 0.0 113.468 -176.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -93.78 -3.87 51.3 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 126.276 1.83 . . . . 0.0 112.374 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -75.89 40.48 0.2 Allowed 'General case' 0 C--N 1.363 1.18 0 C-N-CA 127.722 2.409 . . . . 0.0 114.239 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 32.3 p -101.16 95.28 6.44 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 128.234 2.614 . . . . 0.0 111.163 -177.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.358 1.754 0 C-N-CA 124.989 1.281 . . . . 0.0 110.368 -176.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 . . . . . 0 N--CA 1.437 -1.114 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -164.79 150.2 17.93 Favored Glycine 0 CA--C 1.491 -1.44 0 N-CA-C 104.137 -3.585 . . . . 0.0 104.137 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . 0.27 3.7 mm? 80.24 75.12 0.04 OUTLIER 'General case' 0 C--N 1.362 1.142 0 C-N-CA 127.475 2.31 . . . . 0.0 111.477 -177.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -138.3 161.22 37.47 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.0 m -156.86 61.27 0.52 Allowed 'General case' 0 C--N 1.348 0.507 0 N-CA-C 104.843 -2.28 . . . . 0.0 104.843 174.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -134.0 80.95 1.89 Allowed 'General case' 0 C--N 1.354 0.796 0 O-C-N 121.292 -0.88 . . . . 0.0 110.185 -177.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -75.37 -14.51 60.47 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 126.06 1.744 . . . . 0.0 112.914 177.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.86 -22.98 65.96 Favored 'General case' 0 C--N 1.37 1.47 0 C-N-CA 129.034 2.934 . . . . 0.0 111.4 170.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.9 -33.75 69.08 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 128.063 2.545 . . . . 0.0 114.355 173.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.7 m -62.44 -46.68 87.43 Favored 'General case' 0 C--N 1.373 1.615 0 CA-C-O 123.583 1.658 . . . . 0.0 113.304 172.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.619 15.3 ptp180 -74.12 -38.04 63.92 Favored 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 130.043 3.337 . . . . 0.0 116.528 171.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.2 -23.88 64.35 Favored 'General case' 0 C--N 1.371 1.521 0 O-C-N 116.444 -3.91 . . . . 0.0 112.793 167.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.472 HD21 ' CG ' ' A' ' 102' ' ' PHE 0.258 0.5 OUTLIER -65.76 -29.14 69.6 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 127.2 2.2 . . . . 0.0 111.76 163.288 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.408 2.2 pp0? -66.04 -38.05 87.39 Favored 'General case' 0 C--N 1.383 2.033 0 CA-C-N 122.702 2.501 . . . . 0.0 111.755 170.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.336 0.0 OUTLIER -67.4 -29.67 69.24 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 165.822 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.65 -41.62 71.89 Favored 'General case' 0 C--N 1.361 1.095 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 171.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -69.59 -30.35 68.09 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 127.264 2.226 . . . . 0.0 111.484 172.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.12 -35.32 52.92 Favored 'Isoleucine or valine' 0 C--N 1.371 1.54 0 O-C-N 119.657 -1.902 . . . . 0.0 112.385 167.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -70.33 -30.32 67.26 Favored 'General case' 0 C--N 1.367 1.336 0 CA-C-O 122.926 1.346 . . . . 0.0 112.397 174.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -43.91 97.8 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 128.565 2.746 . . . . 0.0 112.77 167.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 mp -59.76 -38.77 82.73 Favored 'General case' 0 C--N 1.376 1.729 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 168.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -27.02 64.48 Favored 'General case' 0 C--N 1.369 1.451 0 C-N-CA 127.579 2.352 . . . . 0.0 113.792 171.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 t -76.92 -35.01 57.64 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 125.922 1.689 . . . . 0.0 112.435 176.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -72.49 94.64 1.69 Allowed 'General case' 0 C--N 1.364 1.197 0 CA-C-O 123.069 1.414 . . . . 0.0 113.734 178.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.394 6.1 pt20 -40.62 -49.37 7.16 Favored Pre-proline 0 C--N 1.366 1.284 0 N-CA-C 120.789 3.625 . . . . 0.0 120.789 -173.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -65.95 -20.51 57.7 Favored 'Trans proline' 0 CA--C 1.551 1.326 0 CA-C-N 127.961 3.879 . . . . 0.0 116.212 169.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.38 -33.04 49.12 Favored 'General case' 0 C--N 1.371 1.509 0 CA-C-N 122.172 2.26 . . . . 0.0 112.026 -175.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 59.7 mmm -57.12 -27.55 61.92 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 130.872 3.669 . . . . 0.0 114.964 167.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -82.75 -32.67 27.73 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 126.35 1.86 . . . . 0.0 112.518 172.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 61.0 mtt -81.65 -41.13 21.87 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 126.253 1.821 . . . . 0.0 113.497 177.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.91 143.56 35.41 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 N-CA-C 103.309 -2.849 . . . . 0.0 103.309 172.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -101.82 -34.97 9.21 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 129.041 2.936 . . . . 0.0 111.565 174.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -97.33 37.96 1.3 Allowed 'General case' 0 N--CA 1.436 -1.172 1 C-N-CA 137.176 6.19 . . . . 0.0 112.986 -166.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 p -88.17 108.36 18.53 Favored 'Isoleucine or valine' 0 C--N 1.368 1.379 0 CA-C-O 123.781 1.753 . . . . 0.0 107.676 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.6 t -140.48 154.38 46.58 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 113.822 -1.536 . . . . 0.0 112.311 -168.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.65 43.06 0.81 Allowed 'General case' 0 C--N 1.356 0.873 0 C-N-CA 128.261 2.625 . . . . 0.0 115.401 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.411 63.9 m 118.74 -71.11 0.0 OUTLIER Pre-proline 0 C--N 1.358 0.939 0 C-N-CA 129.403 3.081 . . . . 0.0 112.944 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -72.67 138.26 28.89 Favored 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 124.212 3.274 . . . . 0.0 114.026 -173.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 128.61 -12.07 6.28 Favored Glycine 0 C--N 1.358 1.786 0 CA-C-O 123.062 1.368 . . . . 0.0 109.726 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -13.99 24.72 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 130.924 3.689 . . . . 0.0 116.568 -177.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -91.49 -1.66 57.47 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 127.886 2.475 . . . . 0.0 111.774 176.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -95.01 160.57 30.66 Favored Pre-proline 0 C--N 1.362 1.128 0 O-C-N 120.538 -1.351 . . . . 0.0 109.01 175.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -77.98 162.82 28.9 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 124.084 3.189 . . . . 0.0 115.284 -174.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -76.17 160.42 78.13 Favored Pre-proline 0 CA--C 1.56 1.358 0 C-N-CA 129.056 2.942 . . . . 0.0 113.634 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -77.38 146.84 83.74 Favored 'Cis proline' 0 C--N 1.362 1.251 0 CA-C-N 122.037 1.763 . . . . 0.0 112.426 -0.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.428 ' CE1' ' CZ3' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -172.81 168.91 4.98 Favored 'General case' 0 CA--C 1.558 1.261 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 -171.405 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.3 t -137.26 130.04 43.48 Favored 'Isoleucine or valine' 0 C--N 1.392 2.426 0 CA-C-O 123.361 1.553 . . . . 0.0 111.897 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.0 m -121.3 146.04 26.93 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 O-C-N 120.543 -1.348 . . . . 0.0 110.278 170.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.2 mm -88.52 140.16 16.24 Favored 'Isoleucine or valine' 0 C--N 1.367 1.338 0 C-N-CA 125.928 1.691 . . . . 0.0 109.217 169.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -143.59 -150.56 5.3 Favored Glycine 0 C--N 1.352 1.417 0 N-CA-C 107.306 -2.318 . . . . 0.0 107.306 168.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -146.21 132.87 19.89 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 100.808 -3.775 . . . . 0.0 100.808 175.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -125.16 149.31 48.04 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 120.3 1.409 . . . . 0.0 107.436 -175.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.8 t -148.35 177.85 9.08 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.3 p -120.46 -73.04 0.66 Allowed 'General case' 0 C--N 1.347 0.485 0 C-N-CA 127.886 2.475 . . . . 0.0 111.379 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.3 m -87.33 107.94 17.25 Favored Pre-proline 0 C--N 1.354 0.781 0 C-N-CA 128.467 2.707 . . . . 0.0 111.611 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -78.58 143.38 19.02 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 124.277 3.318 . . . . 0.0 112.767 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -135.98 150.92 49.44 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 127.849 2.46 . . . . 0.0 106.041 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -85.46 -12.03 52.86 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 126.798 2.039 . . . . 0.0 113.221 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.7 t -161.36 163.14 30.9 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 103.191 -2.892 . . . . 0.0 103.191 176.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -145.32 133.11 21.11 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.749 -1.219 . . . . 0.0 108.95 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.7 t -88.53 62.05 6.38 Favored 'General case' 0 C--N 1.361 1.081 0 O-C-N 120.505 -1.372 . . . . 0.0 110.512 175.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.9 m -162.08 67.51 0.25 Allowed 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -132.09 107.7 8.82 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 105.014 -2.217 . . . . 0.0 105.014 175.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.5 70.94 0.04 OUTLIER Glycine 0 C--N 1.349 1.29 0 O-C-N 121.003 -1.061 . . . . 0.0 111.386 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 78.53 51.49 0.03 OUTLIER 'General case' 0 C--N 1.363 1.177 0 C-N-CA 128.168 2.587 . . . . 0.0 113.901 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -135.69 128.35 30.83 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 125.73 1.612 . . . . 0.0 111.102 -175.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 mp -112.25 130.21 66.36 Favored 'Isoleucine or valine' 0 C--N 1.361 1.069 0 C-N-CA 130.418 3.487 . . . . 0.0 102.825 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 t -131.04 136.43 48.45 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 101.41 -3.552 . . . . 0.0 101.41 172.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 37.2 ttm -147.66 145.79 29.06 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 124.483 1.113 . . . . 0.0 108.519 -171.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.67 146.48 41.66 Favored 'General case' 0 CA--C 1.492 -1.284 0 CA-C-O 123.226 1.489 . . . . 0.0 108.334 175.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.358 0.0 OUTLIER -129.44 136.75 50.32 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 103.657 -2.72 . . . . 0.0 103.657 174.173 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.403 ' CE1' HD13 ' A' ' 124' ' ' ILE . 44.8 m-70 -111.7 117.79 33.84 Favored 'General case' 0 C--N 1.357 0.917 1 N-CA-C 98.952 -4.462 . . . . 0.0 98.952 -175.56 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.4 t -122.57 111.29 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.166 0 N-CA-C 103.247 -2.872 . . . . 0.0 103.247 -167.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.428 ' CZ3' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -130.75 138.49 49.99 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 117.562 -1.655 . . . . 0.0 108.897 -173.859 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -147.49 166.63 28.65 Favored Glycine 0 CA--C 1.485 -1.824 0 CA-C-O 123.115 1.397 . . . . 0.0 113.036 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -174.5 112.13 0.39 Allowed Glycine 0 CA--C 1.49 -1.515 0 N-CA-C 104.064 -3.614 . . . . 0.0 104.064 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.2 m -167.75 -51.02 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 -175.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 m -143.57 155.54 44.32 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 102.803 -3.036 . . . . 0.0 102.803 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -62.84 -35.66 80.67 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 129.079 2.951 . . . . 0.0 115.775 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.04 -35.43 64.33 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 130.703 3.601 . . . . 0.0 113.174 176.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.269 21.8 tt0 -58.66 -36.42 74.11 Favored 'General case' 0 C--N 1.366 1.308 0 N-CA-C 117.664 2.468 . . . . 0.0 117.664 -174.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.32 92.87 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 126.7 2.0 . . . . 0.0 114.186 173.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -77.12 -32.16 56.28 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 128.268 2.627 . . . . 0.0 110.591 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -66.93 -50.05 63.59 Favored 'General case' 0 C--N 1.371 1.513 0 C-N-CA 125.86 1.664 . . . . 0.0 112.398 169.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.269 17.8 pt -58.3 -38.18 67.49 Favored 'Isoleucine or valine' 0 C--N 1.38 1.9 0 CA-C-N 121.438 1.926 . . . . 0.0 113.782 174.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.1 m -65.25 -49.84 68.07 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 127.409 2.284 . . . . 0.0 114.63 174.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.2 m -70.54 -35.97 73.44 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 128.405 2.682 . . . . 0.0 113.258 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 84.7 mmt-85 -76.17 -33.46 59.34 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 127.726 2.41 . . . . 0.0 111.931 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.56 -47.59 88.47 Favored 'Isoleucine or valine' 0 C--N 1.384 2.085 0 C-N-CA 126.286 1.834 . . . . 0.0 110.634 168.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.08 -50.04 73.56 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 128.175 2.59 . . . . 0.0 114.819 176.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.07 -38.2 82.14 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 128.116 2.567 . . . . 0.0 111.405 172.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.45 98.87 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 126.058 1.743 . . . . 0.0 113.88 168.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 39.8 mt -57.12 -29.63 63.71 Favored 'General case' 0 C--N 1.389 2.324 0 C-N-CA 127.393 2.277 . . . . 0.0 114.252 174.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 1.014 0.2 OUTLIER -115.78 10.96 15.5 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 119.858 3.281 . . . . 0.0 119.858 168.432 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.46 -49.72 11.03 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 126.401 1.88 . . . . 0.0 107.464 170.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -108.69 148.92 38.74 Favored Pre-proline 0 C--N 1.358 0.969 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -79.19 159.21 26.62 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 124.64 3.56 . . . . 0.0 111.579 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.78 107.45 19.93 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 3.8 mtp -143.83 141.04 30.15 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.436 1.494 . . . . 0.0 110.863 -174.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -131.57 107.56 8.94 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 103.407 -2.812 . . . . 0.0 103.407 173.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 73.52 25.27 2.13 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 130.003 3.321 . . . . 0.0 114.577 175.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.31 2.88 61.79 Favored Glycine 0 C--N 1.36 1.892 0 C-N-CA 125.708 1.623 . . . . 0.0 113.382 -177.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -100.09 124.63 45.7 Favored 'General case' 0 C--N 1.36 1.039 0 CA-C-N 117.58 0.69 . . . . 0.0 109.703 -176.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 m -98.13 139.13 34.39 Favored 'General case' 0 C--N 1.373 1.598 0 C-N-CA 124.602 1.161 . . . . 0.0 113.991 -173.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.472 ' CG ' HD21 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -127.48 144.95 50.99 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 -179.35 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -106.0 124.24 61.1 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 C-N-CA 124.164 0.986 . . . . 0.0 109.734 -171.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.17 137.98 35.87 Favored 'General case' 0 C--N 1.362 1.115 0 C-N-CA 126.845 2.058 . . . . 0.0 113.326 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -123.42 132.5 53.97 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 105.74 -1.948 . . . . 0.0 105.74 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt 81.17 116.16 0.06 Allowed 'General case' 0 C--N 1.368 1.383 0 C-N-CA 127.845 2.458 . . . . 0.0 114.52 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 73.2 mt -126.85 78.99 1.84 Allowed 'General case' 0 C--N 1.355 0.816 0 O-C-N 120.12 -1.612 . . . . 0.0 106.71 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.5 t -109.68 149.12 12.91 Favored 'Isoleucine or valine' 0 C--N 1.358 0.959 0 C-N-CA 125.603 1.561 . . . . 0.0 111.858 -174.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -152.57 -173.43 4.56 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 104.989 -2.226 . . . . 0.0 104.989 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . 0.299 . . 110.38 -6.72 0.01 OUTLIER 'General case' 0 C--N 1.368 1.388 0 C-N-CA 128.004 2.522 . . . . 0.0 115.848 174.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -71.9 -14.17 61.86 Favored 'General case' 0 C--N 1.372 1.546 0 C-N-CA 126.575 1.95 . . . . 0.0 114.401 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.0 m -93.1 115.68 32.47 Favored 'Isoleucine or valine' 0 C--N 1.363 1.176 0 C-N-CA 127.87 2.468 . . . . 0.0 107.725 172.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 52.8 mt -117.75 159.13 18.19 Favored 'Isoleucine or valine' 0 C--N 1.345 0.383 0 C-N-CA 127.724 2.41 . . . . 0.0 108.281 -175.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 87.5 m -104.07 119.86 39.85 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 126.201 1.8 . . . . 0.0 107.033 175.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -103.2 136.27 43.3 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 125.411 1.484 . . . . 0.0 107.906 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.9 p -63.35 -20.69 65.73 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 129.796 3.238 . . . . 0.0 116.201 -178.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -90.14 -10.7 43.59 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 127.14 2.176 . . . . 0.0 113.005 176.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.7 47.84 4.4 Favored Glycine 0 C--N 1.368 2.311 0 N-CA-C 117.462 1.745 . . . . 0.0 117.462 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -90.46 150.01 3.87 Favored 'Isoleucine or valine' 0 C--N 1.362 1.112 0 C-N-CA 125.944 1.698 . . . . 0.0 113.06 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.1 m -65.82 139.45 58.32 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 127.675 2.39 . . . . 0.0 112.189 175.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -98.52 134.24 41.75 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 124.917 1.287 . . . . 0.0 111.848 -173.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -133.07 119.85 20.54 Favored 'General case' 0 N--CA 1.436 -1.165 0 C-N-CA 126.659 1.984 . . . . 0.0 106.648 -176.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.75 137.36 9.37 Favored Glycine 0 C--N 1.351 1.372 0 N-CA-C 108.68 -1.768 . . . . 0.0 108.68 176.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.403 HD13 ' CE1' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -111.29 122.87 66.53 Favored 'Isoleucine or valine' 0 C--N 1.361 1.081 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 175.841 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.3 mt -113.89 116.29 52.17 Favored 'Isoleucine or valine' 0 C--N 1.362 1.136 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 -177.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -108.63 140.22 42.31 Favored 'General case' 0 CA--C 1.488 -1.404 0 C-N-CA 125.615 1.566 . . . . 0.0 107.71 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . 0.281 3.5 p -141.94 144.57 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 0 CA-C-N 113.969 -1.469 . . . . 0.0 107.36 171.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -117.47 139.73 50.53 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 127.839 2.456 . . . . 0.0 104.473 178.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -131.9 140.46 49.07 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 103.988 -2.597 . . . . 0.0 103.988 -176.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 62.5 m -128.48 143.12 50.93 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 -176.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.2 pt -122.94 137.39 56.57 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 176.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.9 22.43 10.38 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 125.569 1.548 . . . . 0.0 108.062 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 80.78 132.85 0.06 Allowed 'General case' 0 C--N 1.368 1.382 0 C-N-CA 130.122 3.369 . . . . 0.0 115.862 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -122.47 114.11 20.26 Favored 'General case' 0 C--N 1.362 1.133 0 O-C-N 119.757 -1.839 . . . . 0.0 106.741 174.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 77.1 p -82.8 90.54 6.92 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 125.672 1.589 . . . . 0.0 111.91 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.469 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -178.876 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 . . . . . 0 N--CA 1.44 -0.926 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 102.66 -172.61 22.08 Favored Glycine 0 C--N 1.353 1.515 0 C-N-CA 125.821 1.677 . . . . 0.0 109.57 -171.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 38.8 mt -94.99 30.6 2.07 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 125.25 1.42 . . . . 0.0 113.86 -176.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -82.6 -19.49 38.29 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 131.05 3.74 . . . . 0.0 111.799 176.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.6 m -73.39 83.27 1.44 Allowed 'General case' 0 C--N 1.354 0.775 0 C-N-CA 128.506 2.722 . . . . 0.0 115.992 -172.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -100.91 -142.74 0.34 Allowed 'General case' 0 C--N 1.358 0.958 0 C-N-CA 126.392 1.877 . . . . 0.0 110.753 176.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp 59.53 -105.27 0.23 Allowed 'General case' 0 C--N 1.364 1.215 0 C-N-CA 129.049 2.94 . . . . 0.0 114.923 178.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.0 tp -72.94 -32.23 65.13 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 127.778 2.431 . . . . 0.0 113.593 176.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.71 -36.27 82.1 Favored 'General case' 0 C--N 1.374 1.637 0 C-N-CA 125.385 1.474 . . . . 0.0 114.486 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.9 m -58.51 -47.2 84.92 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 127.541 2.336 . . . . 0.0 114.303 175.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.527 71.9 ttt180 -73.73 -37.88 64.97 Favored 'General case' 0 C--O 1.249 1.056 0 C-N-CA 127.591 2.356 . . . . 0.0 116.396 172.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.82 -23.77 54.22 Favored 'General case' 0 CA--C 1.557 1.238 0 O-C-N 118.743 -2.473 . . . . 0.0 114.495 168.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.531 HD21 ' CD1' ' A' ' 102' ' ' PHE 0.452 0.0 OUTLIER -63.42 -28.36 69.93 Favored 'General case' 0 C--N 1.376 1.76 0 O-C-N 119.267 -2.146 . . . . 0.0 114.707 164.04 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -69.71 -41.04 75.9 Favored 'General case' 0 C--N 1.377 1.781 0 C-N-CA 126.524 1.93 . . . . 0.0 109.502 175.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.321 0.0 OUTLIER -67.44 -29.89 69.48 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 166.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.01 -36.74 69.79 Favored 'General case' 0 C--N 1.365 1.279 0 O-C-N 119.833 -1.792 . . . . 0.0 112.749 172.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.314 6.8 m -70.39 -36.9 74.38 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 126.737 2.015 . . . . 0.0 111.455 174.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.07 -31.67 54.72 Favored 'Isoleucine or valine' 0 C--N 1.374 1.656 0 C-N-CA 125.517 1.527 . . . . 0.0 113.103 169.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -70.92 -30.21 66.48 Favored 'General case' 0 C--N 1.37 1.496 0 C-N-CA 124.488 1.115 . . . . 0.0 113.833 171.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -66.53 -43.59 84.77 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 126.402 1.881 . . . . 0.0 111.395 170.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.3 mt -59.18 -40.73 86.59 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 125.265 1.426 . . . . 0.0 114.459 170.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -24.29 57.05 Favored 'General case' 0 C--N 1.369 1.422 0 C-N-CA 124.391 1.076 . . . . 0.0 113.164 173.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -81.9 -20.98 37.67 Favored 'General case' 0 C--N 1.37 1.481 0 C-N-CA 125.346 1.458 . . . . 0.0 114.757 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -83.61 103.91 13.31 Favored 'General case' 0 C--N 1.366 1.313 0 CA-C-N 120.33 1.423 . . . . 0.0 114.793 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.422 6.7 pm0 -41.03 -49.86 7.9 Favored Pre-proline 0 C--N 1.372 1.552 0 N-CA-C 119.161 3.023 . . . . 0.0 119.161 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.99 -26.56 50.98 Favored 'Trans proline' 0 CA--C 1.545 1.036 0 C-N-CA 125.002 3.801 . . . . 0.0 115.564 170.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.91 -40.7 18.24 Favored 'General case' 0 C--N 1.369 1.433 0 CA-C-N 120.918 1.69 . . . . 0.0 111.567 -176.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . 0.276 0.1 OUTLIER -64.81 -27.79 69.12 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 126.229 1.812 . . . . 0.0 113.655 169.094 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -74.79 -21.88 59.06 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 125.116 1.366 . . . . 0.0 113.04 169.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -102.33 -18.63 15.34 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 127.038 2.135 . . . . 0.0 116.225 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.4 m -121.62 145.07 28.81 Favored 'Isoleucine or valine' 0 C--N 1.371 1.506 0 O-C-N 119.116 -2.24 . . . . 0.0 105.886 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -102.69 -12.0 17.99 Favored 'General case' 0 C--N 1.362 1.133 0 O-C-N 119.477 -2.015 . . . . 0.0 112.986 177.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.406 ' HB3' ' CB ' ' A' ' 43' ' ' TYR 0.644 3.2 tp-100 -136.77 39.45 2.59 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 129.824 3.25 . . . . 0.0 118.132 -161.615 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.8 p -85.44 109.25 18.08 Favored 'Isoleucine or valine' 0 C--N 1.366 1.319 0 CA-C-O 125.121 2.391 . . . . 0.0 107.808 176.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.5 t -146.43 168.87 20.11 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 111.871 -2.422 . . . . 0.0 111.464 -171.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -108.39 -11.37 15.19 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 127.188 2.195 . . . . 0.0 113.245 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.274 5.9 m -176.15 -71.02 0.0 OUTLIER Pre-proline 0 C--N 1.357 0.893 0 CA-C-O 116.454 -1.736 . . . . 0.0 108.831 179.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.81 136.27 27.43 Favored 'Trans proline' 0 C--N 1.362 1.278 0 CA-C-N 126.09 3.211 . . . . 0.0 110.984 -178.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.29 -18.83 41.31 Favored Glycine 0 C--N 1.35 1.334 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 -171.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.333 0.0 OUTLIER -49.94 -15.12 0.17 Allowed 'General case' 0 C--N 1.361 1.092 0 N-CA-C 120.336 3.458 . . . . 0.0 120.336 -178.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -106.12 11.47 31.35 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 128.085 2.554 . . . . 0.0 113.007 175.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.58 144.98 28.77 Favored Pre-proline 0 C--N 1.366 1.305 0 C-N-CA 125.509 1.523 . . . . 0.0 110.778 178.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.12 162.64 40.93 Favored 'Trans proline' 0 C--N 1.362 1.253 0 C-N-CA 125.2 3.933 . . . . 0.0 119.969 -163.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -70.22 140.05 87.72 Favored Pre-proline 0 C--N 1.362 1.15 1 C-N-CA 132.829 4.452 . . . . 0.0 116.379 -176.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -78.79 147.45 81.09 Favored 'Cis proline' 0 C--N 1.371 1.724 0 CA-C-N 120.989 1.389 . . . . 0.0 115.58 4.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.406 ' CB ' ' HB3' ' A' ' 30' ' ' GLN 0.26 16.7 p90 -166.72 168.87 13.96 Favored 'General case' 0 C--N 1.37 1.465 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -177.159 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.6 t -136.18 124.65 36.81 Favored 'Isoleucine or valine' 0 C--N 1.401 2.846 0 CA-C-O 123.225 1.488 . . . . 0.0 112.006 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.1 m -116.67 139.85 41.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 120.82 -1.175 . . . . 0.0 110.619 175.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.3 mm -75.51 140.41 17.42 Favored 'Isoleucine or valine' 0 C--N 1.375 1.699 0 C-N-CA 127.754 2.422 . . . . 0.0 109.191 169.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.51 -166.29 23.19 Favored Glycine 0 CA--C 1.488 -1.656 0 N-CA-C 108.565 -1.814 . . . . 0.0 108.565 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -145.69 121.21 10.38 Favored 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 105.844 -1.91 . . . . 0.0 105.844 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.6 161.51 29.46 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 126.058 1.743 . . . . 0.0 106.79 -177.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 t 96.66 -147.07 0.0 OUTLIER 'General case' 0 C--N 1.356 0.87 0 C-N-CA 129.801 3.24 . . . . 0.0 109.004 -178.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.6 p -166.03 177.55 6.96 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.262 1.425 . . . . 0.0 107.385 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.7 m -168.43 126.04 0.89 Allowed Pre-proline 0 C--N 1.355 0.811 0 N-CA-C 104.147 -2.538 . . . . 0.0 104.147 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -70.78 114.11 3.76 Favored 'Trans proline' 0 C--N 1.361 1.195 0 C-N-CA 124.455 3.436 . . . . 0.0 111.591 176.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -117.51 104.07 10.71 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 125.488 1.515 . . . . 0.0 107.974 -177.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -105.38 -60.02 1.68 Allowed 'General case' 0 C--N 1.351 0.632 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 175.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.6 p -142.58 -177.48 5.31 Favored 'General case' 0 C--N 1.351 0.635 0 N-CA-C 103.647 -2.723 . . . . 0.0 103.647 176.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -131.77 -171.68 2.68 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 174.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.3 m -156.18 133.0 10.4 Favored 'General case' 0 CA--C 1.506 -0.749 0 O-C-N 120.032 -1.668 . . . . 0.0 106.882 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . 0.271 36.2 m 71.77 -72.88 0.11 Allowed 'General case' 0 C--N 1.358 0.937 0 C-N-CA 127.958 2.503 . . . . 0.0 115.088 -179.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -160.72 146.04 14.52 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 105.704 -1.962 . . . . 0.0 105.704 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -114.06 52.74 0.63 Allowed Glycine 0 C--N 1.357 1.736 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 175.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.94 61.82 4.69 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 128.276 2.631 . . . . 0.0 116.833 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -140.57 149.81 42.85 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 124.039 1.876 . . . . 0.0 110.241 175.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -111.01 121.65 64.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 C-N-CA 129.58 3.152 . . . . 0.0 103.162 -177.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.4 p -111.15 126.52 54.93 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.784 1.634 . . . . 0.0 108.035 177.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.9 ptt? -142.48 142.56 32.31 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-N 120.825 1.648 . . . . 0.0 113.3 177.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.48 154.25 38.07 Favored 'General case' 0 C--N 1.367 1.344 0 CA-C-O 124.66 2.171 . . . . 0.0 108.438 174.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.62 141.01 39.14 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 102.355 -3.202 . . . . 0.0 102.355 171.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -113.45 124.61 52.82 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 102.32 -3.215 . . . . 0.0 102.32 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -124.71 112.96 34.01 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.143 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 -168.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.99 130.26 35.47 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 117.143 -1.823 . . . . 0.0 110.981 -174.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -122.72 60.01 0.58 Allowed Glycine 0 C--N 1.369 2.382 0 N-CA-C 115.566 0.986 . . . . 0.0 115.566 -170.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -75.25 90.89 0.82 Allowed Glycine 0 C--N 1.355 1.638 0 C-N-CA 126.199 1.856 . . . . 0.0 113.309 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.6 m -169.31 -45.57 0.02 OUTLIER 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.9 m -160.42 151.16 18.64 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 102.821 -3.029 . . . . 0.0 102.821 175.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.61 HH12 ' H ' ' A' ' 115' ' ' ASP . 4.2 tmm_? -62.38 -35.68 79.93 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.689 1.996 . . . . 0.0 115.545 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.75 -35.67 76.98 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 128.965 2.906 . . . . 0.0 115.127 174.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -62.09 -33.5 74.56 Favored 'General case' 0 C--N 1.369 1.438 0 C-N-CA 127.428 2.291 . . . . 0.0 114.207 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.11 -34.73 78.72 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 129.295 3.038 . . . . 0.0 114.31 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -77.7 -38.45 47.37 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 127.519 2.327 . . . . 0.0 111.421 175.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -66.69 -46.37 75.82 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 126.589 1.956 . . . . 0.0 111.882 172.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 23.9 pt -70.34 -39.27 76.39 Favored 'Isoleucine or valine' 0 C--N 1.369 1.456 0 O-C-N 119.881 -1.762 . . . . 0.0 114.164 175.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.6 p -68.67 -49.91 55.28 Favored 'General case' 0 C--N 1.372 1.57 0 CA-C-N 120.937 1.698 . . . . 0.0 114.519 175.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.2 m -61.29 -46.81 88.77 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 127.043 2.137 . . . . 0.0 114.085 175.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . 0.251 10.1 mpt_? -74.66 -29.47 61.26 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 124.349 1.06 . . . . 0.0 112.574 176.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.375 1.5 p -68.58 -44.88 82.46 Favored 'Isoleucine or valine' 0 C--N 1.385 2.113 0 CA-C-N 121.738 2.063 . . . . 0.0 113.813 173.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.7 mp -66.79 -37.96 85.59 Favored 'General case' 0 C--N 1.379 1.869 0 O-C-N 119.116 -2.24 . . . . 0.0 112.455 174.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -61.65 -34.78 76.3 Favored 'General case' 0 C--N 1.378 1.812 0 CA-C-O 116.674 -1.631 . . . . 0.0 112.715 171.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.77 -46.03 73.21 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 127.826 2.45 . . . . 0.0 113.483 171.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 mp -48.4 -48.01 37.3 Favored 'General case' 0 C--N 1.39 2.348 0 C-N-CA 128.305 2.642 . . . . 0.0 114.018 176.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.789 0.2 OUTLIER -106.07 11.61 31.28 Favored 'General case' 0 C--N 1.368 1.397 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 174.243 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -44.15 21.79 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 119.666 -1.897 . . . . 0.0 108.197 174.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.15 107.32 47.84 Favored Pre-proline 0 C--N 1.356 0.872 0 N-CA-C 100.207 -3.998 . . . . 0.0 100.207 175.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.7 163.39 35.89 Favored 'Trans proline' 0 C--N 1.37 1.688 1 C-N-CA 125.565 4.177 . . . . 0.0 114.537 -166.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.1 mt -80.58 106.87 12.91 Favored 'General case' 0 C--N 1.37 1.49 0 CA-C-O 124.277 1.989 . . . . 0.0 114.744 -170.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 47.2 ttm -145.32 143.06 29.96 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 111.643 -2.526 . . . . 0.0 109.642 -179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -134.84 110.06 8.93 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 172.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 60.72 34.22 19.99 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 130.547 3.539 . . . . 0.0 115.972 173.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 94.24 -6.82 72.24 Favored Glycine 0 C--N 1.351 1.387 0 C-N-CA 125.885 1.707 . . . . 0.0 112.858 -173.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -95.68 124.14 39.56 Favored 'General case' 0 C--N 1.366 1.311 0 CA-C-N 119.572 1.686 . . . . 0.0 108.555 -177.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.6 p -95.42 148.75 22.14 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 127.867 2.467 . . . . 0.0 112.04 -175.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.531 ' CD1' HD21 ' A' ' 10' ' ' LEU 0.252 0.1 OUTLIER -136.12 146.72 47.26 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 178.246 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -106.93 121.88 60.29 Favored 'Isoleucine or valine' 0 C--N 1.358 0.961 0 C-N-CA 124.964 1.305 . . . . 0.0 111.013 -173.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.33 129.36 34.45 Favored 'General case' 0 C--N 1.372 1.562 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -176.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -137.11 94.95 3.01 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.043 1.337 . . . . 0.0 108.3 -173.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -143.88 136.46 27.05 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.65 -1.281 . . . . 0.0 109.588 -177.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 71.3 mt -125.74 119.79 28.91 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 176.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.2 p -157.61 160.2 2.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 N-CA-C 105.094 -2.187 . . . . 0.0 105.094 -176.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.0 mt -117.4 94.73 4.67 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 125.855 1.662 . . . . 0.0 106.879 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.66 97.16 8.38 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 126.045 1.738 . . . . 0.0 113.078 -176.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -100.12 142.24 31.87 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 126.098 1.759 . . . . 0.0 111.187 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.1 p -124.78 139.45 50.93 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 N-CA-C 103.34 -2.837 . . . . 0.0 103.34 175.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.4 mt -110.14 137.88 40.44 Favored 'Isoleucine or valine' 0 C--N 1.36 1.039 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 86.4 m -95.88 111.31 23.33 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 128.585 2.754 . . . . 0.0 107.163 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.61 ' H ' HH12 ' A' ' 76' ' ' ARG . 46.5 m-20 -112.2 119.72 39.32 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.5 m -46.81 -29.61 2.04 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 131.111 3.764 . . . . 0.0 117.911 -174.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -90.15 -7.27 54.09 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 127.074 2.149 . . . . 0.0 114.298 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.33 46.75 4.88 Favored Glycine 0 C--N 1.367 2.282 0 CA-C-N 120.294 1.406 . . . . 0.0 116.316 176.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 16.5 t -73.97 120.19 22.61 Favored 'Isoleucine or valine' 0 C--N 1.362 1.132 0 C-N-CA 126.892 2.077 . . . . 0.0 112.268 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 19.6 m -53.88 119.3 4.82 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 130.381 3.473 . . . . 0.0 117.349 -175.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -93.89 139.47 30.86 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 124.514 1.126 . . . . 0.0 111.676 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -135.09 148.18 49.76 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 128.803 2.841 . . . . 0.0 105.071 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.81 141.63 12.97 Favored Glycine 0 C--N 1.357 1.703 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 176.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.55 114.35 46.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 1 N-CA-C 100.074 -4.047 . . . . 0.0 100.074 166.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.5 mt -118.51 122.04 68.53 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 C-N-CA 124.104 0.962 . . . . 0.0 108.968 -172.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -114.78 140.02 49.25 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 124.75 1.22 . . . . 0.0 107.759 175.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.2 t -133.01 156.58 42.38 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 N-CA-C 103.921 -2.622 . . . . 0.0 103.921 169.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . 0.415 42.1 ptt85 -135.11 141.02 45.91 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 125.53 1.532 . . . . 0.0 114.19 173.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.23 139.27 54.08 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 125.426 1.49 . . . . 0.0 108.353 -172.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 54.5 m -115.61 128.98 56.33 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 122.547 1.165 . . . . 0.0 109.439 -177.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.5 pt -117.18 143.78 26.66 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 N-CA-C 104.597 -2.371 . . . . 0.0 104.597 174.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -147.21 174.87 11.2 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -90.36 -29.05 18.3 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 127.918 2.487 . . . . 0.0 111.523 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 73.54 23.54 2.43 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 129.28 3.032 . . . . 0.0 114.9 177.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 2.8 p -101.49 154.69 18.61 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 128.177 2.591 . . . . 0.0 112.664 -176.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.467 0 N-CA-C 106.216 -2.753 . . . . 0.0 106.216 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.443 -0.811 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -128.54 7.6 6.59 Favored Glycine 0 C--N 1.356 1.648 0 C-N-CA 126.494 1.997 . . . . 0.0 114.464 -175.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 25.0 tp -98.57 -40.67 8.11 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.005 1.322 . . . . 0.0 109.956 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . 0.263 96.2 mm-40 69.64 -97.09 0.03 OUTLIER 'General case' 0 C--N 1.362 1.145 0 C-N-CA 128.042 2.537 . . . . 0.0 114.815 177.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.9 p -128.55 104.9 7.94 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 126.401 1.88 . . . . 0.0 108.734 -178.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 13.4 p90 -89.04 -5.99 57.48 Favored 'General case' 0 C--N 1.369 1.418 0 C-N-CA 126.07 1.748 . . . . 0.0 115.32 -176.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 84.83 56.46 0.01 OUTLIER 'General case' 0 C--N 1.366 1.295 0 C-N-CA 129.366 3.067 . . . . 0.0 106.15 -172.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -56.01 -50.87 69.67 Favored 'General case' 0 C--N 1.37 1.458 0 N-CA-C 119.995 3.331 . . . . 0.0 119.995 -161.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.49 -51.04 39.61 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 120.956 1.707 . . . . 0.0 112.455 173.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 1.3 p -55.41 -47.11 76.44 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 128.742 2.817 . . . . 0.0 118.067 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.729 6.9 ptp180 -75.42 -37.22 60.56 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 119.38 3.104 . . . . 0.0 119.38 167.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.299 . . -59.07 -22.44 60.78 Favored 'General case' 0 C--N 1.368 1.39 0 O-C-N 118.983 -2.323 . . . . 0.0 114.61 175.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.415 ' HB3' ' O ' ' A' ' 7' ' ' SER 0.361 0.9 OUTLIER -55.07 -40.89 70.84 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 130.354 3.462 . . . . 0.0 114.124 161.726 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.333 5.3 mm-40 -70.55 -37.83 74.09 Favored 'General case' 0 C--N 1.374 1.646 0 O-C-N 120.076 -1.64 . . . . 0.0 111.727 172.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.373 0.0 OUTLIER -66.39 -30.05 70.34 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 167.14 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.23 -35.49 68.88 Favored 'General case' 0 C--N 1.366 1.309 0 O-C-N 119.963 -1.71 . . . . 0.0 114.019 170.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 m -70.24 -39.27 75.15 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 127.975 2.51 . . . . 0.0 110.235 172.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.25 -31.4 53.48 Favored 'Isoleucine or valine' 0 C--N 1.37 1.484 0 O-C-N 120.05 -1.656 . . . . 0.0 112.814 169.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -70.78 -31.86 68.78 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 125.337 1.455 . . . . 0.0 113.033 171.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.467 ' HB2' ' HB3' ' A' ' 93' ' ' LYS 0.405 1.9 p30 -68.28 -37.97 81.21 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 124.559 1.143 . . . . 0.0 113.482 171.757 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -56.45 -51.71 67.39 Favored 'General case' 0 C--N 1.374 1.633 0 C-N-CA 126.295 1.838 . . . . 0.0 112.989 165.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.26 9.6 pt-20 -72.5 -15.39 61.79 Favored 'General case' 0 C--N 1.369 1.416 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 174.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.4 m -80.71 -31.03 36.28 Favored 'General case' 0 C--N 1.371 1.54 0 C-N-CA 125.213 1.405 . . . . 0.0 112.029 174.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -78.07 93.74 4.56 Favored 'General case' 0 C--N 1.367 1.362 0 CA-C-O 122.893 1.33 . . . . 0.0 111.976 177.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.346 3.9 pt20 -49.65 -37.91 27.98 Favored Pre-proline 0 C--N 1.365 1.26 0 N-CA-C 119.091 2.997 . . . . 0.0 119.091 -178.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.48 -20.31 65.89 Favored 'Trans proline' 0 C--N 1.363 1.306 0 CA-C-N 125.358 2.949 . . . . 0.0 115.096 169.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.404 2.4 pp -87.31 -15.44 38.0 Favored 'General case' 0 C--N 1.382 2.0 0 CA-C-N 123.872 3.033 . . . . 0.0 112.514 176.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 98.5 mmm -64.98 -27.82 69.09 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 126.483 1.913 . . . . 0.0 115.38 176.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -90.7 -9.16 47.8 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 125.367 1.467 . . . . 0.0 112.292 172.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -102.12 -23.35 14.07 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 126.41 1.884 . . . . 0.0 113.364 177.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 m -125.82 145.88 32.52 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 N-CA-C 104.636 -2.357 . . . . 0.0 104.636 176.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -102.46 -42.07 6.09 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 124.867 2.27 . . . . 0.0 110.747 167.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.574 3.1 mp0 -98.06 39.42 1.23 Allowed 'General case' 0 N--CA 1.439 -1.024 1 C-N-CA 137.183 6.193 . . . . 0.0 118.103 -166.816 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -86.15 111.49 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 O-C-N 119.171 -2.205 . . . . 0.0 107.805 176.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.9 t -142.3 167.72 21.44 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 123.908 1.813 . . . . 0.0 112.529 -166.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -78.59 -102.13 0.02 OUTLIER 'General case' 0 C--N 1.361 1.075 0 C-N-CA 128.232 2.613 . . . . 0.0 109.982 174.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 t -93.71 -53.53 0.25 Allowed Pre-proline 0 C--N 1.36 1.046 0 CA-C-O 115.238 -2.315 . . . . 0.0 114.975 178.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -72.95 137.45 26.75 Favored 'Trans proline' 0 C--N 1.363 1.308 0 CA-C-N 126.571 3.382 . . . . 0.0 113.676 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.71 18.36 7.01 Favored Glycine 0 C--N 1.359 1.82 0 C-N-CA 124.27 0.938 . . . . 0.0 114.3 175.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.33 0.0 OUTLIER -74.69 -15.46 60.79 Favored 'General case' 0 C--N 1.362 1.123 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -177.078 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -107.11 15.9 24.71 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 130.585 3.554 . . . . 0.0 113.239 174.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -92.93 170.9 8.1 Favored Pre-proline 0 C--N 1.366 1.283 0 C-N-CA 125.624 1.57 . . . . 0.0 111.566 -176.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -57.41 143.8 93.25 Favored 'Trans proline' 0 C--N 1.366 1.494 0 C-N-CA 124.902 3.735 . . . . 0.0 119.617 -172.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -91.95 135.77 26.92 Favored Pre-proline 0 N--CA 1.45 -0.428 0 C-N-CA 128.329 2.652 . . . . 0.0 109.784 -175.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -78.22 151.49 90.16 Favored 'Cis proline' 0 CA--C 1.539 0.773 0 CA-C-N 123.315 2.22 . . . . 0.0 115.071 1.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -175.48 166.99 3.3 Favored 'General case' 0 CA--C 1.56 1.344 0 O-C-N 121.384 -0.823 . . . . 0.0 112.659 -174.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 51.6 t -138.15 136.91 44.68 Favored 'Isoleucine or valine' 0 C--N 1.393 2.468 0 O-C-N 121.242 -0.911 . . . . 0.0 113.01 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.2 m -113.03 153.25 14.64 Favored 'Isoleucine or valine' 0 C--N 1.368 1.396 0 O-C-N 120.221 -1.55 . . . . 0.0 111.107 167.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 21.1 mm -85.23 138.76 18.52 Favored 'Isoleucine or valine' 0 C--N 1.368 1.381 0 C-N-CA 125.538 1.535 . . . . 0.0 110.802 169.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -146.51 -164.67 11.12 Favored Glycine 0 C--N 1.356 1.66 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 176.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -145.69 121.47 10.56 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.95 139.08 50.11 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 126.349 1.86 . . . . 0.0 109.203 -173.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.9 p -107.4 97.37 7.13 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 125.817 1.647 . . . . 0.0 111.725 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.0 m -69.02 53.54 0.09 Allowed 'General case' 0 C--N 1.368 1.385 0 N-CA-C 118.009 2.596 . . . . 0.0 118.009 -175.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.331 29.2 p 71.77 67.61 0.35 Allowed Pre-proline 0 C--N 1.358 0.958 0 C-N-CA 128.703 2.801 . . . . 0.0 114.751 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -83.01 114.3 2.24 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 123.727 2.951 . . . . 0.0 113.333 -175.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -116.83 134.46 54.75 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 125.907 1.683 . . . . 0.0 108.076 176.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -51.09 84.93 0.0 OUTLIER 'General case' 0 C--N 1.368 1.381 0 C-N-CA 130.127 3.371 . . . . 0.0 116.563 -176.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.3 m -123.37 113.37 18.74 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 127.654 2.382 . . . . 0.0 105.226 -175.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -131.49 96.85 4.08 Favored 'General case' 0 C--N 1.348 0.542 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -176.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.5 p -113.1 -37.09 4.87 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 125.955 1.702 . . . . 0.0 110.725 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.8 p -166.05 -171.45 2.01 Favored 'General case' 0 N--CA 1.442 -0.825 0 N-CA-C 102.93 -2.989 . . . . 0.0 102.93 -176.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -139.74 174.17 10.79 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 125.45 1.5 . . . . 0.0 107.641 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -154.51 176.97 32.12 Favored Glycine 0 C--N 1.361 1.965 0 N-CA-C 108.048 -2.021 . . . . 0.0 108.048 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -118.73 94.96 4.64 Favored 'General case' 0 C--N 1.363 1.152 0 CA-C-N 118.728 1.264 . . . . 0.0 109.957 -175.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -132.68 160.0 37.99 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 124.185 1.945 . . . . 0.0 115.403 -172.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -107.67 122.19 61.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 1 C-N-CA 133.253 4.621 . . . . 0.0 103.175 178.402 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.9 p -115.09 116.71 28.86 Favored 'General case' 0 C--N 1.368 1.37 0 CA-C-N 121.27 1.85 . . . . 0.0 106.596 170.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . 0.268 3.5 ttt -155.2 161.33 41.22 Favored 'General case' 0 C--N 1.372 1.55 0 CA-C-N 121.468 1.94 . . . . 0.0 114.147 178.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.508 ' OD1' ' CD2' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -131.9 164.4 26.2 Favored 'General case' 0 C--N 1.369 1.415 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -175.127 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.451 ' CZ ' HD13 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -127.55 137.8 52.71 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 103.378 -2.823 . . . . 0.0 103.378 166.869 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.508 ' CD2' ' OD1' ' A' ' 67' ' ' ASP . 33.8 m-70 -112.66 119.09 36.89 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 103.201 -2.889 . . . . 0.0 103.201 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 p -115.15 131.04 68.6 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.075 0 C-N-CA 124.396 1.078 . . . . 0.0 108.647 -174.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -132.39 135.62 46.25 Favored 'General case' 0 C--N 1.36 1.065 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 173.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.73 31.8 4.04 Favored Glycine 0 C--N 1.371 2.523 0 C-N-CA 124.759 1.171 . . . . 0.0 113.596 -176.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.9 70.38 0.01 OUTLIER Glycine 0 C--N 1.356 1.672 0 C-N-CA 129.658 3.504 . . . . 0.0 119.801 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.89 -78.63 0.25 Allowed 'General case' 0 CA--C 1.502 -0.888 0 N-CA-C 104.446 -2.427 . . . . 0.0 104.446 -176.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.5 p -118.83 170.04 9.34 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 126.462 1.905 . . . . 0.0 107.587 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.528 ' HD3' ' H ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -66.6 -45.69 78.35 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 128.829 2.852 . . . . 0.0 113.741 175.217 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.63 -35.47 80.26 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 131.178 3.791 . . . . 0.0 114.918 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -58.97 -33.33 70.53 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 126.357 1.863 . . . . 0.0 115.034 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.74 -45.79 73.96 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 128.661 2.784 . . . . 0.0 115.022 175.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -74.35 -31.06 62.27 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 125.187 1.395 . . . . 0.0 111.368 176.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -67.46 -51.6 49.53 Favored 'General case' 0 C--N 1.374 1.633 0 C-N-CA 124.878 1.271 . . . . 0.0 113.077 168.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.286 10.8 pt -64.66 -39.69 86.49 Favored 'Isoleucine or valine' 0 C--N 1.381 1.945 0 CA-C-N 120.897 1.68 . . . . 0.0 114.154 176.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.5 m -68.11 -49.47 60.95 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 125.745 1.618 . . . . 0.0 113.983 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . 0.289 83.0 p -63.17 -40.38 97.38 Favored 'General case' 0 C--N 1.37 1.499 0 O-C-N 119.382 -2.073 . . . . 0.0 113.776 175.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 86.6 mmt-85 -69.13 -33.1 72.91 Favored 'General case' 0 C--N 1.371 1.502 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 171.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.312 0.3 OUTLIER -67.97 -46.14 82.41 Favored 'Isoleucine or valine' 0 C--N 1.384 2.098 0 C-N-CA 125.817 1.647 . . . . 0.0 113.529 175.682 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.6 -38.89 84.64 Favored 'General case' 0 C--N 1.379 1.881 0 O-C-N 119.839 -1.788 . . . . 0.0 112.532 175.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -59.45 -41.7 90.29 Favored 'General case' 0 C--N 1.38 1.892 0 C-N-CA 126.372 1.869 . . . . 0.0 111.856 172.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.59 -45.34 79.55 Favored 'General case' 0 C--N 1.376 1.743 0 C-N-CA 126.229 1.812 . . . . 0.0 114.348 173.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.451 HD13 ' CZ ' ' A' ' 68' ' ' PHE . 1.5 mp -45.76 -49.8 14.56 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 130.979 3.711 . . . . 0.0 115.113 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.636 0.2 OUTLIER -105.64 11.09 32.65 Favored 'General case' 0 C--N 1.367 1.367 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 169.733 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -45.9 29.85 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 119.02 -2.3 . . . . 0.0 109.687 176.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.467 ' HB3' ' HB2' ' A' ' 17' ' ' ASN 0.286 0.5 OUTLIER -119.93 99.57 48.94 Favored Pre-proline 0 C--N 1.354 0.785 0 N-CA-C 104.837 -2.283 . . . . 0.0 104.837 -179.268 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -55.15 163.16 4.74 Favored 'Trans proline' 0 C--N 1.389 2.665 1 C-N-CA 127.193 5.262 . . . . 0.0 120.131 -164.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.5 mt -87.18 107.01 18.28 Favored 'General case' 0 C--N 1.367 1.347 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -171.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 19.5 ttt -144.79 142.19 29.79 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 113.464 -1.698 . . . . 0.0 111.078 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -133.53 107.16 7.84 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.645 1.978 . . . . 0.0 105.745 170.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 65.43 -71.45 0.08 Allowed 'General case' 0 C--N 1.348 0.54 1 C-N-CA 132.601 4.361 . . . . 0.0 117.387 169.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -139.94 16.81 3.01 Favored Glycine 0 CA--C 1.493 -1.296 0 N-CA-C 107.276 -2.329 . . . . 0.0 107.276 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -122.61 124.65 43.97 Favored 'General case' 0 C--N 1.363 1.17 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.6 m -116.35 131.96 56.8 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 127.771 2.428 . . . . 0.0 105.016 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.401 ' CZ ' ' HB2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -132.67 142.65 49.18 Favored 'General case' 0 C--N 1.362 1.121 0 CA-C-O 122.485 1.136 . . . . 0.0 111.829 -171.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.8 t -106.88 131.66 56.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 C-N-CA 124.849 1.26 . . . . 0.0 111.009 -175.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.62 111.22 16.84 Favored 'General case' 0 C--N 1.369 1.437 0 CA-C-O 122.671 1.224 . . . . 0.0 110.698 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -141.86 107.86 5.18 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 126.364 1.866 . . . . 0.0 106.002 -172.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . 0.289 6.8 tmtm? 103.6 124.76 0.01 OUTLIER 'General case' 0 C--N 1.358 0.966 0 C-N-CA 129.87 3.268 . . . . 0.0 110.752 -178.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.6 tp -160.3 156.43 26.35 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 101.644 -3.465 . . . . 0.0 101.644 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 77.4 t -120.09 145.51 26.28 Favored 'Isoleucine or valine' 0 C--N 1.356 0.879 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 176.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 46.6 tp -101.11 93.76 5.63 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 125.055 1.342 . . . . 0.0 110.116 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -88.39 -47.79 8.11 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 124.853 1.261 . . . . 0.0 111.754 177.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . 0.479 0.9 OUTLIER 66.45 140.67 0.03 OUTLIER 'General case' 0 C--N 1.359 1.002 0 C-N-CA 130.599 3.56 . . . . 0.0 117.404 179.748 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 13.2 p -128.11 133.45 67.07 Favored 'Isoleucine or valine' 0 C--N 1.349 0.55 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 177.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 41.4 mm -110.81 147.84 14.62 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 C-N-CA 125.4 1.48 . . . . 0.0 107.506 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 24.5 m -71.4 130.38 41.18 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 127.529 2.332 . . . . 0.0 112.558 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -108.9 132.93 53.58 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 127.389 2.276 . . . . 0.0 107.105 178.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.9 p -72.14 -19.93 61.7 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 130.234 3.414 . . . . 0.0 118.567 -176.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -77.62 -3.13 39.35 Favored 'General case' 0 C--N 1.357 0.923 0 N-CA-C 120.893 3.664 . . . . 0.0 120.893 -169.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.49 33.64 11.33 Favored Glycine 0 C--N 1.365 2.149 0 CA-C-N 121.034 1.743 . . . . 0.0 115.411 177.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 13.5 p -85.42 149.54 4.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 C-N-CA 128.37 2.668 . . . . 0.0 113.004 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 6.9 t -70.88 120.34 16.33 Favored 'General case' 0 C--N 1.377 1.789 0 C-N-CA 125.712 1.605 . . . . 0.0 109.075 171.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -99.94 122.59 43.09 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.919 1.288 . . . . 0.0 112.551 -171.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -116.63 129.79 56.36 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 126.377 1.871 . . . . 0.0 110.895 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.6 142.4 13.8 Favored Glycine 0 C--N 1.362 2.007 0 N-CA-C 107.447 -2.261 . . . . 0.0 107.447 170.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -117.96 119.46 61.54 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 N-CA-C 101.36 -3.57 . . . . 0.0 101.36 173.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 44.5 mt -115.93 112.78 41.08 Favored 'Isoleucine or valine' 0 C--N 1.362 1.132 0 N-CA-C 105.892 -1.892 . . . . 0.0 105.892 -175.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -118.92 139.13 52.16 Favored 'General case' 0 CA--C 1.495 -1.144 0 O-C-N 120.366 -1.459 . . . . 0.0 107.212 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 4.7 t -130.95 147.8 33.07 Favored 'Isoleucine or valine' 0 C--O 1.248 1.01 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 174.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -111.11 135.82 51.06 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 126.132 1.773 . . . . 0.0 106.319 172.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -130.63 142.68 50.45 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 106.252 -1.759 . . . . 0.0 106.252 -176.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 48.5 m -130.83 142.99 50.42 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 121.228 -0.92 . . . . 0.0 110.082 -172.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 12.8 pt -129.54 142.05 44.93 Favored 'Isoleucine or valine' 0 C--N 1.364 1.212 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 177.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 73.39 96.71 0.07 Allowed 'General case' 0 C--N 1.367 1.348 0 N-CA-C 118.237 2.68 . . . . 0.0 118.237 176.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -161.1 -178.93 7.09 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 104.251 -2.5 . . . . 0.0 104.251 174.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -75.4 0.29 17.44 Favored 'General case' 0 C--N 1.363 1.155 0 C-N-CA 130.083 3.353 . . . . 0.0 117.032 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 21.8 p -95.86 101.91 13.65 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 127.499 2.32 . . . . 0.0 110.457 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.58 0 N-CA-C 109.121 -1.592 . . . . 0.0 109.121 -178.593 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 . . . . . 0 N--CA 1.44 -0.927 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 171.93 179.6 42.99 Favored Glycine 0 C--N 1.348 1.219 0 N-CA-C 103.922 -3.671 . . . . 0.0 103.922 -178.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -135.95 54.52 1.9 Allowed 'General case' 0 C--N 1.35 0.611 0 CA-C-O 123.828 1.775 . . . . 0.0 107.338 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -158.4 155.8 29.29 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 -175.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 t -99.14 173.91 6.58 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 124.499 1.12 . . . . 0.0 110.003 177.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.3 p90 -104.35 145.13 30.69 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 126.547 1.939 . . . . 0.0 109.614 -177.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -71.36 -23.15 61.85 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 126.185 1.794 . . . . 0.0 113.698 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.8 mt -65.88 -22.87 66.55 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 130.895 3.678 . . . . 0.0 112.024 173.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.06 -34.14 76.94 Favored 'General case' 0 C--N 1.375 1.689 0 C-N-CA 126.999 2.12 . . . . 0.0 113.515 174.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . 0.297 52.8 p -57.49 -46.38 83.78 Favored 'General case' 0 C--N 1.373 1.62 0 C-N-CA 128.125 2.57 . . . . 0.0 113.148 175.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.483 9.2 ptm180 -72.41 -35.56 68.42 Favored 'General case' 0 C--N 1.356 0.879 1 C-N-CA 132.214 4.206 . . . . 0.0 115.477 166.151 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.56 -23.15 3.83 Favored 'General case' 0 CA--C 1.567 1.63 0 O-C-N 117.012 -3.555 . . . . 0.0 114.13 171.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -29.58 60.14 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 118.481 2.771 . . . . 0.0 118.481 158.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.16 -43.7 70.31 Favored 'General case' 0 C--N 1.378 1.845 0 C-N-CA 131.308 3.843 . . . . 0.0 110.182 168.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.383 0.0 OUTLIER -67.21 -30.04 69.86 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.054 -1.654 . . . . 0.0 113.701 168.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.67 -36.03 73.14 Favored 'General case' 0 C--N 1.362 1.143 0 C-N-CA 125.961 1.704 . . . . 0.0 113.077 170.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.334 0.7 OUTLIER -70.07 -36.65 75.1 Favored 'General case' 0 C--N 1.375 1.696 0 O-C-N 120.632 -1.292 . . . . 0.0 110.727 171.867 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.94 -31.28 53.03 Favored 'Isoleucine or valine' 0 C--N 1.371 1.506 0 O-C-N 120.088 -1.633 . . . . 0.0 113.797 172.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -70.94 -34.12 71.17 Favored 'General case' 0 C--N 1.367 1.36 0 C-N-CA 125.067 1.347 . . . . 0.0 113.127 171.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.457 ' HB2' ' HB3' ' A' ' 93' ' ' LYS 0.394 8.1 p30 -65.76 -36.94 84.97 Favored 'General case' 0 C--N 1.37 1.487 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 169.6 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.34 -42.15 98.22 Favored 'General case' 0 C--N 1.369 1.451 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 169.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.87 -15.91 57.74 Favored 'General case' 0 C--N 1.368 1.373 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 170.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.6 m -84.32 -24.95 29.59 Favored 'General case' 0 C--N 1.375 1.714 0 C-N-CA 125.28 1.432 . . . . 0.0 112.703 177.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -80.4 99.13 7.81 Favored 'General case' 0 C--N 1.361 1.09 0 O-C-N 120.603 -1.311 . . . . 0.0 111.199 177.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.357 6.2 pt20 -46.22 -40.83 19.52 Favored Pre-proline 0 C--N 1.366 1.301 0 N-CA-C 120.391 3.478 . . . . 0.0 120.391 -177.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -65.88 -22.56 55.99 Favored 'Trans proline' 0 C--N 1.362 1.262 0 C-N-CA 124.734 3.623 . . . . 0.0 115.752 167.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.5 -25.57 62.31 Favored 'General case' 0 C--N 1.377 1.769 0 CA-C-N 121.778 2.081 . . . . 0.0 114.222 -176.031 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 84.2 mmm -76.56 -26.92 55.62 Favored 'General case' 0 C--N 1.349 0.573 1 C-N-CA 131.921 4.088 . . . . 0.0 113.051 173.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -86.87 -39.77 15.51 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 127.036 2.134 . . . . 0.0 111.669 174.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.3 mmt -79.71 -32.83 41.29 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 127.223 2.209 . . . . 0.0 114.375 178.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 t -126.77 144.22 37.66 Favored 'Isoleucine or valine' 0 C--N 1.365 1.241 0 N-CA-C 101.827 -3.398 . . . . 0.0 101.827 173.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -102.92 -8.61 20.55 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 118.582 -2.574 . . . . 0.0 112.367 178.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.402 0.4 OUTLIER -136.69 39.99 2.59 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 110.213 -3.176 . . . . 0.0 113.833 -153.464 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p -89.07 109.37 20.15 Favored 'Isoleucine or valine' 0 C--N 1.37 1.476 0 O-C-N 119.87 -1.769 . . . . 0.0 107.376 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.6 t -145.95 169.01 19.48 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 124.281 1.991 . . . . 0.0 116.033 -167.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -131.03 73.19 1.53 Allowed 'General case' 0 C--N 1.355 0.807 0 C-N-CA 128.335 2.654 . . . . 0.0 104.821 176.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 96.8 p -167.14 -170.16 0.22 Allowed Pre-proline 0 C--N 1.351 0.647 0 N-CA-C 104.37 -2.455 . . . . 0.0 104.37 -172.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -71.28 157.97 55.71 Favored 'Trans proline' 0 CA--C 1.554 1.504 0 C-N-CA 123.511 2.807 . . . . 0.0 110.009 158.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 173.03 -47.09 0.16 Allowed Glycine 0 C--N 1.359 1.822 0 C-N-CA 119.395 -1.383 . . . . 0.0 110.495 -173.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.364 0.0 OUTLIER -48.28 -0.03 0.01 OUTLIER 'General case' 0 C--N 1.36 1.025 2 C-N-CA 132.856 4.463 . . . . 0.0 122.09 -173.254 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -106.61 11.22 30.71 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 128.596 2.758 . . . . 0.0 110.768 173.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -87.68 165.49 29.83 Favored Pre-proline 0 C--N 1.363 1.194 0 O-C-N 119.962 -1.711 . . . . 0.0 111.88 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.19 135.62 17.15 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 124.628 3.552 . . . . 0.0 112.521 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.422 ' CD1' ' HB2' ' A' ' 71' ' ' TRP . 33.7 m-85 -69.36 156.88 90.78 Favored Pre-proline 0 C--N 1.362 1.135 0 C-N-CA 130.866 3.667 . . . . 0.0 117.136 -173.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -83.78 147.95 57.02 Favored 'Cis proline' 0 C--N 1.361 1.21 0 CA-C-N 123.172 2.169 . . . . 0.0 114.205 0.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . 0.48 15.7 p90 -179.54 169.36 1.39 Allowed 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 125.63 1.572 . . . . 0.0 114.08 -178.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.4 t -138.46 145.47 28.17 Favored 'Isoleucine or valine' 0 C--N 1.411 3.276 0 N-CA-C 116.893 2.183 . . . . 0.0 116.893 -175.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.5 m -125.25 163.77 25.5 Favored 'Isoleucine or valine' 0 C--N 1.376 1.744 0 O-C-N 119.85 -1.781 . . . . 0.0 112.166 166.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.7 mm -87.97 140.44 15.8 Favored 'Isoleucine or valine' 0 C--N 1.377 1.771 0 C-N-CA 126.627 1.971 . . . . 0.0 105.977 166.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.78 -168.0 22.06 Favored Glycine 0 CA--C 1.49 -1.477 0 N-CA-C 108.419 -1.873 . . . . 0.0 108.419 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -146.33 132.19 19.09 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -99.11 149.12 23.36 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 125.724 1.609 . . . . 0.0 109.324 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.6 m 173.16 -167.72 0.03 OUTLIER 'General case' 0 C--N 1.361 1.079 0 N-CA-C 103.152 -2.907 . . . . 0.0 103.152 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . 0.308 14.6 p 136.75 -27.96 0.01 OUTLIER 'General case' 0 C--N 1.369 1.425 0 C-N-CA 129.784 3.233 . . . . 0.0 107.12 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.5 t -100.58 145.91 31.14 Favored Pre-proline 0 C--N 1.347 0.492 0 C-N-CA 128.766 2.826 . . . . 0.0 104.277 171.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -77.32 124.7 7.3 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.9 3.067 . . . . 0.0 111.513 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -136.35 136.75 39.94 Favored 'General case' 0 C--N 1.356 0.883 0 O-C-N 121.051 -1.03 . . . . 0.0 108.739 177.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -169.51 142.25 2.56 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 127.633 2.373 . . . . 0.0 105.796 174.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 p -122.89 111.03 16.16 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 125.012 1.325 . . . . 0.0 108.184 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -118.6 167.31 11.75 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 126.787 2.035 . . . . 0.0 107.562 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.6 t 78.95 27.26 0.43 Allowed 'General case' 0 C--N 1.365 1.242 0 C-N-CA 126.602 1.961 . . . . 0.0 114.155 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.2 t -149.66 170.02 19.66 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 103.672 -2.714 . . . . 0.0 103.672 177.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -82.53 50.55 1.67 Allowed 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.47 1.908 . . . . 0.0 111.859 176.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.69 65.22 4.07 Favored Glycine 0 C--N 1.361 1.941 0 C-N-CA 128.482 2.944 . . . . 0.0 115.265 -171.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -85.19 61.34 6.8 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 125.79 1.636 . . . . 0.0 111.445 176.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.51 154.51 24.64 Favored 'General case' 0 C--N 1.359 1.003 0 O-C-N 120.68 -1.263 . . . . 0.0 111.317 -176.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 mp -106.24 121.83 59.22 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 C-N-CA 129.954 3.302 . . . . 0.0 104.278 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.6 p -101.94 116.72 33.32 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 119.685 -1.885 . . . . 0.0 111.181 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.6 mmt -153.89 152.5 30.7 Favored 'General case' 0 C--N 1.364 1.237 0 CA-C-O 122.215 1.007 . . . . 0.0 111.919 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.12 163.64 23.37 Favored 'General case' 0 C--N 1.369 1.433 0 CA-C-O 124.166 1.936 . . . . 0.0 112.259 -172.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.282 0.0 OUTLIER -137.57 139.45 40.43 Favored 'General case' 0 C--O 1.244 0.778 0 N-CA-C 103.347 -2.835 . . . . 0.0 103.347 172.368 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -121.89 122.3 39.09 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 127.024 2.13 . . . . 0.0 108.245 -173.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.0 p -126.59 131.73 70.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 C-N-CA 124.727 1.211 . . . . 0.0 109.997 -173.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.422 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -135.12 129.5 33.99 Favored 'General case' 0 C--N 1.372 1.556 0 CA-C-O 121.493 0.663 . . . . 0.0 111.594 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -123.69 151.78 17.07 Favored Glycine 0 C--N 1.366 2.242 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 175.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 175.07 112.82 0.31 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 104.83 -3.308 . . . . 0.0 104.83 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.4 m 174.26 -61.78 0.01 OUTLIER 'General case' 0 C--N 1.354 0.78 0 N-CA-C 101.826 -3.398 . . . . 0.0 101.826 -175.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.1 p -130.81 152.32 50.28 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 101.007 -3.701 . . . . 0.0 101.007 171.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.467 ' HB2' ' HZ2' ' A' ' 121' ' ' LYS 0.266 13.3 ptm180 -66.34 -34.63 78.4 Favored 'General case' 0 C--N 1.362 1.139 0 CA-C-N 120.343 1.429 . . . . 0.0 114.674 177.882 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.91 -36.11 83.33 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 130.288 3.435 . . . . 0.0 114.71 176.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -57.04 -32.76 66.53 Favored 'General case' 0 C--N 1.379 1.89 0 C-N-CA 125.564 1.545 . . . . 0.0 114.819 174.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.96 -38.27 82.59 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 129.001 2.92 . . . . 0.0 114.21 173.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -76.81 -36.45 56.92 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 125.57 1.548 . . . . 0.0 111.226 174.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -61.81 -49.88 74.54 Favored 'General case' 0 C--N 1.373 1.594 0 C-N-CA 126.207 1.803 . . . . 0.0 112.357 172.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.303 17.1 pt -62.75 -37.35 78.86 Favored 'Isoleucine or valine' 0 C--N 1.371 1.533 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 174.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -68.03 -49.85 58.95 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 127.361 2.264 . . . . 0.0 112.549 173.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.1 t -58.36 -43.89 88.6 Favored 'General case' 0 C--N 1.371 1.507 0 C-N-CA 128.297 2.639 . . . . 0.0 113.241 171.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 -66.8 -36.95 83.57 Favored 'General case' 0 C--N 1.372 1.554 0 C-N-CA 126.353 1.861 . . . . 0.0 114.339 171.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.349 0.3 OUTLIER -66.92 -49.35 74.81 Favored 'Isoleucine or valine' 0 C--N 1.382 1.981 0 CA-C-N 121.013 1.733 . . . . 0.0 112.592 176.38 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.3 mp -63.14 -40.07 96.52 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 119.462 -2.024 . . . . 0.0 113.447 176.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.13 -38.07 89.7 Favored 'General case' 0 C--N 1.372 1.547 0 C-N-CA 125.976 1.71 . . . . 0.0 113.368 172.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.95 -43.45 65.21 Favored 'General case' 0 C--N 1.377 1.764 0 C-N-CA 126.744 2.018 . . . . 0.0 114.024 174.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.23 -50.27 39.3 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 130.635 3.574 . . . . 0.0 113.641 176.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.559 0.2 OUTLIER -102.3 10.24 39.33 Favored 'General case' 0 C--N 1.371 1.508 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 169.353 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -43.38 46.3 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 118.802 -2.436 . . . . 0.0 109.762 175.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 17' ' ' ASN 0.277 0.1 OUTLIER -125.54 94.2 43.17 Favored Pre-proline 0 C--N 1.35 0.593 0 N-CA-C 104.368 -2.456 . . . . 0.0 104.368 179.243 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -63.63 149.02 91.93 Favored 'Trans proline' 0 C--N 1.378 2.117 0 C-N-CA 125.078 3.852 . . . . 0.0 116.809 -168.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.76 107.64 3.1 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 127.396 2.278 . . . . 0.0 116.542 -173.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 44.6 ttm -144.04 143.22 31.08 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 125.856 1.662 . . . . 0.0 107.405 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -135.68 108.41 7.51 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 67.98 26.47 7.38 Favored 'General case' 0 C--N 1.362 1.114 0 C-N-CA 130.013 3.325 . . . . 0.0 114.962 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.4 -6.36 61.2 Favored Glycine 0 C--N 1.355 1.588 0 C-N-CA 125.818 1.675 . . . . 0.0 112.737 -173.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -94.56 128.3 41.09 Favored 'General case' 0 C--N 1.36 1.052 0 CA-C-N 118.882 1.341 . . . . 0.0 111.323 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.0 m -107.32 134.65 50.07 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 125.671 1.589 . . . . 0.0 112.839 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -140.72 121.7 14.59 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 102.186 -3.265 . . . . 0.0 102.186 -179.562 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.7 t -106.17 142.43 19.16 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 C-N-CA 124.999 1.32 . . . . 0.0 108.334 -169.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.84 131.26 35.37 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -173.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -114.08 104.3 12.0 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 126.425 1.89 . . . . 0.0 106.968 177.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -154.57 118.37 4.64 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 119.419 -2.051 . . . . 0.0 105.821 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 97.6 mt -139.86 49.81 1.76 Allowed 'General case' 0 C--N 1.362 1.118 0 O-C-N 121.102 -0.998 . . . . 0.0 109.899 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.5 t -118.76 -74.78 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.851 0 O-C-N 121.156 -0.965 . . . . 0.0 108.895 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.37 121.9 45.76 Favored 'General case' 0 C--N 1.36 1.057 0 CA-C-O 122.467 1.127 . . . . 0.0 112.159 -178.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -145.69 38.87 1.13 Allowed 'General case' 0 C--N 1.357 0.914 0 O-C-N 120.419 -1.426 . . . . 0.0 108.195 -178.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -162.09 164.69 27.92 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -177.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 62.1 t -108.6 139.73 29.94 Favored 'Isoleucine or valine' 0 C--N 1.349 0.545 0 C-N-CA 129.401 3.08 . . . . 0.0 106.914 178.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 34.9 mm -108.03 132.1 56.65 Favored 'Isoleucine or valine' 0 C--N 1.365 1.272 0 O-C-N 120.902 -1.124 . . . . 0.0 109.288 178.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 93.4 m -91.0 134.44 34.48 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 129.096 2.959 . . . . 0.0 108.908 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -112.05 140.92 46.33 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 124.519 1.128 . . . . 0.0 109.444 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.9 t -64.69 -20.6 66.4 Favored 'General case' 0 C--N 1.369 1.437 0 C-N-CA 127.608 2.363 . . . . 0.0 115.665 -178.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -90.39 -12.84 36.35 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 127.421 2.288 . . . . 0.0 113.697 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 86.44 47.22 4.98 Favored Glycine 0 C--N 1.369 2.369 0 O-C-N 121.004 -1.06 . . . . 0.0 114.876 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.7 t -90.56 144.93 8.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 C-N-CA 125.681 1.592 . . . . 0.0 111.576 -175.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 22.3 p -76.67 125.21 28.86 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 127.36 2.264 . . . . 0.0 111.318 177.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.467 ' HZ2' ' HB2' ' A' ' 76' ' ' ARG . 3.7 mppt? -92.76 130.03 38.5 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 126.496 1.918 . . . . 0.0 110.341 -175.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 -129.48 142.0 50.88 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 128.707 2.803 . . . . 0.0 104.024 -176.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.68 139.88 11.32 Favored Glycine 0 C--N 1.353 1.505 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -120.75 116.73 50.86 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 N-CA-C 102.643 -3.095 . . . . 0.0 102.643 172.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.2 mt -113.31 122.4 67.36 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 -178.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -117.8 126.53 52.6 Favored 'General case' 0 C--N 1.364 1.224 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 178.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.42 145.39 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 CA-C-O 122.825 1.298 . . . . 0.0 109.287 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -110.79 114.98 28.75 Favored 'General case' 0 C--N 1.364 1.204 0 N-CA-C 103.692 -2.707 . . . . 0.0 103.692 168.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -100.98 140.48 35.22 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.396 -1.44 . . . . 0.0 107.131 -176.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 21.2 m -113.09 136.17 53.0 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.817 1.247 . . . . 0.0 111.205 -171.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.2 pt -85.78 116.68 29.28 Favored 'Isoleucine or valine' 0 C--N 1.363 1.176 0 CA-C-O 122.369 1.08 . . . . 0.0 111.367 176.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -144.05 141.63 30.19 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 127.396 2.278 . . . . 0.0 106.908 -176.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -100.05 -173.42 2.43 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.467 1.507 . . . . 0.0 112.995 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -135.03 -160.09 1.02 Allowed 'General case' 0 C--N 1.355 0.815 0 C-N-CA 127.015 2.126 . . . . 0.0 105.412 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 10.9 m -84.43 89.49 7.41 Favored 'General case' 0 C--N 1.367 1.354 0 O-C-N 120.3 -1.5 . . . . 0.0 112.826 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.358 1.786 0 C-N-CA 124.866 1.222 . . . . 0.0 112.989 176.658 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 N--CA 1.444 -0.746 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 157.25 -74.61 0.22 Allowed Glycine 0 C--N 1.35 1.334 0 N-CA-C 108.407 -1.877 . . . . 0.0 108.407 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 52.7 mt -88.86 64.4 7.21 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 125.779 1.632 . . . . 0.0 111.137 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -86.5 142.71 28.16 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-O 123.74 1.733 . . . . 0.0 113.807 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.1 m -153.32 115.23 4.3 Favored 'General case' 0 C--N 1.349 0.575 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -110.44 1.45 18.32 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 127.702 2.401 . . . . 0.0 108.901 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.9 mttp 71.45 -61.31 0.49 Allowed 'General case' 0 C--N 1.367 1.349 0 C-N-CA 129.588 3.155 . . . . 0.0 112.775 -176.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.83 -24.35 60.88 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 130.616 3.567 . . . . 0.0 113.014 178.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.54 -34.82 77.86 Favored 'General case' 0 C--N 1.371 1.506 0 CA-C-N 120.724 1.602 . . . . 0.0 114.313 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.408 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 23.5 m -56.87 -46.78 81.61 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 127.532 2.333 . . . . 0.0 113.36 171.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.468 0.0 OUTLIER -74.24 -38.28 63.54 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 131.422 3.889 . . . . 0.0 116.155 170.568 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.02 -23.75 34.93 Favored 'General case' 0 C--N 1.366 1.315 0 O-C-N 117.326 -3.359 . . . . 0.0 113.62 173.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 102' ' ' PHE 0.272 1.6 tp -55.31 -40.37 71.05 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 127.398 2.279 . . . . 0.0 115.414 161.243 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -70.02 -39.17 75.98 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 126.489 1.916 . . . . 0.0 111.688 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.327 0.0 OUTLIER -68.01 -30.13 69.3 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 165.796 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.88 72.57 Favored 'General case' 0 C--N 1.364 1.2 0 O-C-N 119.775 -1.828 . . . . 0.0 112.799 172.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 m -69.93 -35.09 74.26 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 127.203 2.201 . . . . 0.0 111.19 175.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.42 -31.79 54.4 Favored 'Isoleucine or valine' 0 C--N 1.374 1.637 0 O-C-N 120.466 -1.396 . . . . 0.0 112.27 168.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -70.69 -29.78 66.18 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 124.74 1.216 . . . . 0.0 112.999 170.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.413 ' HB3' ' HB3' ' A' ' 93' ' ' LYS . 11.0 m-20 -65.45 -38.86 91.1 Favored 'General case' 0 C--N 1.372 1.544 0 O-C-N 118.921 -2.362 . . . . 0.0 111.67 169.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 mp -62.3 -35.86 80.34 Favored 'General case' 0 C--N 1.377 1.793 0 C-N-CA 127.131 2.173 . . . . 0.0 112.595 169.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -31.48 65.49 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 126.109 1.763 . . . . 0.0 113.455 170.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.1 t -76.08 -35.42 59.38 Favored 'General case' 0 C--N 1.374 1.656 0 C-N-CA 125.171 1.388 . . . . 0.0 114.202 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -75.45 95.27 3.24 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 123.022 1.392 . . . . 0.0 113.14 -177.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.354 1.2 pt20 -40.38 -45.59 5.26 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 130.47 3.508 . . . . 0.0 118.845 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.54 -19.82 65.3 Favored 'Trans proline' 0 CA--C 1.55 1.305 0 C-N-CA 125.16 3.907 . . . . 0.0 116.298 166.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.94 -32.5 59.59 Favored 'General case' 0 C--N 1.374 1.633 0 CA-C-N 122.029 2.195 . . . . 0.0 112.361 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.9 mmm -66.18 -28.21 68.59 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 129.574 3.15 . . . . 0.0 114.834 176.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -80.28 -18.33 49.64 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 126.924 2.089 . . . . 0.0 112.805 175.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 51.0 mtt -102.36 -45.69 5.02 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.731 2.012 . . . . 0.0 115.607 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.4 p -122.32 143.69 34.19 Favored 'Isoleucine or valine' 0 C--N 1.364 1.217 0 O-C-N 119.116 -2.24 . . . . 0.0 106.415 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -102.92 -26.31 13.15 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 125.679 2.657 . . . . 0.0 111.095 172.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.493 3.3 mp0 -97.34 40.71 1.14 Allowed 'General case' 0 N--CA 1.428 -1.572 1 C-N-CA 137.513 6.325 . . . . 0.0 114.138 -166.233 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.27 108.58 18.83 Favored 'Isoleucine or valine' 0 C--N 1.375 1.714 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 173.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.3 t -132.23 158.45 41.75 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.336 1.455 . . . . 0.0 113.577 -173.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -99.57 -9.92 22.67 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 126.133 1.773 . . . . 0.0 113.412 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.292 14.8 m -166.43 -79.89 0.0 OUTLIER Pre-proline 0 C--N 1.356 0.855 0 CA-C-O 114.765 -2.54 . . . . 0.0 110.011 178.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -72.82 138.32 28.6 Favored 'Trans proline' 0 C--N 1.366 1.472 0 C-N-CA 124.477 3.451 . . . . 0.0 112.599 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.1 28.57 2.82 Favored Glycine 0 C--N 1.363 2.068 0 O-C-N 120.311 -1.493 . . . . 0.0 111.22 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.326 0.0 OUTLIER -86.91 -26.07 24.1 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 127.442 2.297 . . . . 0.0 114.358 171.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 52.2 p30 -95.05 15.29 19.29 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 127.521 2.329 . . . . 0.0 116.094 -175.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -85.36 169.02 17.27 Favored Pre-proline 0 C--N 1.359 1.008 0 C-N-CA 124.138 0.975 . . . . 0.0 112.642 176.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -75.32 146.46 31.56 Favored 'Trans proline' 0 CA--C 1.551 1.346 0 C-N-CA 124.122 3.215 . . . . 0.0 113.866 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.429 ' CE1' ' HB2' ' A' ' 71' ' ' TRP . 76.7 m-85 -65.11 145.35 99.11 Favored Pre-proline 0 C--N 1.369 1.43 0 C-N-CA 130.315 3.446 . . . . 0.0 114.669 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -87.62 149.64 34.71 Favored 'Cis proline' 0 C--N 1.354 0.858 0 CA-C-N 123.074 2.134 . . . . 0.0 113.453 4.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -172.03 168.63 5.83 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 124.144 0.978 . . . . 0.0 113.435 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.9 t -133.89 124.15 46.38 Favored 'Isoleucine or valine' 0 C--N 1.398 2.705 0 CA-C-O 123.364 1.554 . . . . 0.0 114.02 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.7 m -112.76 145.98 18.06 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 O-C-N 120.43 -1.419 . . . . 0.0 110.717 175.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.2 mm -79.86 140.13 17.22 Favored 'Isoleucine or valine' 0 C--N 1.375 1.715 0 C-N-CA 126.02 1.728 . . . . 0.0 107.353 169.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -166.02 -178.83 39.15 Favored Glycine 0 CA--C 1.485 -1.803 0 N-CA-C 108.649 -1.78 . . . . 0.0 108.649 -176.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -145.05 120.68 10.45 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -176.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -95.45 127.63 41.65 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 127.064 2.146 . . . . 0.0 107.839 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.3 m -177.28 171.77 1.97 Allowed 'General case' 0 C--N 1.353 0.736 0 N-CA-C 105.325 -2.102 . . . . 0.0 105.325 -179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.8 m -178.74 -35.34 0.01 OUTLIER 'General case' 0 C--N 1.362 1.119 0 C-N-CA 124.953 1.301 . . . . 0.0 109.203 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.7 m -95.42 -56.69 0.21 Allowed Pre-proline 0 C--N 1.36 1.048 0 CA-C-O 115.585 -2.15 . . . . 0.0 114.151 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -79.8 150.34 21.14 Favored 'Trans proline' 0 C--N 1.359 1.104 0 CA-C-N 126.77 3.454 . . . . 0.0 115.22 -171.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -135.95 150.79 49.41 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 105.078 -2.193 . . . . 0.0 105.078 176.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -83.53 54.24 2.78 Favored 'General case' 0 C--N 1.364 1.238 0 CA-C-O 123.878 1.799 . . . . 0.0 113.382 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 85.6 m -158.93 126.13 4.83 Favored 'General case' 0 CA--C 1.497 -1.089 0 N-CA-C 100.322 -3.955 . . . . 0.0 100.322 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt 80.63 45.35 0.04 OUTLIER 'General case' 0 C--N 1.361 1.093 0 C-N-CA 127.46 2.304 . . . . 0.0 111.437 -173.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.5 t -162.61 179.96 7.34 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 125.756 1.622 . . . . 0.0 106.917 -178.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 m -68.13 55.98 0.07 Allowed 'General case' 0 C--N 1.358 0.94 0 C-N-CA 131.083 3.753 . . . . 0.0 118.65 -171.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.4 t80 71.49 -50.19 0.69 Allowed 'General case' 0 C--N 1.357 0.896 0 C-N-CA 128.293 2.637 . . . . 0.0 115.078 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.5 52.62 1.81 Allowed Glycine 0 C--N 1.352 1.467 0 C-N-CA 125.127 1.346 . . . . 0.0 113.226 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -117.11 81.72 1.69 Allowed 'General case' 0 C--N 1.357 0.93 0 C-N-CA 125.347 1.459 . . . . 0.0 107.116 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -161.88 166.47 26.21 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 102.532 -3.136 . . . . 0.0 102.532 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -115.86 122.12 68.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 N-CA-C 101.111 -3.663 . . . . 0.0 101.111 176.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.5 p -129.06 117.0 20.16 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 177.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 28.5 tpp -154.03 156.37 37.24 Favored 'General case' 0 C--N 1.369 1.445 0 CA-C-O 122.513 1.149 . . . . 0.0 112.72 -175.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.94 163.86 28.59 Favored 'General case' 0 C--N 1.364 1.22 0 CA-C-O 125.265 2.46 . . . . 0.0 112.987 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.402 ' CE1' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -130.26 139.42 50.76 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 101.492 -3.521 . . . . 0.0 101.492 173.415 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -112.59 118.43 35.07 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 101.404 -3.554 . . . . 0.0 101.404 -176.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.445 HG22 HG12 ' A' ' 86' ' ' VAL . 67.4 t -123.11 111.79 31.1 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.519 0 N-CA-C 103.731 -2.692 . . . . 0.0 103.731 -165.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.429 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -129.75 138.8 51.28 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 116.463 -2.095 . . . . 0.0 110.801 -174.86 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.1 150.73 17.27 Favored Glycine 0 C--N 1.359 1.841 0 N-CA-C 106.481 -2.648 . . . . 0.0 106.481 171.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -134.21 31.88 2.73 Favored Glycine 0 C--N 1.351 1.373 0 N-CA-C 107.306 -2.317 . . . . 0.0 107.306 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.1 m -106.05 -53.68 2.6 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 126.72 2.008 . . . . 0.0 113.048 -169.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.3 m -164.11 154.16 14.7 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 105.225 -2.139 . . . . 0.0 105.225 -176.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -52.46 -46.2 66.38 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 130.866 3.666 . . . . 0.0 115.799 175.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.47 -36.28 65.81 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 129.726 3.21 . . . . 0.0 113.903 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -68.04 -36.33 79.72 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 127.068 2.147 . . . . 0.0 113.027 177.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.424 ' CB ' ' H ' ' A' ' 121' ' ' LYS . . . -68.53 -36.38 78.77 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 128.456 2.702 . . . . 0.0 114.406 174.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -77.72 -32.64 53.0 Favored 'General case' 0 C--N 1.366 1.311 0 O-C-N 120.549 -1.344 . . . . 0.0 112.363 171.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -62.5 -45.17 94.24 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 127.839 2.456 . . . . 0.0 112.328 172.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.445 ' HA ' ' HG3' ' A' ' 85' ' ' ARG 0.285 19.5 pt -65.36 -39.66 86.0 Favored 'Isoleucine or valine' 0 C--N 1.38 1.917 0 CA-C-N 119.78 1.173 . . . . 0.0 113.689 172.293 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.0 t -62.49 -49.62 74.67 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 127.127 2.171 . . . . 0.0 112.945 174.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 t -65.85 -42.14 90.84 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 128.961 2.904 . . . . 0.0 113.912 173.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.445 ' HG3' ' HA ' ' A' ' 82' ' ' ILE 0.467 0.0 OUTLIER -70.76 -29.39 65.61 Favored 'General case' 0 C--N 1.379 1.888 0 C-N-CA 125.69 1.596 . . . . 0.0 115.215 174.318 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.445 HG12 HG22 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -69.25 -49.18 63.5 Favored 'Isoleucine or valine' 0 C--N 1.384 2.089 0 C-N-CA 125.503 1.521 . . . . 0.0 110.676 170.27 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.251 0.3 OUTLIER -58.6 -40.29 82.84 Favored 'General case' 0 C--N 1.372 1.584 0 C-N-CA 128.302 2.641 . . . . 0.0 112.76 174.549 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.7 -46.1 87.03 Favored 'General case' 0 C--N 1.376 1.719 0 C-N-CA 126.108 1.763 . . . . 0.0 113.463 170.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.05 98.35 Favored 'General case' 0 C--N 1.379 1.872 0 C-N-CA 126.873 2.069 . . . . 0.0 114.684 171.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.402 HD22 ' CE1' ' A' ' 68' ' ' PHE . 1.6 mp -50.51 -49.25 56.1 Favored 'General case' 0 C--N 1.379 1.869 0 C-N-CA 129.024 2.93 . . . . 0.0 113.928 175.203 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.781 0.2 OUTLIER -106.11 11.61 31.19 Favored 'General case' 0 C--N 1.376 1.72 0 N-CA-C 117.514 2.413 . . . . 0.0 117.514 169.853 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -41.77 59.8 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 119.214 -2.179 . . . . 0.0 107.348 172.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 17' ' ' ASN 0.251 9.6 tptp -104.26 134.26 19.78 Favored Pre-proline 0 N--CA 1.431 -1.417 0 N-CA-C 103.182 -2.896 . . . . 0.0 103.182 175.274 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -78.95 152.49 24.81 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 123.688 2.925 . . . . 0.0 110.676 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.37 107.26 13.03 Favored 'General case' 0 C--N 1.36 1.048 0 CA-C-O 125.193 2.425 . . . . 0.0 113.462 -177.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 15.1 ttt -145.34 151.06 37.7 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 111.7 -2.5 . . . . 0.0 108.007 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -134.87 107.04 7.15 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 104.798 -2.297 . . . . 0.0 104.798 167.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 66.18 -76.0 0.05 OUTLIER 'General case' 0 C--N 1.35 0.607 1 C-N-CA 133.672 4.789 . . . . 0.0 116.673 170.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.24 19.75 2.47 Favored Glycine 0 CA--C 1.496 -1.118 0 N-CA-C 106.977 -2.449 . . . . 0.0 106.977 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -121.45 124.82 45.4 Favored 'General case' 0 C--N 1.366 1.31 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.3 m -121.67 138.02 54.51 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 125.487 1.515 . . . . 0.0 107.779 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -134.35 147.74 50.6 Favored 'General case' 0 C--N 1.345 0.38 0 C-N-CA 128.711 2.804 . . . . 0.0 105.447 -178.552 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.6 t -106.49 132.01 54.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 C-N-CA 127.285 2.234 . . . . 0.0 107.881 -175.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.88 138.8 34.98 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 126.387 1.875 . . . . 0.0 113.846 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -76.46 134.74 39.46 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 126.82 2.048 . . . . 0.0 114.467 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.14 126.59 49.14 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 125.674 1.59 . . . . 0.0 108.041 177.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -155.56 169.02 25.26 Favored 'General case' 0 C--N 1.358 0.936 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 -178.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.7 p -74.7 50.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.367 1.33 0 C-N-CA 127.621 2.368 . . . . 0.0 114.839 -177.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.62 61.99 2.32 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 127.225 2.21 . . . . 0.0 111.096 -177.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -128.73 12.64 6.33 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 124.906 1.282 . . . . 0.0 109.417 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -80.57 61.25 4.21 Favored 'General case' 0 C--N 1.36 1.065 0 N-CA-C 116.747 2.128 . . . . 0.0 116.747 -173.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.2 t -99.28 138.76 22.74 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 C-N-CA 127.142 2.177 . . . . 0.0 108.636 176.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 31.4 mm -106.44 158.19 6.64 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 C-N-CA 125.741 1.616 . . . . 0.0 108.268 176.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 96.8 m -108.35 139.14 43.5 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 129.217 3.007 . . . . 0.0 107.063 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -99.82 123.53 44.17 Favored 'General case' 0 C--N 1.362 1.111 0 O-C-N 119.739 -1.851 . . . . 0.0 110.354 177.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.9 p -64.51 -20.86 66.47 Favored 'General case' 0 C--N 1.363 1.184 0 C-N-CA 130.747 3.619 . . . . 0.0 115.602 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -90.04 -9.66 47.72 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 127.509 2.323 . . . . 0.0 112.894 177.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.31 47.16 4.75 Favored Glycine 0 C--N 1.364 2.131 0 O-C-N 121.189 -0.944 . . . . 0.0 115.175 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 14.3 t -93.63 148.48 4.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.925 0 C-N-CA 124.803 1.241 . . . . 0.0 113.19 -175.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.2 t -71.73 139.36 49.07 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 130.401 3.48 . . . . 0.0 111.114 175.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.424 ' H ' ' CB ' ' A' ' 79' ' ' ALA . 73.2 mmtt -94.04 140.92 29.13 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 120.307 -1.496 . . . . 0.0 112.99 -178.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -117.78 116.31 26.74 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 100.5 -3.889 . . . . 0.0 100.5 171.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -123.36 129.29 7.31 Favored Glycine 0 CA--C 1.484 -1.886 0 N-CA-C 107.851 -2.099 . . . . 0.0 107.851 -169.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -105.04 114.91 45.83 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 N-CA-C 103.101 -2.925 . . . . 0.0 103.101 176.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.3 mm -104.99 113.46 42.1 Favored 'Isoleucine or valine' 0 C--N 1.358 0.942 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 -172.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -124.17 136.52 54.25 Favored 'General case' 0 CA--C 1.492 -1.27 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -177.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 40.0 t -131.01 144.33 38.17 Favored 'Isoleucine or valine' 0 C--O 1.247 0.924 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 177.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -117.71 129.35 55.66 Favored 'General case' 0 C--N 1.362 1.123 0 N-CA-C 104.709 -2.33 . . . . 0.0 104.709 174.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -126.32 145.27 50.5 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 104.179 -2.526 . . . . 0.0 104.179 -173.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 46.0 m -135.69 142.17 45.06 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 119.908 -1.745 . . . . 0.0 109.705 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.9 pt -106.5 141.93 20.59 Favored 'Isoleucine or valine' 0 C--N 1.363 1.193 0 C-N-CA 129.643 3.177 . . . . 0.0 102.938 175.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -50.64 92.78 0.01 OUTLIER 'General case' 0 C--N 1.36 1.063 0 N-CA-C 121.267 3.802 . . . . 0.0 121.267 -166.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -93.41 174.12 7.36 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 126.02 1.728 . . . . 0.0 113.445 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -82.95 66.47 8.59 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 127.975 2.51 . . . . 0.0 113.462 177.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 22.2 p -87.74 90.54 8.42 Favored 'General case' 0 C--N 1.347 0.488 0 C-N-CA 125.753 1.621 . . . . 0.0 110.538 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.459 0 N-CA-C 108.78 -1.728 . . . . 0.0 108.78 -177.955 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 6.6 pm0 . . . . . 0 N--CA 1.435 -1.191 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -136.57 98.12 0.28 Allowed Glycine 0 C--N 1.357 1.749 0 C-N-CA 125.106 1.336 . . . . 0.0 110.557 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 26.0 tp 71.16 -64.79 0.37 Allowed 'General case' 0 C--N 1.365 1.276 0 C-N-CA 127.83 2.452 . . . . 0.0 116.328 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -120.96 125.63 47.89 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 127.053 2.141 . . . . 0.0 106.548 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.6 p -91.8 0.96 57.46 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 125.502 1.521 . . . . 0.0 114.348 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.287 1.8 t90 84.01 63.6 0.01 OUTLIER 'General case' 0 C--N 1.359 0.99 0 C-N-CA 131.069 3.748 . . . . 0.0 111.696 -177.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -102.88 171.68 7.26 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 126.895 2.078 . . . . 0.0 109.74 -176.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -27.16 61.65 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 128.92 2.888 . . . . 0.0 116.606 -177.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.53 -33.62 70.07 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 127.274 2.229 . . . . 0.0 114.244 173.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.9 m -57.04 -47.95 79.69 Favored 'General case' 0 C--N 1.367 1.355 0 C-N-CA 127.895 2.478 . . . . 0.0 113.579 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.492 78.3 ttt-85 -72.58 -35.7 67.98 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 131.228 3.811 . . . . 0.0 114.353 170.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.17 -22.91 4.74 Favored 'General case' 0 CA--C 1.566 1.575 0 O-C-N 118.488 -2.633 . . . . 0.0 114.241 167.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.441 HD23 ' CD2' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -56.13 -33.58 65.29 Favored 'General case' 0 C--N 1.373 1.629 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 160.786 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -70.48 -37.88 74.3 Favored 'General case' 0 C--N 1.374 1.643 0 C-N-CA 128.708 2.803 . . . . 0.0 110.282 172.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -64.83 -32.5 74.22 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.777 -1.202 . . . . 0.0 114.232 167.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.19 -33.09 67.39 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 127.019 2.127 . . . . 0.0 112.143 171.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.8 m -69.96 -44.64 69.09 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 127.927 2.491 . . . . 0.0 111.197 172.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.18 -30.71 50.38 Favored 'Isoleucine or valine' 0 C--N 1.366 1.303 0 C-N-CA 126.837 2.055 . . . . 0.0 112.802 170.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -70.44 -36.18 73.8 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 124.294 1.038 . . . . 0.0 112.172 170.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . 0.423 12.9 p30 -62.48 -36.52 82.74 Favored 'General case' 0 C--N 1.365 1.272 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 168.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 mt -61.62 -40.64 95.59 Favored 'General case' 0 C--N 1.37 1.474 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 167.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -26.44 59.59 Favored 'General case' 0 C--N 1.37 1.461 0 C-N-CA 125.512 1.525 . . . . 0.0 113.768 173.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -86.79 -22.13 26.07 Favored 'General case' 0 C--N 1.371 1.501 0 C-N-CA 127.007 2.123 . . . . 0.0 113.571 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -81.11 98.45 8.02 Favored 'General case' 0 C--N 1.357 0.912 0 C-N-CA 124.866 1.266 . . . . 0.0 111.868 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.403 6.2 pt20 -40.58 -48.49 6.96 Favored Pre-proline 0 C--N 1.368 1.388 0 N-CA-C 121.036 3.717 . . . . 0.0 121.036 -174.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -65.9 -20.47 58.04 Favored 'Trans proline' 0 CA--C 1.552 1.378 0 CA-C-N 127.139 3.585 . . . . 0.0 115.694 168.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 tt -76.18 -26.05 55.82 Favored 'General case' 0 C--N 1.375 1.698 0 CA-C-N 122.357 2.344 . . . . 0.0 113.173 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 67.3 mtp -65.65 -27.99 68.77 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 128.091 2.557 . . . . 0.0 113.272 175.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -82.49 -9.97 59.21 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 126.969 2.107 . . . . 0.0 112.251 172.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.9 mmt -102.33 -31.05 10.7 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 127.908 2.483 . . . . 0.0 111.868 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.1 m -122.86 144.39 32.48 Favored 'Isoleucine or valine' 0 C--N 1.364 1.227 0 O-C-N 119.713 -1.867 . . . . 0.0 110.431 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.39 -8.64 19.04 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 120.103 -1.623 . . . . 0.0 110.314 164.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.417 6.4 mm-40 -136.77 38.57 2.61 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 130.271 3.428 . . . . 0.0 116.419 -157.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.4 p -86.55 109.46 18.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 O-C-N 118.6 -2.563 . . . . 0.0 107.722 176.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.1 t -140.25 144.6 36.57 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 123.913 1.816 . . . . 0.0 113.549 -170.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.412 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 5.3 tm-20 -90.96 -29.9 17.15 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 126.433 1.893 . . . . 0.0 112.163 176.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.3 m -106.12 151.65 40.19 Favored Pre-proline 0 C--N 1.354 0.803 0 C-N-CA 127.085 2.154 . . . . 0.0 106.227 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -63.91 136.25 51.99 Favored 'Trans proline' 0 C--N 1.359 1.116 0 CA-C-N 124.061 2.486 . . . . 0.0 117.958 -164.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.57 27.27 0.6 Allowed Glycine 0 CA--C 1.496 -1.12 0 N-CA-C 104.268 -3.533 . . . . 0.0 104.268 176.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.348 0.0 OUTLIER -84.52 -10.73 57.18 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 127.721 2.409 . . . . 0.0 114.456 -167.327 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -92.41 1.39 57.27 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 129.395 3.078 . . . . 0.0 110.573 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -95.56 157.89 35.39 Favored Pre-proline 0 C--N 1.362 1.11 0 C-N-CA 126.008 1.723 . . . . 0.0 109.152 174.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -75.68 163.09 34.45 Favored 'Trans proline' 0 CA--C 1.546 1.116 0 C-N-CA 124.819 3.68 . . . . 0.0 114.734 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.411 ' CE2' ' HB3' ' A' ' 71' ' ' TRP . 4.7 m-30 -73.32 163.71 66.44 Favored Pre-proline 0 CA--C 1.56 1.352 0 C-N-CA 128.929 2.891 . . . . 0.0 114.247 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -80.96 147.57 73.78 Favored 'Cis proline' 0 C--N 1.361 1.209 0 CA-C-N 121.94 1.729 . . . . 0.0 111.362 -1.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.415 ' CE1' ' CZ3' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -173.98 167.52 4.27 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-O 121.793 0.806 . . . . 0.0 112.305 -172.004 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.4 t -137.49 125.95 33.2 Favored 'Isoleucine or valine' 0 C--N 1.371 1.514 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.288 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.411 HG21 ' CH2' ' A' ' 71' ' ' TRP . 5.2 m -117.03 152.1 18.83 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 121.039 -1.038 . . . . 0.0 110.794 174.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.412 ' HB ' ' HA ' ' A' ' 33' ' ' GLU . 1.2 mp -74.41 140.64 17.24 Favored 'Isoleucine or valine' 0 C--N 1.371 1.527 0 C-N-CA 126.449 1.9 . . . . 0.0 111.793 171.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.72 -177.91 36.92 Favored Glycine 0 CA--C 1.474 -2.475 0 C-N-CA 118.446 -1.835 . . . . 0.0 109.14 176.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -145.81 121.02 10.18 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 102.817 -3.031 . . . . 0.0 102.817 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.25 143.13 33.96 Favored 'General case' 0 C--N 1.366 1.306 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -174.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . 0.374 96.4 p 63.16 -112.03 0.38 Allowed 'General case' 0 C--N 1.361 1.092 0 C-N-CA 129.169 2.988 . . . . 0.0 114.979 -178.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.6 m 160.31 98.93 0.0 OUTLIER 'General case' 0 CA--C 1.505 -0.754 0 C-N-CA 128.656 2.782 . . . . 0.0 106.297 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.6 t -108.11 146.04 32.69 Favored Pre-proline 0 C--N 1.349 0.561 0 C-N-CA 125.086 1.354 . . . . 0.0 109.166 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -80.16 130.79 8.44 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 124.12 3.214 . . . . 0.0 112.602 -177.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -135.88 150.5 49.39 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.853 1.661 . . . . 0.0 108.574 178.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -122.34 152.4 40.17 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 125.718 1.607 . . . . 0.0 108.36 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.3 t -134.93 177.75 7.56 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.5 tttp 70.6 45.17 0.61 Allowed 'General case' 0 C--N 1.359 1.007 0 C-N-CA 129.126 2.97 . . . . 0.0 111.931 -176.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.6 t -169.8 -179.55 3.32 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 -177.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.2 p -71.95 59.21 0.36 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 129.293 3.037 . . . . 0.0 115.786 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -89.38 -51.19 5.69 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 128.059 2.544 . . . . 0.0 110.69 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 130.58 -169.47 21.36 Favored Glycine 0 C--N 1.352 1.446 0 N-CA-C 108.884 -1.686 . . . . 0.0 108.884 177.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -116.66 79.65 1.35 Allowed 'General case' 0 C--N 1.35 0.604 0 N-CA-C 104.608 -2.367 . . . . 0.0 104.608 177.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -125.99 138.41 53.74 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-O 123.625 1.679 . . . . 0.0 110.469 -176.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.431 ' HB ' ' CD2' ' A' ' 129' ' ' PHE . 0.2 OUTLIER -124.14 135.52 63.37 Favored 'Isoleucine or valine' 0 C--N 1.361 1.081 0 N-CA-C 104.032 -2.581 . . . . 0.0 104.032 -177.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 91.1 m -130.01 120.63 25.06 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 66.6 mmm -147.0 151.34 36.8 Favored 'General case' 0 C--N 1.363 1.17 0 CA-C-N 121.186 1.812 . . . . 0.0 111.112 -176.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.85 163.64 17.22 Favored 'General case' 0 C--N 1.363 1.192 0 CA-C-O 124.576 2.131 . . . . 0.0 110.937 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.297 0.0 OUTLIER -142.51 140.22 31.75 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 102.65 -3.092 . . . . 0.0 102.65 173.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -112.49 118.1 34.21 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 101.654 -3.462 . . . . 0.0 101.654 -176.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.1 t -118.6 111.94 35.93 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.27 0 N-CA-C 105.265 -2.124 . . . . 0.0 105.265 -167.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.415 ' CZ3' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -130.26 139.15 50.79 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 117.778 -1.569 . . . . 0.0 109.492 -176.4 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -140.51 171.04 24.18 Favored Glycine 0 CA--C 1.484 -1.849 0 N-CA-C 107.892 -2.083 . . . . 0.0 107.892 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -114.71 -150.41 10.0 Favored Glycine 0 C--N 1.355 1.613 0 C-N-CA 124.98 1.276 . . . . 0.0 111.192 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.26 31.1 m 73.2 -67.92 0.25 Allowed 'General case' 0 C--N 1.36 1.046 0 C-N-CA 128.317 2.647 . . . . 0.0 115.468 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.7 m -157.47 155.3 30.16 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 -176.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.33 -35.17 50.11 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 130.784 3.634 . . . . 0.0 114.878 177.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.28 -35.39 73.67 Favored 'General case' 0 C--N 1.362 1.121 0 C-N-CA 129.918 3.287 . . . . 0.0 115.215 173.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -69.99 -33.49 72.12 Favored 'General case' 0 C--N 1.371 1.508 0 C-N-CA 126.558 1.943 . . . . 0.0 113.913 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.89 -29.97 70.56 Favored 'General case' 0 C--N 1.366 1.294 0 C-N-CA 129.753 3.221 . . . . 0.0 114.652 175.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -77.12 -37.91 53.21 Favored 'General case' 0 C--N 1.363 1.196 0 C-N-CA 127.685 2.394 . . . . 0.0 111.138 174.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.17 -50.98 59.19 Favored 'General case' 0 C--N 1.37 1.497 0 C-N-CA 127.336 2.254 . . . . 0.0 111.953 173.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.33 40.7 pt -61.6 -37.61 78.3 Favored 'Isoleucine or valine' 0 C--N 1.375 1.702 0 C-N-CA 125.045 1.338 . . . . 0.0 114.546 175.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . 0.25 15.6 p -68.13 -39.78 82.63 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 126.171 1.788 . . . . 0.0 112.734 173.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 t -67.76 -42.26 82.05 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 127.83 2.452 . . . . 0.0 112.831 173.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -63.79 -34.53 78.12 Favored 'General case' 0 C--N 1.374 1.631 0 C-N-CA 126.378 1.871 . . . . 0.0 112.627 172.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.252 4.7 t -64.05 -49.49 81.32 Favored 'Isoleucine or valine' 0 C--N 1.387 2.198 0 C-N-CA 125.199 1.399 . . . . 0.0 112.396 166.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.02 -48.19 74.78 Favored 'General case' 0 C--N 1.378 1.824 0 CA-C-N 123.324 2.784 . . . . 0.0 114.27 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.65 -34.89 73.39 Favored 'General case' 0 C--N 1.374 1.643 0 C-N-CA 127.339 2.256 . . . . 0.0 112.517 174.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.57 -45.7 78.42 Favored 'General case' 0 C--N 1.38 1.893 0 C-N-CA 125.532 1.533 . . . . 0.0 114.017 167.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.259 33.9 mt -49.09 -45.57 43.44 Favored 'General case' 0 C--N 1.396 2.611 0 C-N-CA 127.681 2.392 . . . . 0.0 114.744 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.591 0.2 OUTLIER -103.19 10.27 37.86 Favored 'General case' 0 C--N 1.365 1.244 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 171.206 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -78.29 -45.64 22.22 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 119.304 -2.122 . . . . 0.0 109.12 175.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.02 101.74 47.16 Favored Pre-proline 0 C--N 1.356 0.867 0 N-CA-C 102.113 -3.292 . . . . 0.0 102.113 175.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.69 157.55 58.26 Favored 'Trans proline' 0 C--N 1.36 1.149 0 C-N-CA 124.028 3.152 . . . . 0.0 115.059 -170.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.6 mt -71.31 107.4 4.26 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 126.977 2.111 . . . . 0.0 115.717 -172.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 46.5 ttp -145.16 139.3 27.16 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 126.102 1.761 . . . . 0.0 108.435 176.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -134.77 108.17 7.82 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 178.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 71.53 22.32 4.17 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 130.036 3.334 . . . . 0.0 115.368 173.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 101.15 -5.75 56.01 Favored Glycine 0 C--N 1.353 1.495 0 C-N-CA 126.035 1.779 . . . . 0.0 112.013 -174.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -96.71 126.09 41.63 Favored 'General case' 0 C--N 1.361 1.072 0 CA-C-N 118.437 1.118 . . . . 0.0 109.364 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.2 p -93.44 153.03 18.72 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 127.354 2.261 . . . . 0.0 113.078 -175.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -136.29 139.2 42.48 Favored 'General case' 0 C--N 1.361 1.102 0 N-CA-C 105.928 -1.878 . . . . 0.0 105.928 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.3 t -107.09 115.88 49.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 C-N-CA 126.24 1.816 . . . . 0.0 108.762 -173.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.2 138.72 35.8 Favored 'General case' 0 C--N 1.367 1.347 0 N-CA-C 117.507 2.41 . . . . 0.0 117.507 -172.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -122.47 143.0 49.97 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 129.859 3.264 . . . . 0.0 107.131 177.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.1 tptm 83.35 130.49 0.05 OUTLIER 'General case' 0 C--N 1.366 1.291 0 C-N-CA 127.37 2.268 . . . . 0.0 116.882 174.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 97.6 mt -109.42 141.93 41.11 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 104.433 -2.432 . . . . 0.0 104.433 171.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.5 t -87.38 133.7 29.56 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 C-N-CA 124.474 1.11 . . . . 0.0 112.31 -174.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.9 mt -100.97 143.1 31.52 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 126.27 1.828 . . . . 0.0 109.372 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.41 69.89 1.96 Allowed 'General case' 0 C--N 1.356 0.851 0 C-N-CA 124.672 1.189 . . . . 0.0 112.355 -177.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -107.18 62.93 0.62 Allowed 'General case' 0 C--N 1.356 0.877 0 O-C-N 120.041 -1.662 . . . . 0.0 109.474 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.7 m -127.36 138.91 53.4 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 C-N-CA 129.089 2.956 . . . . 0.0 105.232 178.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.5 mt -107.87 149.36 11.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 C-N-CA 126.755 2.022 . . . . 0.0 110.592 -174.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 86.7 m -81.45 141.89 33.46 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 129.325 3.05 . . . . 0.0 110.781 176.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -95.29 141.02 29.37 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 125.528 1.531 . . . . 0.0 112.728 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.19 -22.72 0.42 Allowed 'General case' 0 C--N 1.367 1.346 1 C-N-CA 133.574 4.749 . . . . 0.0 118.557 -178.086 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -90.11 -13.69 35.24 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 127.232 2.213 . . . . 0.0 114.1 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.76 47.67 4.44 Favored Glycine 0 C--N 1.368 2.343 0 CA-C-N 120.66 1.573 . . . . 0.0 114.231 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 42.5 t -80.96 148.42 5.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 C-N-CA 127.549 2.339 . . . . 0.0 112.37 -176.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.0 p -61.68 131.97 51.71 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 129.28 3.032 . . . . 0.0 112.274 174.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -93.28 141.23 28.67 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 122.794 1.283 . . . . 0.0 113.749 -171.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -133.88 150.38 51.36 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 126.384 1.873 . . . . 0.0 110.167 -175.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -122.32 140.65 13.62 Favored Glycine 0 C--N 1.353 1.492 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 171.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.23 117.86 52.78 Favored 'Isoleucine or valine' 0 C--N 1.367 1.34 0 N-CA-C 103.568 -2.753 . . . . 0.0 103.568 172.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.3 mm -112.74 117.89 56.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 CA-C-N 114.507 -1.224 . . . . 0.0 108.106 -170.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -116.73 140.14 49.76 Favored 'General case' 0 C--N 1.37 1.485 0 CA-C-O 121.325 0.583 . . . . 0.0 109.907 175.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -136.0 157.56 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 169.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . 0.273 24.9 ttt180 -134.49 141.59 46.79 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 126.707 2.003 . . . . 0.0 110.209 174.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.441 ' CD2' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -133.38 144.38 49.53 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 104.643 -2.355 . . . . 0.0 104.643 -175.905 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 88.3 m -134.89 142.98 46.71 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 126.667 1.987 . . . . 0.0 106.465 -174.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 9.7 tp -120.08 136.29 57.63 Favored 'Isoleucine or valine' 0 C--N 1.363 1.159 0 O-C-N 119.909 -1.744 . . . . 0.0 108.427 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -149.88 178.31 9.02 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -80.29 85.68 5.77 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 126.216 1.806 . . . . 0.0 112.954 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . 0.267 0.4 OUTLIER 89.07 47.5 0.01 OUTLIER 'General case' 0 C--N 1.355 0.806 0 C-N-CA 128.043 2.537 . . . . 0.0 113.207 173.193 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 8.9 t -102.22 129.62 48.67 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 120.726 -1.234 . . . . 0.0 108.214 172.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.519 0 N-CA-C 108.268 -1.933 . . . . 0.0 108.268 -178.921 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 . . . . . 0 N--CA 1.44 -0.945 0 CA-C-O 121.946 0.879 . . . . 0.0 109.075 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -85.92 2.05 87.8 Favored Glycine 0 C--N 1.359 1.829 0 C-N-CA 125.759 1.647 . . . . 0.0 114.388 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -89.9 59.72 4.69 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 128.205 2.602 . . . . 0.0 111.002 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -110.3 -108.53 0.34 Allowed 'General case' 0 C--N 1.359 0.996 0 C-N-CA 127.49 2.316 . . . . 0.0 109.737 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.8 t -169.98 178.77 3.83 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 102.261 -3.237 . . . . 0.0 102.261 177.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -154.07 164.44 38.48 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 -175.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -112.86 90.22 3.29 Favored 'General case' 0 C--N 1.36 1.049 0 N-CA-C 102.238 -3.245 . . . . 0.0 102.238 174.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.6 tp -56.92 -51.27 69.78 Favored 'General case' 0 C--N 1.369 1.436 0 N-CA-C 120.054 3.353 . . . . 0.0 120.054 -163.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.26 -51.43 37.53 Favored 'General case' 0 C--N 1.367 1.341 0 CA-C-N 122.073 2.215 . . . . 0.0 113.146 174.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 m -58.5 -48.65 80.1 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 129.399 3.08 . . . . 0.0 117.469 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.523 9.2 tpt180 -73.9 -37.84 64.55 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.279 2.231 . . . . 0.0 114.146 172.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.296 . . -58.51 -22.68 55.97 Favored 'General case' 0 C--N 1.367 1.354 0 O-C-N 117.965 -2.959 . . . . 0.0 115.383 170.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.469 ' HB3' ' CE1' ' A' ' 102' ' ' PHE 0.319 0.4 OUTLIER -63.62 -28.71 70.1 Favored 'General case' 0 C--N 1.377 1.772 0 O-C-N 120.414 -1.429 . . . . 0.0 114.776 161.059 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.291 1.0 OUTLIER -67.95 -38.23 82.55 Favored 'General case' 0 C--N 1.383 2.038 0 O-C-N 118.619 -2.551 . . . . 0.0 109.858 174.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -66.01 -29.76 70.19 Favored 'General case' 0 C--N 1.368 1.397 0 CA-C-N 113.609 -1.632 . . . . 0.0 113.898 166.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.26 -42.73 79.2 Favored 'General case' 0 C--N 1.37 1.484 0 C-N-CA 125.562 1.545 . . . . 0.0 111.978 168.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.3 p -57.25 -41.79 80.31 Favored 'General case' 0 C--N 1.382 2.015 0 C-N-CA 126.124 1.77 . . . . 0.0 111.918 172.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -69.74 -33.8 57.96 Favored 'Isoleucine or valine' 0 C--N 1.369 1.428 0 CA-C-N 114.676 -1.147 . . . . 0.0 114.063 176.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -71.42 -29.93 65.48 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 170.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.417 ' HA ' ' HD3' ' A' ' 93' ' ' LYS . 8.6 m-20 -69.71 -39.14 77.05 Favored 'General case' 0 C--N 1.372 1.547 0 O-C-N 120.312 -1.492 . . . . 0.0 112.118 171.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.72 -46.28 88.86 Favored 'General case' 0 C--N 1.373 1.623 0 C-N-CA 126.78 2.032 . . . . 0.0 112.45 172.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.261 0.0 OUTLIER -69.13 -25.38 64.36 Favored 'General case' 0 C--N 1.363 1.167 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 172.66 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.463 ' HB2' ' HD3' ' A' ' 93' ' ' LYS . 14.1 m -84.68 -21.84 30.02 Favored 'General case' 0 C--N 1.385 2.111 0 CA-C-N 120.023 1.283 . . . . 0.0 114.214 177.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.427 ' CD2' ' HB1' ' A' ' 89' ' ' ALA . 43.4 t80 -75.8 98.08 4.06 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.314 6.6 pt20 -42.36 -44.39 8.99 Favored Pre-proline 0 C--N 1.369 1.439 0 N-CA-C 118.567 2.803 . . . . 0.0 118.567 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -65.4 -21.95 60.21 Favored 'Trans proline' 0 C--N 1.363 1.333 0 C-N-CA 124.703 3.602 . . . . 0.0 116.264 170.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 85' ' ' ARG 0.405 3.4 pp -86.89 -18.28 31.22 Favored 'General case' 0 C--N 1.382 2.02 0 CA-C-N 124.342 3.247 . . . . 0.0 113.269 176.685 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 84.7 mmm -67.19 -28.61 68.24 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 127.237 2.215 . . . . 0.0 115.0 174.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -78.07 -25.64 47.77 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 127.158 2.183 . . . . 0.0 112.9 177.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 48.3 tpp -102.79 -40.15 6.69 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 125.21 1.404 . . . . 0.0 114.6 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.463 HG11 HH12 ' A' ' 85' ' ' ARG . 11.4 m -121.61 142.66 36.93 Favored 'Isoleucine or valine' 0 C--N 1.372 1.566 0 O-C-N 117.923 -2.986 . . . . 0.0 107.171 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -102.63 -36.61 8.28 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-O 125.722 2.677 . . . . 0.0 111.83 -178.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -98.24 37.06 1.49 Allowed 'General case' 0 N--CA 1.435 -1.207 1 C-N-CA 136.275 5.83 . . . . 0.0 111.159 -172.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 p -87.93 106.52 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.159 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 172.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.9 t -146.45 168.73 20.46 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-O 123.082 1.42 . . . . 0.0 113.612 -165.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -98.78 -16.51 18.89 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 127.802 2.441 . . . . 0.0 113.137 178.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.6 m -174.4 -68.6 0.0 OUTLIER Pre-proline 0 C--N 1.36 1.046 0 CA-C-O 116.89 -1.529 . . . . 0.0 110.603 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -73.13 137.2 25.88 Favored 'Trans proline' 0 C--N 1.363 1.326 0 CA-C-N 126.84 3.479 . . . . 0.0 112.451 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.43 12.32 38.93 Favored Glycine 0 C--N 1.356 1.689 0 O-C-N 120.665 -1.272 . . . . 0.0 111.83 -174.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -23.38 29.85 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 128.011 2.524 . . . . 0.0 116.31 -176.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -105.89 15.43 26.63 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 127.647 2.379 . . . . 0.0 110.014 -177.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -89.84 164.9 26.91 Favored Pre-proline 0 C--N 1.359 1.009 0 C-N-CA 125.851 1.66 . . . . 0.0 110.675 177.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -74.6 155.4 44.9 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 124.178 3.252 . . . . 0.0 115.142 -175.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -68.59 142.22 93.86 Favored Pre-proline 0 C--N 1.362 1.123 0 C-N-CA 129.042 2.937 . . . . 0.0 114.397 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -85.7 148.53 44.46 Favored 'Cis proline' 0 CA--C 1.546 1.082 0 CA-C-N 122.422 1.901 . . . . 0.0 115.329 5.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -168.35 167.85 11.72 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 124.993 1.317 . . . . 0.0 113.458 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.7 t -132.21 131.7 60.93 Favored 'Isoleucine or valine' 0 C--N 1.395 2.554 0 O-C-N 121.09 -1.007 . . . . 0.0 110.504 179.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.3 m -121.92 151.72 25.59 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 O-C-N 119.817 -1.802 . . . . 0.0 109.955 177.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.6 mt -82.68 139.9 17.15 Favored 'Isoleucine or valine' 0 C--N 1.368 1.39 0 C-N-CA 125.481 1.512 . . . . 0.0 107.871 165.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.84 -152.59 6.11 Favored Glycine 0 N--CA 1.441 -0.997 0 N-CA-C 106.234 -2.746 . . . . 0.0 106.234 174.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -146.86 151.9 37.83 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 176.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -94.85 153.72 17.58 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 125.744 1.617 . . . . 0.0 108.664 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.2 m -69.25 68.11 0.19 Allowed 'General case' 0 C--N 1.356 0.86 0 N-CA-C 117.046 2.239 . . . . 0.0 117.046 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.3 m -81.44 23.6 0.61 Allowed 'General case' 0 C--N 1.363 1.183 0 C-N-CA 127.116 2.166 . . . . 0.0 114.968 -178.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.337 1.5 t -74.27 -34.94 2.09 Favored Pre-proline 0 C--N 1.361 1.088 0 CA-C-O 114.69 -2.576 . . . . 0.0 116.078 179.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -87.99 114.09 0.86 Allowed 'Trans proline' 0 C--N 1.368 1.571 0 CA-C-N 127.296 3.641 . . . . 0.0 108.991 170.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -127.65 150.12 49.89 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 120.495 -1.378 . . . . 0.0 112.581 -173.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -117.44 -64.45 1.3 Allowed 'General case' 0 C--N 1.357 0.933 0 C-N-CA 125.199 1.399 . . . . 0.0 109.869 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 p -122.43 139.25 54.07 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 125.813 1.645 . . . . 0.0 108.364 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . 0.312 40.5 tptt 85.4 34.86 0.03 OUTLIER 'General case' 0 C--N 1.364 1.207 0 C-N-CA 128.486 2.714 . . . . 0.0 114.735 178.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.9 p -92.94 54.61 2.21 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 127.987 2.515 . . . . 0.0 110.446 177.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.6 p -123.76 112.62 17.55 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 128.1 2.56 . . . . 0.0 107.507 -176.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -102.06 140.11 36.79 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 126.063 1.745 . . . . 0.0 113.689 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 156.92 -44.67 0.51 Allowed Glycine 0 C--N 1.358 1.751 0 O-C-N 121.611 -0.68 . . . . 0.0 112.515 176.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -135.02 61.4 1.67 Allowed 'General case' 0 C--N 1.361 1.066 0 C-N-CA 125.259 1.424 . . . . 0.0 107.95 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -139.82 127.53 21.84 Favored 'General case' 0 C--N 1.352 0.693 0 O-C-N 120.609 -1.307 . . . . 0.0 111.609 -173.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -108.37 125.05 65.16 Favored 'Isoleucine or valine' 0 C--N 1.366 1.301 0 C-N-CA 128.925 2.89 . . . . 0.0 103.818 177.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 p -130.41 124.48 32.23 Favored 'General case' 0 C--N 1.356 0.888 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.3 ptm -145.63 157.73 43.93 Favored 'General case' 0 C--N 1.366 1.324 0 O-C-N 121.239 -0.913 . . . . 0.0 111.83 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -134.41 143.17 47.42 Favored 'General case' 0 C--N 1.369 1.42 0 CA-C-O 122.197 0.999 . . . . 0.0 109.239 172.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.25 0.1 OUTLIER -120.9 130.36 53.86 Favored 'General case' 0 CA--C 1.559 1.296 0 N-CA-C 102.424 -3.176 . . . . 0.0 102.424 169.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -113.32 121.03 43.16 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 127.367 2.267 . . . . 0.0 106.305 -174.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 p -119.72 120.52 63.63 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.93 0 C-N-CA 126.266 1.826 . . . . 0.0 107.454 -170.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.97 138.37 43.95 Favored 'General case' 0 C--N 1.37 1.461 0 C-N-CA 117.523 -1.671 . . . . 0.0 109.818 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -138.75 90.29 0.2 Allowed Glycine 0 C--N 1.356 1.689 0 N-CA-C 107.528 -2.229 . . . . 0.0 107.528 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.71 45.26 3.37 Favored Glycine 0 C--N 1.359 1.86 0 C-N-CA 126.534 2.016 . . . . 0.0 115.673 -176.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.3 m -105.8 -48.07 3.73 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 128.0 2.52 . . . . 0.0 111.838 -177.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.3 m -163.38 153.74 15.88 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 104.181 -2.525 . . . . 0.0 104.181 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.477 ' H ' ' HD2' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -57.4 -34.61 69.07 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 130.796 3.638 . . . . 0.0 115.231 177.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.83 -35.65 81.8 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 126.945 2.098 . . . . 0.0 114.357 173.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.99 -33.52 74.47 Favored 'General case' 0 C--N 1.371 1.522 0 C-N-CA 127.919 2.488 . . . . 0.0 113.756 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.1 -32.41 73.78 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 126.689 1.996 . . . . 0.0 114.541 175.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -73.63 -42.45 61.43 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 128.417 2.687 . . . . 0.0 111.137 174.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -67.06 -50.87 60.39 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 127.864 2.466 . . . . 0.0 112.871 176.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.355 19.6 pt -62.11 -37.02 77.4 Favored 'Isoleucine or valine' 0 C--N 1.373 1.62 0 C-N-CA 125.857 1.663 . . . . 0.0 114.851 175.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.1 t -62.45 -50.72 70.34 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 127.601 2.361 . . . . 0.0 112.698 169.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.2 m -61.04 -42.0 97.65 Favored 'General case' 0 C--N 1.37 1.498 0 C-N-CA 127.734 2.414 . . . . 0.0 112.553 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.463 HH12 HG11 ' A' ' 28' ' ' VAL . 22.9 ttp180 -66.31 -46.91 75.27 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 129.365 3.066 . . . . 0.0 112.92 173.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.426 3.5 p -70.31 -40.8 78.27 Favored 'Isoleucine or valine' 0 C--N 1.37 1.495 0 O-C-N 119.568 -1.957 . . . . 0.0 116.051 175.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.411 1.5 pp -68.8 -33.18 73.42 Favored 'General case' 0 C--N 1.382 1.999 0 O-C-N 119.063 -2.273 . . . . 0.0 113.862 172.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -63.51 -47.2 82.68 Favored 'General case' 0 C--N 1.377 1.77 0 CA-C-O 116.774 -1.584 . . . . 0.0 111.994 170.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.427 ' HB1' ' CD2' ' A' ' 21' ' ' TYR . . . -54.45 -47.88 72.39 Favored 'General case' 0 C--N 1.375 1.712 0 C-N-CA 126.892 2.077 . . . . 0.0 115.636 169.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.6 mt -55.89 -38.69 70.51 Favored 'General case' 0 C--N 1.379 1.853 0 C-N-CA 126.805 2.042 . . . . 0.0 115.673 176.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.576 0.2 OUTLIER -107.85 10.35 28.63 Favored 'General case' 0 C--N 1.368 1.406 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 169.094 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -47.21 22.23 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 124.281 1.991 . . . . 0.0 107.247 177.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.463 ' HD3' ' HB2' ' A' ' 20' ' ' SER . 16.3 tttm -118.81 123.43 29.05 Favored Pre-proline 0 N--CA 1.429 -1.5 0 N-CA-C 102.043 -3.317 . . . . 0.0 102.043 176.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.4 151.36 25.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 124.217 3.278 . . . . 0.0 111.192 -175.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.37 106.64 18.38 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-O 124.443 2.068 . . . . 0.0 108.711 178.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 61.9 ttp -143.28 141.66 31.09 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 102.899 -3.0 . . . . 0.0 102.899 -175.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -127.98 113.31 15.67 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.021 1.329 . . . . 0.0 107.599 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 67.82 12.85 9.02 Favored 'General case' 0 C--N 1.362 1.118 0 C-N-CA 130.328 3.451 . . . . 0.0 115.797 175.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.15 -2.21 35.2 Favored Glycine 0 C--N 1.352 1.418 0 C-N-CA 126.204 1.859 . . . . 0.0 111.614 -171.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -90.49 124.32 34.9 Favored 'General case' 0 C--N 1.368 1.402 0 CA-C-N 119.262 1.531 . . . . 0.0 110.977 -178.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.1 m -108.8 153.83 22.93 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 125.11 1.364 . . . . 0.0 110.227 -176.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.469 ' CE1' ' HB3' ' A' ' 10' ' ' LEU . 10.7 m-85 -131.0 156.18 45.57 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 125.62 1.568 . . . . 0.0 107.189 -173.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.8 t -106.54 119.98 56.91 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 -176.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.46 115.72 20.92 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 124.282 1.033 . . . . 0.0 110.478 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -95.98 94.2 7.45 Favored 'General case' 0 C--N 1.358 0.937 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -171.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . 0.261 57.8 tttm 80.4 108.14 0.07 Allowed 'General case' 0 C--N 1.367 1.357 0 C-N-CA 128.692 2.797 . . . . 0.0 114.95 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 53.2 mt -90.99 114.56 27.1 Favored 'General case' 0 C--N 1.362 1.145 0 O-C-N 120.372 -1.455 . . . . 0.0 111.645 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . 0.342 45.4 t 79.6 80.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.229 0 C-N-CA 127.846 2.459 . . . . 0.0 111.405 -179.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 pp -103.89 23.35 13.0 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 126.686 1.994 . . . . 0.0 111.897 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -158.38 134.49 9.21 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 125.79 1.636 . . . . 0.0 106.904 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.32 120.99 39.69 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 125.659 1.584 . . . . 0.0 113.372 -178.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.1 m -109.85 127.38 66.75 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 N-CA-C 104.731 -2.322 . . . . 0.0 104.731 172.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.0 tp -129.38 167.13 25.31 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.548 0 O-C-N 120.724 -1.235 . . . . 0.0 110.904 -172.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 36.8 m -71.35 111.37 6.62 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 130.19 3.396 . . . . 0.0 111.331 176.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.08 118.32 36.24 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 125.895 1.678 . . . . 0.0 108.556 178.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.27 -20.45 61.52 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 130.092 3.357 . . . . 0.0 117.432 -177.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -76.64 -13.84 60.03 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 119.927 3.306 . . . . 0.0 119.927 -172.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.56 46.71 4.82 Favored Glycine 0 C--N 1.363 2.051 0 CA-C-N 120.78 1.627 . . . . 0.0 114.685 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 6.7 p -100.59 148.22 7.09 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 C-N-CA 126.406 1.882 . . . . 0.0 108.322 177.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.4 m -70.23 119.04 13.82 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 126.183 1.793 . . . . 0.0 110.511 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -93.02 139.41 30.56 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 123.095 1.426 . . . . 0.0 114.295 -171.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -123.1 148.2 45.93 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 129.281 3.032 . . . . 0.0 108.101 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -119.17 123.26 5.6 Favored Glycine 0 C--N 1.364 2.114 0 N-CA-C 105.823 -2.911 . . . . 0.0 105.823 172.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 20.3 tt -117.59 115.77 49.68 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 N-CA-C 103.85 -2.648 . . . . 0.0 103.85 178.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 48.5 mt -119.54 118.83 58.6 Favored 'Isoleucine or valine' 0 C--N 1.364 1.239 0 N-CA-C 106.071 -1.825 . . . . 0.0 106.071 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.4 tttp -107.1 139.52 41.39 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 173.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 62.0 t -126.5 141.1 46.95 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 169.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -112.88 133.94 54.62 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 128.385 2.674 . . . . 0.0 105.254 173.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -130.11 125.57 35.45 Favored 'General case' 0 CA--C 1.5 -0.98 0 N-CA-C 102.557 -3.127 . . . . 0.0 102.557 -177.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 37.3 m -120.62 141.04 50.71 Favored 'General case' 0 C--N 1.343 0.295 0 N-CA-C 105.173 -2.158 . . . . 0.0 105.173 -177.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.1 pt -129.12 138.72 53.74 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.898 0 N-CA-C 104.277 -2.49 . . . . 0.0 104.277 178.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -93.61 -118.89 0.09 Allowed 'General case' 0 C--N 1.36 1.046 0 CA-C-N 119.598 1.09 . . . . 0.0 112.728 -175.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.75 104.36 3.72 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 120.182 -1.573 . . . . 0.0 107.026 -178.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -120.62 57.56 0.96 Allowed 'General case' 0 C--N 1.357 0.914 0 N-CA-C 106.363 -1.718 . . . . 0.0 106.363 174.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 11.4 t -117.6 155.35 29.99 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 125.804 1.641 . . . . 0.0 108.932 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.635 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 -179.761 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.76 -39.99 79.99 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 125.065 1.346 . . . . 0.0 114.042 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -46.36 90.18 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 127.536 2.334 . . . . 0.0 113.837 175.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.667 1.1 tpt180 -72.55 -36.43 68.25 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-O 124.709 2.195 . . . . 0.0 114.145 176.159 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.64 -23.68 52.46 Favored 'General case' 0 CA--C 1.567 1.606 0 O-C-N 119.436 -2.04 . . . . 0.0 115.263 163.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.568 ' CD2' HG21 ' A' ' 64' ' ' ILE 0.301 0.2 OUTLIER -63.6 -29.58 70.81 Favored 'General case' 0 C--N 1.385 2.136 0 O-C-N 119.019 -2.301 . . . . 0.0 113.33 165.077 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.251 2.0 tt0 -69.32 -37.14 77.59 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 126.21 1.804 . . . . 0.0 110.072 171.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -63.99 -36.86 85.36 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 166.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.0 -33.52 68.16 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 127.321 2.248 . . . . 0.0 111.679 174.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.403 ' HA ' ' OD1' ' A' ' 17' ' ' ASN . 57.1 m -70.42 -39.24 74.53 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 127.54 2.336 . . . . 0.0 110.89 173.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.1 t -65.42 -30.84 51.43 Favored 'Isoleucine or valine' 0 C--N 1.374 1.635 0 O-C-N 120.154 -1.591 . . . . 0.0 111.432 168.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -68.53 -36.18 78.47 Favored 'General case' 0 C--N 1.368 1.378 0 O-C-N 119.686 -1.884 . . . . 0.0 115.506 170.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.491 ' HB3' ' HG2' ' A' ' 93' ' ' LYS 0.302 1.2 p-10 -68.82 -36.39 78.15 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 121.057 1.753 . . . . 0.0 113.371 165.651 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.03 -40.38 95.51 Favored 'General case' 0 C--N 1.376 1.734 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 171.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -77.5 -27.27 51.79 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 124.488 1.115 . . . . 0.0 113.127 173.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 m -80.89 -20.53 42.0 Favored 'General case' 0 C--N 1.378 1.823 0 O-C-N 120.624 -1.297 . . . . 0.0 113.122 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -88.69 93.13 9.46 Favored 'General case' 0 C--N 1.36 1.044 0 CA-C-O 124.658 2.17 . . . . 0.0 112.546 -178.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.289 5.4 pt20 -51.78 -39.57 62.72 Favored Pre-proline 0 C--N 1.362 1.11 0 C-N-CA 129.88 3.272 . . . . 0.0 118.363 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -65.08 -19.59 63.32 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 124.777 3.651 . . . . 0.0 115.417 169.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 tt -78.86 -43.85 24.15 Favored 'General case' 0 C--N 1.376 1.726 0 CA-C-N 122.493 2.406 . . . . 0.0 114.475 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.4 ptm -57.88 -25.97 61.48 Favored 'General case' 0 C--N 1.357 0.905 1 C-N-CA 132.048 4.139 . . . . 0.0 116.521 175.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -82.29 -22.01 35.9 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 126.207 1.803 . . . . 0.0 111.233 173.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 45.3 ttm -92.68 -30.95 15.3 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 127.893 2.477 . . . . 0.0 112.897 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.439 HG21 HG13 ' A' ' 31' ' ' VAL . 5.4 m -123.64 148.84 27.54 Favored 'Isoleucine or valine' 0 C--N 1.365 1.246 0 O-C-N 120.057 -1.652 . . . . 0.0 107.395 175.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -99.51 -8.52 24.51 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 118.84 -2.412 . . . . 0.0 109.702 170.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.627 ' HB3' ' HB2' ' A' ' 43' ' ' TYR 0.761 0.0 OUTLIER -122.88 40.96 3.57 Favored 'General case' 0 CA--C 1.478 -1.793 0 N-CA-C 121.523 3.897 . . . . 0.0 121.523 -158.834 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.439 HG13 HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -85.83 107.75 16.69 Favored 'Isoleucine or valine' 0 C--N 1.373 1.629 0 CA-C-N 123.022 2.647 . . . . 0.0 105.672 176.297 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.3 t -137.1 153.78 50.45 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 111.142 -2.754 . . . . 0.0 109.443 -173.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -92.14 45.95 1.24 Allowed 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.076 -1.64 . . . . 0.0 113.879 -178.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.429 16.9 m 116.98 -59.33 0.0 OUTLIER Pre-proline 0 C--N 1.358 0.948 0 C-N-CA 128.917 2.887 . . . . 0.0 112.779 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -72.41 136.43 26.28 Favored 'Trans proline' 0 C--N 1.359 1.126 0 CA-C-N 127.377 3.67 . . . . 0.0 114.386 -175.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.67 46.57 0.72 Allowed Glycine 0 C--N 1.355 1.629 0 N-CA-C 109.211 -1.556 . . . . 0.0 109.211 -177.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.25 -21.66 33.28 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 127.126 2.17 . . . . 0.0 112.359 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -104.74 16.02 26.81 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 129.641 3.177 . . . . 0.0 111.245 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.87 162.42 28.95 Favored Pre-proline 0 C--N 1.363 1.153 0 C-N-CA 124.729 1.211 . . . . 0.0 110.874 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -64.29 147.14 90.98 Favored 'Trans proline' 0 C--N 1.363 1.318 0 C-N-CA 124.249 3.299 . . . . 0.0 117.842 -167.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -87.04 137.41 33.14 Favored Pre-proline 0 C--N 1.35 0.595 0 C-N-CA 128.731 2.812 . . . . 0.0 111.021 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -75.84 148.22 89.8 Favored 'Cis proline' 0 C--N 1.363 1.314 0 CA-C-N 123.983 2.458 . . . . 0.0 113.447 -0.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.627 ' HB2' ' HB3' ' A' ' 30' ' ' GLN . 2.1 p90 -169.68 166.14 9.91 Favored 'General case' 0 CA--C 1.579 2.084 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 -175.171 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.422 HG13 ' HA ' ' A' ' 31' ' ' VAL . 2.4 p -138.97 135.05 42.53 Favored 'Isoleucine or valine' 0 C--N 1.407 3.076 0 N-CA-C 117.736 2.495 . . . . 0.0 117.736 -176.264 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.1 m -115.15 140.41 36.61 Favored 'Isoleucine or valine' 0 C--N 1.36 1.031 0 O-C-N 119.359 -2.088 . . . . 0.0 110.543 171.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 52.1 mt -96.44 138.96 20.32 Favored 'Isoleucine or valine' 0 C--N 1.366 1.293 0 C-N-CA 126.715 2.006 . . . . 0.0 109.958 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 179.24 -124.85 0.93 Allowed Glycine 0 C--N 1.365 2.139 0 C-N-CA 124.762 1.172 . . . . 0.0 114.44 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -145.14 162.14 37.78 Favored 'General case' 0 C--N 1.368 1.412 0 C-N-CA 127.219 2.207 . . . . 0.0 108.589 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 . . . . . 0 C--N 1.362 1.141 0 C-N-CA 125.087 1.355 . . . . 0.0 110.682 -179.463 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.447 -0.587 0 CA-C-O 121.372 0.606 . . . . 0.0 110.139 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.568 HG21 ' CD2' ' A' ' 10' ' ' LEU . 4.2 mp -123.25 131.65 72.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 C-N-CA 131.191 3.796 . . . . 0.0 102.741 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.2 m -131.54 136.11 47.59 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 118.888 -2.383 . . . . 0.0 109.229 -176.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.7 ttt -145.93 126.71 14.38 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 124.632 1.173 . . . . 0.0 110.278 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -116.73 151.06 37.18 Favored 'General case' 0 C--N 1.361 1.076 0 CA-C-O 122.74 1.257 . . . . 0.0 108.281 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.456 ' CZ ' HD11 ' A' ' 90' ' ' LEU . 1.2 m-85 -129.09 133.97 47.89 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 128.169 2.587 . . . . 0.0 105.729 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -126.21 119.13 26.68 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 125.462 1.505 . . . . 0.0 107.107 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.1 t -120.72 128.65 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.062 0 C-N-CA 124.906 1.282 . . . . 0.0 109.274 -170.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -122.19 106.63 11.31 Favored 'General case' 0 C--N 1.362 1.147 0 N-CA-C 106.86 -1.534 . . . . 0.0 106.86 173.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -85.91 -53.51 2.99 Favored Glycine 0 C--N 1.364 2.105 0 C-N-CA 126.831 2.158 . . . . 0.0 109.749 176.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.6 40.18 15.94 Favored Glycine 0 C--N 1.365 2.162 0 C-N-CA 126.39 1.948 . . . . 0.0 116.034 175.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.6 p -127.64 -119.52 0.25 Allowed 'General case' 0 C--N 1.358 0.973 0 CA-C-N 118.54 1.17 . . . . 0.0 111.162 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 p -122.39 168.92 11.49 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 127.019 2.127 . . . . 0.0 111.204 -172.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.05 -36.08 37.92 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 131.009 3.724 . . . . 0.0 119.26 -166.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.19 -35.64 78.31 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 127.787 2.435 . . . . 0.0 114.463 175.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -71.03 -33.08 69.98 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 126.691 1.996 . . . . 0.0 113.265 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.57 78.51 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 126.369 1.868 . . . . 0.0 113.686 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -77.45 -33.94 54.58 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 124.845 1.258 . . . . 0.0 112.309 172.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -66.42 -46.0 77.98 Favored 'General case' 0 C--N 1.372 1.582 0 C-N-CA 126.43 1.892 . . . . 0.0 112.812 171.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.7 pt -65.75 -42.76 93.12 Favored 'Isoleucine or valine' 0 C--N 1.373 1.596 0 CA-C-N 121.255 1.843 . . . . 0.0 113.838 173.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . 0.346 68.6 p -68.59 -44.04 75.21 Favored 'General case' 0 C--N 1.376 1.753 0 C-N-CA 125.965 1.706 . . . . 0.0 113.853 175.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.9 t -68.2 -36.16 79.13 Favored 'General case' 0 C--N 1.371 1.531 0 O-C-N 119.956 -1.715 . . . . 0.0 113.105 172.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -66.42 -42.94 87.02 Favored 'General case' 0 C--N 1.371 1.502 0 C-N-CA 125.048 1.339 . . . . 0.0 112.681 174.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.351 0.7 OUTLIER -64.64 -43.2 96.67 Favored 'Isoleucine or valine' 0 C--N 1.382 2.016 0 CA-C-N 120.375 1.443 . . . . 0.0 113.877 173.116 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.41 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 10.5 mp -71.54 -36.8 71.11 Favored 'General case' 0 C--N 1.378 1.844 0 O-C-N 119.233 -2.167 . . . . 0.0 113.016 174.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.31 -34.3 75.01 Favored 'General case' 0 C--N 1.38 1.908 0 C-N-CA 126.362 1.865 . . . . 0.0 112.28 172.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.44 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -67.25 -51.67 50.2 Favored 'General case' 0 C--N 1.372 1.567 0 CA-C-O 122.055 0.931 . . . . 0.0 111.691 167.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.456 HD11 ' CZ ' ' A' ' 68' ' ' PHE . 4.3 mp -49.76 -30.15 8.98 Favored 'General case' 0 C--N 1.374 1.659 0 C-N-CA 128.939 2.895 . . . . 0.0 118.05 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.352 0.2 OUTLIER -117.97 9.53 12.83 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 124.921 1.289 . . . . 0.0 112.039 169.347 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.44 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -71.61 -49.86 36.25 Favored 'General case' 0 C--N 1.372 1.572 0 O-C-N 119.02 -2.3 . . . . 0.0 107.578 176.58 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.491 ' HG2' ' HB3' ' A' ' 17' ' ' ASN 0.348 5.7 ptpt -115.52 122.31 33.14 Favored Pre-proline 0 C--N 1.356 0.89 0 N-CA-C 104.641 -2.355 . . . . 0.0 104.641 171.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -62.11 147.83 94.33 Favored 'Trans proline' 0 C--N 1.37 1.688 0 C-N-CA 124.73 3.62 . . . . 0.0 115.109 -173.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 60.8 mt -83.22 107.79 16.01 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-O 123.949 1.833 . . . . 0.0 115.542 -172.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 46.3 ttm -143.62 153.48 42.57 Favored 'General case' 0 N--CA 1.424 -1.731 0 N-CA-C 105.19 -2.152 . . . . 0.0 105.19 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -133.49 145.83 50.54 Favored 'General case' 0 N--CA 1.442 -0.863 1 C-N-CA 131.9 4.08 . . . . 0.0 101.167 178.025 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -49.64 77.59 0.0 OUTLIER 'General case' 0 C--N 1.349 0.58 1 C-N-CA 133.45 4.7 . . . . 0.0 117.157 -173.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 106.96 -6.4 37.27 Favored Glycine 0 C--N 1.353 1.512 0 C-N-CA 127.61 2.529 . . . . 0.0 112.651 -175.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -122.35 125.47 46.01 Favored 'General case' 0 C--N 1.367 1.356 0 CA-C-N 118.708 1.254 . . . . 0.0 114.262 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.1 m -115.3 144.02 44.39 Favored 'General case' 0 C--N 1.364 1.202 0 O-C-N 120.003 -1.686 . . . . 0.0 110.261 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.22 143.72 27.2 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 129.972 3.309 . . . . 0.0 104.319 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 37.7 t -114.99 139.67 40.05 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 C-N-CA 126.683 1.993 . . . . 0.0 109.008 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.62 108.82 14.59 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 125.029 1.332 . . . . 0.0 109.37 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? . . . . . 0 C--N 1.351 0.641 0 C-N-CA 125.651 1.58 . . . . 0.0 107.6 -170.096 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 54.1 m170 . . . . . 0 N--CA 1.448 -0.529 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -122.18 124.26 5.68 Favored Glycine 0 C--N 1.357 1.716 0 N-CA-C 108.002 -2.039 . . . . 0.0 108.002 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -116.22 118.76 59.84 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 N-CA-C 102.884 -3.006 . . . . 0.0 102.884 177.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.8 127.13 75.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 -173.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -123.49 120.28 32.45 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 18.0 t -125.47 141.61 44.81 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 CA-C-O 122.87 1.319 . . . . 0.0 108.001 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -132.54 140.25 48.22 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 126.432 1.893 . . . . 0.0 106.051 175.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -123.83 139.73 53.68 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 102.581 -3.118 . . . . 0.0 102.581 -176.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 52.5 m -122.77 137.77 54.83 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 121.241 0.543 . . . . 0.0 109.815 -172.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.1 pt . . . . . 0 C--N 1.361 1.095 0 N-CA-C 100.833 -3.765 . . . . 0.0 100.833 171.567 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.5 tp . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 122.434 1.112 . . . . 0.0 111.735 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.71 -35.07 68.09 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 129.132 2.973 . . . . 0.0 114.563 174.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 63.9 m -65.89 -48.2 72.28 Favored 'General case' 0 C--N 1.376 1.722 0 C-N-CA 126.062 1.745 . . . . 0.0 112.48 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.889 7.2 tpp85 -74.55 -37.03 63.11 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 118.631 -2.543 . . . . 0.0 117.576 170.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.422 ' HB1' ' CD1' ' A' ' 97' ' ' PHE . . . -54.85 -23.78 20.08 Favored 'General case' 0 CA--C 1.558 1.266 0 O-C-N 118.593 -2.567 . . . . 0.0 115.447 169.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.729 HD23 HG21 ' A' ' 64' ' ' ILE . 4.3 tp -60.11 -37.29 79.56 Favored 'General case' 0 C--N 1.375 1.681 0 C-N-CA 127.211 2.204 . . . . 0.0 112.505 163.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.28 -38.01 81.26 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 127.183 2.193 . . . . 0.0 110.251 176.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.464 0.0 OUTLIER -67.29 -30.76 70.7 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 116.427 2.01 . . . . 0.0 116.427 166.128 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.13 -33.83 68.1 Favored 'General case' 0 C--N 1.366 1.31 0 O-C-N 119.544 -1.972 . . . . 0.0 113.313 172.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.4 m -71.3 -34.87 71.01 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 128.709 2.804 . . . . 0.0 112.08 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.4 t -68.66 -31.21 49.99 Favored 'Isoleucine or valine' 0 C--N 1.37 1.46 0 C-N-CA 126.509 1.924 . . . . 0.0 109.157 168.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.409 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 10.8 tt0 -67.22 -31.81 72.43 Favored 'General case' 0 C--N 1.372 1.587 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 169.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.419 ' HA ' ' HG2' ' A' ' 93' ' ' LYS . 1.4 m120 -59.77 -49.92 75.83 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 125.435 1.494 . . . . 0.0 113.131 161.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.5 mp -55.93 -37.3 68.78 Favored 'General case' 0 C--N 1.369 1.446 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.409 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 10.8 pt-20 -90.18 -15.32 31.71 Favored 'General case' 0 C--N 1.369 1.417 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 173.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -90.95 -25.38 19.79 Favored 'General case' 0 C--N 1.381 1.971 0 CA-C-N 121.524 1.965 . . . . 0.0 110.805 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -75.91 103.34 5.94 Favored 'General case' 0 C--N 1.364 1.206 0 CA-C-O 122.931 1.348 . . . . 0.0 112.576 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -40.0 -49.44 5.99 Favored Pre-proline 0 C--N 1.364 1.199 1 C-N-CA 132.324 4.249 . . . . 0.0 117.864 -172.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.94 -22.85 62.4 Favored 'Trans proline' 0 C--N 1.358 1.037 0 C-N-CA 124.686 3.59 . . . . 0.0 114.808 173.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.8 mt -69.35 -20.97 63.84 Favored 'General case' 0 C--N 1.373 1.627 0 CA-C-N 121.851 2.114 . . . . 0.0 114.381 177.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 59.4 mtt -64.7 -29.77 70.77 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 128.127 2.571 . . . . 0.0 113.157 172.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -95.21 -30.14 14.15 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 128.169 2.588 . . . . 0.0 112.377 176.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.5 tpp -88.25 -31.05 19.23 Favored 'General case' 0 C--N 1.362 1.112 0 N-CA-C 119.028 2.973 . . . . 0.0 119.028 -173.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.672 HG23 ' HA ' ' A' ' 43' ' ' TYR . 2.2 p -131.03 147.15 33.06 Favored 'Isoleucine or valine' 0 C--N 1.367 1.347 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.25 8.9 t-20 -99.68 -27.18 13.79 Favored 'General case' 0 C--N 1.361 1.098 0 CA-C-O 124.708 2.194 . . . . 0.0 111.77 173.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.439 ' H ' HG22 ' A' ' 28' ' ' VAL 0.453 8.5 mm100 -120.74 39.91 3.66 Favored 'General case' 0 N--CA 1.423 -1.81 1 C-N-CA 133.152 4.581 . . . . 0.0 116.284 -152.101 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 p -87.63 110.05 20.25 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 CA-C-O 124.724 2.202 . . . . 0.0 107.032 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.0 t -142.02 149.02 39.44 Favored 'General case' 0 C--N 1.348 0.5 0 CA-C-N 112.315 -2.22 . . . . 0.0 109.428 -169.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -84.34 53.35 2.61 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -176.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.639 93.2 p 110.59 -60.65 0.0 OUTLIER Pre-proline 0 C--N 1.354 0.795 0 C-N-CA 128.677 2.791 . . . . 0.0 114.207 178.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -70.11 148.14 62.12 Favored 'Trans proline' 0 C--N 1.361 1.215 0 CA-C-N 127.444 3.694 . . . . 0.0 113.91 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.64 26.1 5.73 Favored Glycine 0 C--N 1.36 1.872 0 CA-C-N 119.221 0.919 . . . . 0.0 111.081 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -20.3 62.33 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 130.81 3.644 . . . . 0.0 113.669 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -106.46 15.33 26.09 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 127.735 2.414 . . . . 0.0 112.245 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.2 169.71 8.28 Favored Pre-proline 0 C--N 1.365 1.245 0 CA-C-O 117.082 -1.437 . . . . 0.0 111.536 -177.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.58 143.83 93.84 Favored 'Trans proline' 0 C--N 1.366 1.466 0 C-N-CA 125.208 3.939 . . . . 0.0 120.963 -168.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -91.26 137.8 26.02 Favored Pre-proline 0 C--N 1.356 0.886 0 C-N-CA 129.402 3.081 . . . . 0.0 112.009 -176.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.2 148.58 92.27 Favored 'Cis proline' 0 C--N 1.365 1.432 0 CA-C-N 123.916 2.434 . . . . 0.0 113.14 -3.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.672 ' HA ' HG23 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -171.46 167.15 6.81 Favored 'General case' 0 C--N 1.368 1.383 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -173.852 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.541 HG12 HG21 ' A' ' 28' ' ' VAL . 12.3 p -138.87 135.23 42.83 Favored 'Isoleucine or valine' 0 C--N 1.395 2.574 0 N-CA-C 117.523 2.416 . . . . 0.0 117.523 -176.147 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.42 HG22 ' CH2' ' A' ' 71' ' ' TRP . 18.1 m -113.05 134.76 54.68 Favored 'Isoleucine or valine' 0 C--N 1.366 1.309 0 O-C-N 120.198 -1.564 . . . . 0.0 108.674 168.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.9 mm -88.05 135.02 26.49 Favored 'Isoleucine or valine' 0 C--N 1.366 1.31 0 C-N-CA 127.262 2.225 . . . . 0.0 107.246 175.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -165.59 -142.33 3.39 Favored Glycine 0 C--N 1.347 1.192 0 O-C-N 120.236 -1.54 . . . . 0.0 112.389 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -145.33 144.22 30.59 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 125.172 1.389 . . . . 0.0 110.739 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? . . . . . 0 C--N 1.362 1.133 0 C-N-CA 127.453 2.301 . . . . 0.0 108.024 176.687 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.0 m120 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 122.877 1.322 . . . . 0.0 108.503 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.729 HG21 HD23 ' A' ' 10' ' ' LEU . 4.4 mp -122.06 127.02 75.19 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 N-CA-C 100.741 -3.8 . . . . 0.0 100.741 174.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.0 t -129.96 131.6 46.0 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.2 ttt -138.58 141.52 39.2 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 127.033 2.133 . . . . 0.0 107.984 -173.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.35 163.16 28.47 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-O 122.701 1.239 . . . . 0.0 109.352 177.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -135.55 141.86 45.28 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 126.447 1.899 . . . . 0.0 106.523 173.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -113.3 119.06 36.38 Favored 'General case' 0 C--N 1.363 1.184 0 N-CA-C 101.092 -3.67 . . . . 0.0 101.092 173.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.0 t -123.37 129.35 74.83 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.24 0 N-CA-C 104.535 -2.395 . . . . 0.0 104.535 -169.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.42 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -124.41 121.08 33.93 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 176.784 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.67 140.21 14.79 Favored Glycine 0 C--N 1.362 2.0 0 C-N-CA 125.109 1.338 . . . . 0.0 113.286 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -126.28 179.16 16.41 Favored Glycine 0 C--N 1.355 1.636 0 C-N-CA 126.398 1.951 . . . . 0.0 108.496 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.294 7.5 m 87.12 -81.51 0.01 OUTLIER 'General case' 0 C--N 1.359 0.981 0 C-N-CA 129.181 2.992 . . . . 0.0 110.424 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.0 p -144.12 172.76 12.45 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -59.23 -34.8 72.64 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 129.374 3.07 . . . . 0.0 116.32 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.7 -36.23 67.81 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 127.866 2.466 . . . . 0.0 113.545 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -71.54 -33.75 69.41 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.625 1.97 . . . . 0.0 113.366 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.04 -40.59 78.49 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 128.659 2.783 . . . . 0.0 112.898 169.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -66.31 -42.64 87.99 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 126.873 2.069 . . . . 0.0 111.992 175.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -58.72 -48.19 82.01 Favored 'General case' 0 C--N 1.377 1.784 0 C-N-CA 128.862 2.865 . . . . 0.0 112.956 172.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.284 7.1 pt -58.85 -40.7 80.74 Favored 'Isoleucine or valine' 0 C--N 1.378 1.829 0 CA-C-N 121.858 2.117 . . . . 0.0 113.496 172.185 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . 0.269 49.7 p -64.56 -46.73 81.52 Favored 'General case' 0 C--N 1.378 1.841 0 O-C-N 120.395 -1.441 . . . . 0.0 114.722 171.453 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.8 p -68.31 -39.13 82.12 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 126.147 1.779 . . . . 0.0 115.125 176.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 65.7 mmt-85 -71.41 -34.17 70.1 Favored 'General case' 0 C--N 1.378 1.822 0 C-N-CA 125.417 1.487 . . . . 0.0 112.84 173.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.415 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 46.8 t -67.51 -49.46 70.79 Favored 'Isoleucine or valine' 0 C--N 1.38 1.901 0 O-C-N 120.471 -1.393 . . . . 0.0 112.523 173.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.84 -40.33 97.11 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 119.598 -1.938 . . . . 0.0 113.187 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -62.25 -37.85 87.02 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 126.862 2.065 . . . . 0.0 112.679 170.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.517 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -62.3 -50.02 73.33 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 125.817 1.647 . . . . 0.0 112.131 171.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 86' ' ' VAL . 45.8 mt -49.45 -47.36 48.33 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 126.914 2.086 . . . . 0.0 115.401 177.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.466 0.2 OUTLIER -97.96 9.3 43.11 Favored 'General case' 0 C--N 1.375 1.678 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 167.511 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.517 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 0.1 OUTLIER -71.3 -54.83 9.49 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 118.109 -2.869 . . . . 0.0 108.782 175.02 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.419 ' HG2' ' HA ' ' A' ' 17' ' ' ASN 0.259 12.5 ptpt -111.71 146.82 35.49 Favored Pre-proline 0 C--N 1.369 1.422 0 C-N-CA 117.759 -1.576 . . . . 0.0 112.343 -178.246 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.34 125.68 10.97 Favored 'Trans proline' 0 C--N 1.369 1.627 0 C-N-CA 124.17 3.246 . . . . 0.0 111.318 -176.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.36 107.77 4.48 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 124.996 1.318 . . . . 0.0 112.109 -178.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 52.4 ttm -143.92 142.06 30.57 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 125.247 1.419 . . . . 0.0 108.02 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.422 ' CD1' ' HB1' ' A' ' 9' ' ' ALA . 46.4 t80 -136.97 111.91 8.91 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 104.38 -2.452 . . . . 0.0 104.38 176.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 59.31 28.58 17.95 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 129.775 3.23 . . . . 0.0 116.076 171.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.07 -0.71 64.41 Favored Glycine 0 C--N 1.354 1.534 0 C-N-CA 126.828 2.156 . . . . 0.0 113.009 -172.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -100.96 125.15 47.54 Favored 'General case' 0 C--N 1.364 1.198 0 CA-C-N 120.483 2.141 . . . . 0.0 110.302 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.2 p -97.82 144.09 27.77 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 128.328 2.651 . . . . 0.0 114.313 -175.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.96 140.51 38.28 Favored 'General case' 0 C--N 1.359 1.016 0 N-CA-C 105.198 -2.149 . . . . 0.0 105.198 177.025 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.2 t -106.62 119.13 55.61 Favored 'Isoleucine or valine' 0 C--N 1.36 1.028 0 C-N-CA 125.888 1.675 . . . . 0.0 109.407 -169.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.26 138.06 35.78 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 116.654 2.094 . . . . 0.0 116.654 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.1 tttp . . . . . 0 N--CA 1.441 -0.924 0 N-CA-C 101.254 -3.61 . . . . 0.0 101.254 166.943 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 . . . . . 0 N--CA 1.469 0.479 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -132.55 168.13 22.84 Favored Glycine 0 C--N 1.359 1.808 0 CA-C-O 122.392 0.995 . . . . 0.0 114.147 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 7.0 tt -126.6 140.18 49.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 N-CA-C 104.032 -2.581 . . . . 0.0 104.032 171.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 11.7 tt -140.54 138.28 35.98 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -112.13 141.02 46.33 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 126.313 1.845 . . . . 0.0 111.164 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.9 p -123.36 142.01 41.57 Favored 'Isoleucine or valine' 0 C--N 1.363 1.155 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -126.55 140.31 52.55 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 125.716 1.606 . . . . 0.0 109.554 -177.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.532 ' CG ' HD21 ' A' ' 10' ' ' LEU . 8.1 m-85 -131.1 141.42 50.15 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 119.578 -1.951 . . . . 0.0 107.009 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.1 p -111.64 145.08 39.85 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 128.458 2.703 . . . . 0.0 109.252 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 16.3 pt . . . . . 0 C--N 1.365 1.27 0 O-C-N 120.478 -1.388 . . . . 0.0 113.906 176.557 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.4 tp . . . . . 0 N--CA 1.465 0.323 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.4 -40.6 81.23 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 126.154 1.782 . . . . 0.0 113.823 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.437 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 59.3 m -58.56 -47.4 84.35 Favored 'General case' 0 C--N 1.381 1.941 0 C-N-CA 125.624 1.57 . . . . 0.0 113.304 176.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.652 5.6 tpt180 -73.37 -36.59 66.12 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 117.615 2.45 . . . . 0.0 117.615 169.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.15 -22.47 4.28 Favored 'General case' 0 CA--C 1.566 1.559 0 O-C-N 117.608 -3.183 . . . . 0.0 115.316 168.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.505 HD23 HG21 ' A' ' 64' ' ' ILE . 7.4 tp -55.58 -38.79 69.85 Favored 'General case' 0 C--N 1.377 1.785 0 C-N-CA 126.771 2.028 . . . . 0.0 113.664 160.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -67.67 -36.9 81.56 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 129.068 2.947 . . . . 0.0 109.84 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -64.57 -35.64 81.65 Favored 'General case' 0 CA--C 1.559 1.305 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 166.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.29 -33.0 67.09 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.709 2.404 . . . . 0.0 113.199 172.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 48.6 m -70.98 -39.73 72.31 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 129.398 3.079 . . . . 0.0 110.03 173.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 t -66.0 -31.57 54.28 Favored 'Isoleucine or valine' 0 C--N 1.379 1.88 0 C-N-CA 125.847 1.659 . . . . 0.0 110.875 168.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.429 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 23.8 tt0 -68.58 -32.78 72.93 Favored 'General case' 0 C--N 1.372 1.583 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 170.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -62.27 -47.29 84.99 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 126.289 1.836 . . . . 0.0 112.515 162.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.9 mt -62.94 -32.59 73.94 Favored 'General case' 0 C--N 1.364 1.207 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 175.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.429 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 12.3 pt-20 -88.35 -23.18 23.47 Favored 'General case' 0 C--N 1.367 1.356 0 CA-C-O 118.484 -0.77 . . . . 0.0 112.512 172.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 t -87.28 -24.87 24.21 Favored 'General case' 0 C--N 1.385 2.112 0 CA-C-N 121.153 1.797 . . . . 0.0 112.685 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.407 ' HB2' ' CD2' ' A' ' 92' ' ' TYR . 31.0 t80 -80.91 94.88 6.58 Favored 'General case' 0 C--N 1.368 1.411 0 O-C-N 120.339 -1.476 . . . . 0.0 111.078 177.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.437 4.7 pt20 -40.63 -40.01 1.9 Allowed Pre-proline 0 C--N 1.363 1.154 0 N-CA-C 121.241 3.793 . . . . 0.0 121.241 -174.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -64.57 -20.55 65.72 Favored 'Trans proline' 0 CA--C 1.552 1.4 0 CA-C-N 126.609 3.396 . . . . 0.0 115.649 169.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.9 mt -77.19 -26.99 53.45 Favored 'General case' 0 C--N 1.373 1.62 0 CA-C-N 121.68 2.036 . . . . 0.0 112.995 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 82.4 mtp -62.71 -29.38 70.62 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 128.678 2.791 . . . . 0.0 113.942 176.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -94.9 -8.94 35.72 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 129.2 3.0 . . . . 0.0 111.588 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -99.75 -56.51 2.37 Favored 'General case' 0 C--N 1.36 1.065 0 C-N-CA 126.591 1.956 . . . . 0.0 113.01 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.534 HG23 ' HA ' ' A' ' 43' ' ' TYR . 2.5 p -121.12 144.38 30.34 Favored 'Isoleucine or valine' 0 C--N 1.359 1.01 0 O-C-N 119.192 -2.192 . . . . 0.0 109.304 -173.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.303 13.2 t-20 -102.21 -21.47 14.36 Favored 'General case' 0 C--N 1.35 0.607 1 C-N-CA 131.784 4.034 . . . . 0.0 114.202 -177.862 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.501 ' H ' HG22 ' A' ' 28' ' ' VAL . 6.2 mm-40 -136.02 39.38 2.75 Favored 'General case' 0 N--CA 1.432 -1.338 1 CA-C-N 108.341 -4.027 . . . . 0.0 110.63 -148.001 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.1 p -91.62 108.6 20.18 Favored 'Isoleucine or valine' 0 C--N 1.368 1.396 0 CA-C-O 123.248 1.499 . . . . 0.0 109.514 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 t -146.69 170.14 17.57 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 125.094 1.357 . . . . 0.0 112.423 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -91.36 96.86 10.75 Favored 'General case' 0 C--N 1.363 1.168 0 O-C-N 119.792 -1.817 . . . . 0.0 112.477 177.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.659 85.4 p 88.19 -70.01 0.0 OUTLIER Pre-proline 0 C--N 1.36 1.06 0 N-CA-C 119.087 2.995 . . . . 0.0 119.087 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -68.59 161.45 45.11 Favored 'Trans proline' 0 C--N 1.374 1.903 1 CA-C-N 128.937 4.227 . . . . 0.0 116.129 -177.21 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.12 -3.43 35.35 Favored Glycine 0 C--N 1.358 1.756 0 O-C-N 121.295 -0.878 . . . . 0.0 112.13 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.67 -30.43 5.49 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 129.844 3.258 . . . . 0.0 117.92 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -105.8 16.38 25.32 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 129.573 3.149 . . . . 0.0 112.721 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.64 163.12 25.39 Favored Pre-proline 0 C--N 1.362 1.12 0 O-C-N 120.134 -1.604 . . . . 0.0 109.607 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -64.79 135.42 44.72 Favored 'Trans proline' 0 C--N 1.361 1.22 0 C-N-CA 124.701 3.601 . . . . 0.0 116.429 -174.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -71.28 139.33 84.48 Favored Pre-proline 0 C--N 1.357 0.933 1 C-N-CA 135.195 5.398 . . . . 0.0 112.252 -175.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -83.75 148.93 60.01 Favored 'Cis proline' 0 C--N 1.366 1.46 0 CA-C-N 124.917 2.792 . . . . 0.0 113.548 1.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.534 ' HA ' HG23 ' A' ' 28' ' ' VAL 0.272 14.1 p90 -171.57 168.28 6.4 Favored 'General case' 0 CA--C 1.57 1.749 0 C-N-CA 125.081 1.353 . . . . 0.0 113.675 -176.77 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.0 t -135.36 131.55 51.72 Favored 'Isoleucine or valine' 0 C--N 1.397 2.661 0 CA-C-O 123.798 1.761 . . . . 0.0 114.714 -172.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.4 m -116.54 132.48 66.05 Favored 'Isoleucine or valine' 0 C--N 1.359 0.999 0 O-C-N 119.797 -1.814 . . . . 0.0 108.066 169.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.5 mt -92.92 134.09 31.97 Favored 'Isoleucine or valine' 0 C--N 1.364 1.2 0 C-N-CA 126.896 2.079 . . . . 0.0 108.205 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.24 -139.05 2.86 Favored Glycine 0 C--N 1.354 1.563 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -142.76 142.86 32.0 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 125.938 1.695 . . . . 0.0 110.646 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 C--N 1.364 1.223 0 N-CA-C 102.973 -2.973 . . . . 0.0 102.973 171.301 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 p30 . . . . . 0 N--CA 1.466 0.337 0 N-CA-C 102.073 -3.306 . . . . 0.0 102.073 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.505 HG21 HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -137.37 122.12 24.2 Favored 'Isoleucine or valine' 0 C--N 1.359 1.021 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 -174.259 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.6 p -122.83 117.35 25.42 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 42.7 mtp -133.53 156.78 47.18 Favored 'General case' 0 C--N 1.365 1.273 0 CA-C-O 122.471 1.129 . . . . 0.0 112.322 -172.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -145.69 148.45 33.05 Favored 'General case' 0 C--N 1.36 1.055 0 CA-C-O 121.976 0.893 . . . . 0.0 109.709 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -115.74 135.7 53.78 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.696 -1.964 . . . . 0.0 105.696 171.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -113.42 119.39 37.45 Favored 'General case' 0 C--N 1.365 1.259 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 170.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.1 t -123.44 131.34 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.508 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -169.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -124.1 121.14 34.38 Favored 'General case' 0 C--N 1.363 1.192 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 172.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.96 -102.32 1.95 Allowed Glycine 0 C--N 1.367 2.251 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.64 75.93 1.23 Allowed Glycine 0 C--N 1.362 1.986 0 N-CA-C 116.032 1.173 . . . . 0.0 116.032 172.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 100.0 m -161.64 -74.08 0.06 Allowed 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 105.423 -2.065 . . . . 0.0 105.423 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 m -100.9 153.63 19.34 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 106.206 -1.776 . . . . 0.0 106.206 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -66.53 -45.77 78.35 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 126.258 1.823 . . . . 0.0 113.772 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.24 -33.34 58.21 Favored 'General case' 0 C--N 1.365 1.249 1 C-N-CA 133.758 4.823 . . . . 0.0 114.171 175.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -56.62 -32.61 65.47 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 130.454 3.501 . . . . 0.0 113.915 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.69 -38.81 92.51 Favored 'General case' 0 C--N 1.37 1.494 0 C-N-CA 126.123 1.769 . . . . 0.0 113.882 173.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -74.55 -36.11 63.11 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 126.48 1.912 . . . . 0.0 111.097 171.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -66.9 -47.66 71.11 Favored 'General case' 0 C--N 1.369 1.453 0 N-CA-C 114.538 1.311 . . . . 0.0 114.538 172.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.263 1.8 pt -66.85 -40.93 86.95 Favored 'Isoleucine or valine' 0 C--N 1.372 1.572 0 C-N-CA 125.539 1.535 . . . . 0.0 114.877 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.74 -36.84 78.89 Favored 'General case' 0 C--N 1.379 1.859 0 C-N-CA 124.767 1.227 . . . . 0.0 112.19 174.066 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.5 m -68.2 -43.82 77.23 Favored 'General case' 0 C--N 1.378 1.843 0 C-N-CA 126.431 1.892 . . . . 0.0 112.77 173.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -59.56 -46.42 88.96 Favored 'General case' 0 C--N 1.373 1.615 0 C-N-CA 128.203 2.601 . . . . 0.0 113.568 171.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.37 0.4 OUTLIER -65.47 -48.86 81.38 Favored 'Isoleucine or valine' 0 C--N 1.378 1.821 0 C-N-CA 125.137 1.375 . . . . 0.0 114.176 176.876 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.429 ' HA ' ' HB2' ' A' ' 90' ' ' LEU 0.399 0.0 OUTLIER -71.93 -32.26 67.16 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-N 121.979 2.172 . . . . 0.0 114.664 174.499 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -63.95 -40.54 96.65 Favored 'General case' 0 C--N 1.385 2.147 0 C-N-CA 125.913 1.685 . . . . 0.0 111.899 174.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.486 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -61.56 -53.72 52.59 Favored 'General case' 0 C--N 1.375 1.693 0 C-N-CA 126.223 1.809 . . . . 0.0 111.593 168.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.429 ' HB2' ' HA ' ' A' ' 87' ' ' LEU . 5.4 mp -49.43 -26.04 3.0 Favored 'General case' 0 C--N 1.368 1.378 0 N-CA-C 118.163 2.653 . . . . 0.0 118.163 177.021 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.616 1.3 m -123.17 10.34 9.34 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 165.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.486 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 0.1 OUTLIER -67.59 -58.11 5.28 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 128.421 2.688 . . . . 0.0 108.296 173.722 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.379 10.0 ptpt -108.48 134.22 20.32 Favored Pre-proline 0 C--N 1.371 1.52 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 176.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.92 137.0 28.61 Favored 'Trans proline' 0 C--N 1.366 1.452 0 C-N-CA 124.651 3.567 . . . . 0.0 112.408 -172.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.47 107.23 3.74 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 124.827 1.251 . . . . 0.0 113.83 -175.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 29.3 ttp -144.65 150.78 37.96 Favored 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 124.936 1.295 . . . . 0.0 109.007 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -142.5 107.35 4.89 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 105.97 -1.863 . . . . 0.0 105.97 170.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . 0.393 15.9 pt-20 60.41 -67.68 0.04 OUTLIER 'General case' 0 C--N 1.347 0.482 1 C-N-CA 134.604 5.162 . . . . 0.0 117.418 173.672 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.32 22.39 2.4 Favored Glycine 0 CA--C 1.493 -1.331 0 N-CA-C 107.302 -2.319 . . . . 0.0 107.302 176.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -122.57 125.27 45.36 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 123.59 0.756 . . . . 0.0 109.954 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.4 m -123.37 120.81 34.13 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -119.23 138.59 52.88 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 128.878 2.871 . . . . 0.0 106.905 -178.166 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.2 t -106.14 130.67 57.39 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 C-N-CA 128.071 2.548 . . . . 0.0 108.704 -171.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.19 138.23 35.84 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 -176.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.8 tttp . . . . . 0 N--CA 1.443 -0.792 0 C-N-CA 127.632 2.373 . . . . 0.0 107.827 176.672 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 28.4 t60 . . . . . 0 N--CA 1.447 -0.61 0 CA-C-O 121.637 0.732 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.38 148.13 18.82 Favored Glycine 0 C--N 1.357 1.742 0 C-N-CA 124.954 1.264 . . . . 0.0 109.966 173.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 17.0 tt -127.0 125.17 66.05 Favored 'Isoleucine or valine' 0 C--N 1.358 0.964 0 N-CA-C 105.272 -2.121 . . . . 0.0 105.272 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.0 mp -119.36 116.71 51.66 Favored 'Isoleucine or valine' 0 C--N 1.363 1.155 0 C-N-CA 125.542 1.537 . . . . 0.0 107.218 -177.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.54 128.18 54.71 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 124.966 1.306 . . . . 0.0 111.36 -177.014 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.35 136.32 51.2 Favored 'Isoleucine or valine' 0 C--N 1.359 1.01 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.86 139.59 50.06 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 126.736 2.014 . . . . 0.0 105.773 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -132.37 150.82 52.08 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 -175.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 86.8 m -137.73 143.98 41.47 Favored 'General case' 0 C--N 1.343 0.311 0 O-C-N 119.985 -1.697 . . . . 0.0 110.694 -174.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.0 tt . . . . . 0 C--N 1.365 1.247 0 C-N-CA 126.151 1.78 . . . . 0.0 107.699 176.316 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 CA--C 1.54 0.576 0 CA-C-O 122.63 1.205 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.38 -36.11 82.63 Favored 'General case' 0 C--N 1.37 1.478 0 C-N-CA 126.417 1.887 . . . . 0.0 114.165 174.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.4 m -59.14 -47.44 85.28 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 127.01 2.124 . . . . 0.0 113.897 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.711 4.2 tpt180 -73.27 -37.52 66.25 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 128.802 2.841 . . . . 0.0 116.363 172.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.53 -23.06 48.23 Favored 'General case' 0 C--N 1.369 1.449 0 O-C-N 117.702 -3.124 . . . . 0.0 114.314 166.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.664 HD23 HG12 ' A' ' 64' ' ' ILE 0.361 0.1 OUTLIER -64.72 -29.59 70.58 Favored 'General case' 0 C--N 1.372 1.575 0 O-C-N 120.022 -1.673 . . . . 0.0 114.513 161.696 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.367 8.5 pt20 -64.37 -37.9 89.15 Favored 'General case' 0 C--N 1.387 2.221 0 CA-C-N 122.961 2.619 . . . . 0.0 110.398 169.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.542 0.0 OUTLIER -65.27 -30.74 71.64 Favored 'General case' 0 C--N 1.384 2.098 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 167.458 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.42 -32.63 73.64 Favored 'General case' 0 C--N 1.367 1.345 0 C-N-CA 125.652 1.581 . . . . 0.0 115.172 166.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.251 18.1 p -69.37 -45.85 68.36 Favored 'General case' 0 C--N 1.382 1.979 0 C-N-CA 124.673 1.189 . . . . 0.0 110.39 172.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.589 35.8 m -62.64 -30.21 48.74 Favored 'Isoleucine or valine' 0 C--N 1.38 1.902 0 O-C-N 120.29 -1.506 . . . . 0.0 113.678 173.334 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -70.06 -39.42 75.69 Favored 'General case' 0 C--N 1.378 1.836 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 166.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.439 ' HB3' ' HG2' ' A' ' 93' ' ' LYS 0.498 14.9 p30 -70.17 -33.76 72.14 Favored 'General case' 0 C--N 1.363 1.179 0 O-C-N 118.923 -2.36 . . . . 0.0 114.071 171.032 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.33 -40.79 94.15 Favored 'General case' 0 C--N 1.373 1.625 0 C-N-CA 126.714 2.006 . . . . 0.0 112.799 169.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.52 -23.34 29.82 Favored 'General case' 0 C--N 1.377 1.783 0 O-C-N 121.197 -0.939 . . . . 0.0 113.382 177.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.434 ' HB3' ' HE2' ' A' ' 92' ' ' TYR . 4.6 t -80.36 -29.35 37.93 Favored 'General case' 0 C--N 1.372 1.544 0 O-C-N 119.576 -1.953 . . . . 0.0 110.123 177.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -75.53 104.32 6.03 Favored 'General case' 0 C--N 1.368 1.4 0 CA-C-O 123.061 1.41 . . . . 0.0 114.734 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -39.64 -55.56 3.42 Favored Pre-proline 0 C--N 1.363 1.182 1 C-N-CA 132.031 4.132 . . . . 0.0 118.691 -171.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -65.34 -19.58 61.77 Favored 'Trans proline' 0 C--N 1.361 1.205 0 C-N-CA 124.739 3.626 . . . . 0.0 115.36 173.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.1 mt -75.18 -26.97 59.45 Favored 'General case' 0 C--N 1.379 1.85 0 CA-C-N 123.31 2.777 . . . . 0.0 113.356 175.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 41.4 mtp -63.24 -29.25 70.62 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 128.459 2.704 . . . . 0.0 114.736 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -94.42 -13.91 25.77 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 128.265 2.626 . . . . 0.0 112.29 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 45.0 tpp -102.16 -42.19 6.14 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.252 1.821 . . . . 0.0 115.181 -176.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.645 HG23 ' HA ' ' A' ' 43' ' ' TYR . 2.2 p -120.83 144.81 28.56 Favored 'Isoleucine or valine' 0 C--N 1.361 1.075 0 CA-C-O 124.461 2.077 . . . . 0.0 107.458 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -101.35 -27.74 13.0 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 129.646 3.178 . . . . 0.0 112.761 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.55 86.5 mm-40 -119.11 39.77 3.47 Favored 'General case' 0 N--CA 1.44 -0.944 1 C-N-CA 133.796 4.838 . . . . 0.0 113.553 -161.025 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.8 p -87.64 108.59 18.52 Favored 'Isoleucine or valine' 0 C--N 1.37 1.463 0 CA-C-O 124.789 2.233 . . . . 0.0 107.013 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.454 HG23 HG12 ' A' ' 45' ' ' VAL . 3.7 t -142.12 157.32 45.03 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 112.312 -2.222 . . . . 0.0 109.705 -165.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -87.46 17.42 4.53 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 116.981 2.215 . . . . 0.0 116.981 -173.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.401 3.5 t 158.22 -67.9 0.0 OUTLIER Pre-proline 0 C--N 1.368 1.398 0 C-N-CA 129.463 3.105 . . . . 0.0 112.492 174.073 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.406 ' O ' HG21 ' A' ' 32' ' ' THR . 83.7 Cg_endo -73.66 136.88 24.1 Favored 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 123.757 2.972 . . . . 0.0 114.896 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.7 55.02 0.15 Allowed Glycine 0 C--N 1.366 2.209 0 N-CA-C 104.866 -3.294 . . . . 0.0 104.866 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.716 ' HD2' ' H ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -84.77 -9.28 58.34 Favored 'General case' 0 C--O 1.225 -0.195 0 C-N-CA 130.152 3.381 . . . . 0.0 112.44 -178.689 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -99.81 15.36 27.2 Favored 'General case' 0 CA--C 1.542 0.643 1 C-N-CA 131.952 4.101 . . . . 0.0 109.85 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 1.4 p30 -45.34 96.82 0.12 Allowed Pre-proline 0 CA--C 1.548 0.901 2 N-CA-C 125.477 5.362 . . . . 0.0 125.477 178.443 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -83.15 116.77 2.44 Favored 'Trans proline' 0 CA--C 1.557 1.669 0 CA-C-N 125.245 2.909 . . . . 0.0 107.245 159.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -79.99 149.66 70.51 Favored Pre-proline 0 CA--C 1.563 1.452 0 CA-C-N 120.428 1.467 . . . . 0.0 114.793 -171.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -71.54 153.03 96.73 Favored 'Cis proline' 0 C--N 1.363 1.312 0 CA-C-N 122.499 1.928 . . . . 0.0 114.035 3.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.645 ' HA ' HG23 ' A' ' 28' ' ' VAL 0.279 1.5 p90 -154.63 167.1 31.28 Favored 'General case' 0 C--O 1.251 1.136 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 179.272 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.7 t -137.78 125.97 31.69 Favored 'Isoleucine or valine' 0 C--N 1.402 2.87 0 CA-C-O 123.044 1.402 . . . . 0.0 114.737 -174.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.454 HG12 HG23 ' A' ' 32' ' ' THR . 16.2 m -117.68 143.81 27.27 Favored 'Isoleucine or valine' 0 C--N 1.364 1.217 0 O-C-N 120.458 -1.401 . . . . 0.0 110.511 170.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.0 mm -92.19 140.13 16.72 Favored 'Isoleucine or valine' 0 C--N 1.363 1.153 0 C-N-CA 126.529 1.932 . . . . 0.0 107.51 172.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.61 -150.82 7.97 Favored Glycine 0 C--N 1.352 1.459 0 O-C-N 120.875 -1.14 . . . . 0.0 111.626 -175.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -146.05 147.72 31.92 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 104.342 -2.466 . . . . 0.0 104.342 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 . . . . . 0 C--N 1.36 1.065 0 C-N-CA 124.293 1.037 . . . . 0.0 109.002 174.03 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.2 m120 . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 123.343 1.544 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.664 HG12 HD23 ' A' ' 10' ' ' LEU . 3.5 mp -139.85 124.03 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.821 0 N-CA-C 102.324 -3.213 . . . . 0.0 102.324 -177.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.5 m -127.29 123.59 36.77 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 103.144 -2.91 . . . . 0.0 103.144 171.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 33.3 ttm -138.43 155.63 48.3 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 125.841 1.657 . . . . 0.0 108.987 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -133.27 156.58 47.31 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 172.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -124.2 140.01 53.38 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.474 1.91 . . . . 0.0 106.561 175.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.42 ' CD2' ' N ' ' A' ' 69' ' ' HIS . 9.7 m-70 -119.01 118.33 31.19 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 103.374 -2.824 . . . . 0.0 103.374 174.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.7 m -121.29 121.24 64.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 N-CA-C 105.098 -2.186 . . . . 0.0 105.098 -174.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.441 ' CH2' HG22 ' A' ' 45' ' ' VAL . 4.5 m-90 -116.09 124.15 49.67 Favored 'General case' 0 C--N 1.366 1.325 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 -178.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -81.81 -85.89 0.73 Allowed Glycine 0 C--N 1.364 2.139 0 C-N-CA 124.117 0.865 . . . . 0.0 114.285 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 143.04 -45.3 0.91 Allowed Glycine 0 C--N 1.354 1.539 0 O-C-N 120.732 -1.451 . . . . 0.0 112.874 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.5 p -99.14 -98.21 0.23 Allowed 'General case' 0 C--N 1.352 0.687 0 C-N-CA 125.457 1.503 . . . . 0.0 114.589 -173.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 m -113.52 158.78 20.3 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 127.209 2.203 . . . . 0.0 108.476 -174.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -52.5 -35.5 53.08 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 129.057 2.943 . . . . 0.0 116.904 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.62 -35.56 72.65 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 127.753 2.421 . . . . 0.0 114.378 173.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -71.34 -36.8 71.67 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 126.152 1.781 . . . . 0.0 112.435 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.24 -39.19 78.64 Favored 'General case' 0 C--N 1.371 1.535 0 C-N-CA 128.606 2.763 . . . . 0.0 114.481 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -70.25 -40.71 74.26 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 126.789 2.035 . . . . 0.0 110.673 172.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.53 -49.16 78.86 Favored 'General case' 0 C--N 1.384 2.072 0 C-N-CA 128.555 2.742 . . . . 0.0 113.275 173.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.301 9.4 pt -59.95 -38.14 75.25 Favored 'Isoleucine or valine' 0 C--N 1.374 1.654 0 O-C-N 120.384 -1.447 . . . . 0.0 113.87 169.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.9 p -61.21 -42.39 98.52 Favored 'General case' 0 C--N 1.38 1.893 0 CA-C-N 120.259 1.39 . . . . 0.0 113.83 170.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.0 t -62.67 -49.38 75.34 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 129.596 3.158 . . . . 0.0 112.141 174.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -69.99 -35.96 74.81 Favored 'General case' 0 C--N 1.372 1.55 0 C-N-CA 125.2 1.4 . . . . 0.0 114.652 174.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.302 0.3 OUTLIER -69.34 -42.2 81.15 Favored 'Isoleucine or valine' 0 C--N 1.379 1.859 0 C-N-CA 126.463 1.905 . . . . 0.0 113.528 176.519 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.4 mp -71.83 -42.75 66.62 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 127.493 2.317 . . . . 0.0 112.276 173.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -62.46 -34.13 76.2 Favored 'General case' 0 C--N 1.375 1.687 0 C-N-CA 125.305 1.442 . . . . 0.0 112.645 173.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.43 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -66.37 -48.94 68.57 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 126.579 1.952 . . . . 0.0 112.03 170.233 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 tp -45.53 -45.57 13.48 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 129.146 2.978 . . . . 0.0 116.457 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.376 0.2 OUTLIER -106.96 9.61 30.65 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 125.002 1.321 . . . . 0.0 113.969 172.877 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.434 ' HE2' ' HB3' ' A' ' 20' ' ' SER . 0.0 OUTLIER -73.33 -52.4 14.03 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 119.418 -2.051 . . . . 0.0 107.089 176.716 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.439 ' HG2' ' HB3' ' A' ' 17' ' ' ASN 0.315 2.1 ptpt -116.4 117.13 38.78 Favored Pre-proline 0 C--N 1.36 1.034 0 N-CA-C 103.419 -2.808 . . . . 0.0 103.419 173.855 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -68.52 151.13 75.62 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 124.466 3.444 . . . . 0.0 113.473 -167.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.475 ' HB3' HD13 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -68.33 106.46 2.49 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 125.292 1.437 . . . . 0.0 112.502 -175.588 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 19.7 ttm -144.41 143.01 30.71 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 125.865 1.666 . . . . 0.0 110.332 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -151.41 107.86 3.47 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 71.79 -88.21 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.673 0 C-N-CA 131.55 3.94 . . . . 0.0 115.619 168.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -122.0 24.0 7.18 Favored Glycine 0 C--N 1.353 1.481 0 N-CA-C 108.361 -1.896 . . . . 0.0 108.361 172.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -125.48 134.9 51.88 Favored 'General case' 0 C--N 1.361 1.094 0 O-C-N 121.849 -0.795 . . . . 0.0 111.515 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 58.8 m -126.4 125.74 42.68 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 103.133 -2.914 . . . . 0.0 103.133 174.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.552 ' CD1' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -122.43 137.81 54.74 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 -176.491 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.6 t -105.91 132.85 51.92 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.764 0 C-N-CA 125.713 1.605 . . . . 0.0 107.349 -171.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.6 135.54 35.56 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 124.471 1.108 . . . . 0.0 111.133 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--N 1.352 0.702 0 O-C-N 120.788 -1.195 . . . . 0.0 112.927 -171.254 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -103.39 129.72 9.98 Favored Glycine 0 C--N 1.353 1.503 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -107.72 132.59 54.93 Favored 'Isoleucine or valine' 0 C--N 1.359 1.009 0 N-CA-C 105.688 -1.967 . . . . 0.0 105.688 178.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 28.4 mt -123.72 131.14 73.51 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 -177.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -116.69 126.07 52.64 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.64 136.07 59.07 Favored 'Isoleucine or valine' 0 C--N 1.365 1.252 0 CA-C-O 123.484 1.611 . . . . 0.0 112.306 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 91.3 mtm180 -115.98 132.88 56.52 Favored 'General case' 0 C--N 1.364 1.205 0 C-N-CA 126.797 2.039 . . . . 0.0 109.263 -177.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.464 ' HB2' HD13 ' A' ' 64' ' ' ILE . 0.6 OUTLIER -135.68 153.42 51.62 Favored 'General case' 0 C--N 1.359 1.003 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 18.9 m -140.9 139.21 34.32 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 124.24 1.016 . . . . 0.0 109.88 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.368 1.399 0 O-C-N 119.526 -1.984 . . . . 0.0 108.973 176.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 N--CA 1.456 -0.127 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.71 -37.39 82.2 Favored 'General case' 0 C--N 1.37 1.485 0 C-N-CA 126.636 1.974 . . . . 0.0 113.276 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.3 m -61.86 -46.37 89.72 Favored 'General case' 0 C--N 1.372 1.554 0 C-N-CA 126.666 1.986 . . . . 0.0 112.366 175.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.551 49.7 tpt85 -71.62 -37.37 70.91 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.534 1.533 . . . . 0.0 114.361 172.265 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.47 -23.06 5.5 Favored 'General case' 0 C--N 1.373 1.598 0 O-C-N 119.529 -1.982 . . . . 0.0 115.901 165.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -61.12 -37.08 81.52 Favored 'General case' 0 C--N 1.38 1.906 0 O-C-N 120.032 -1.667 . . . . 0.0 114.884 163.707 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.306 15.3 mt-30 -67.04 -36.86 83.02 Favored 'General case' 0 C--N 1.374 1.656 0 C-N-CA 127.08 2.152 . . . . 0.0 109.231 176.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -61.86 -33.29 73.91 Favored 'General case' 0 C--N 1.369 1.438 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 162.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.92 -36.22 69.89 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 126.777 2.031 . . . . 0.0 113.851 173.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.486 9.7 t -70.35 -32.72 70.54 Favored 'General case' 0 C--N 1.382 2.002 0 O-C-N 120.731 -1.23 . . . . 0.0 110.839 166.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.5 t -69.48 -32.49 53.17 Favored 'Isoleucine or valine' 0 C--N 1.371 1.527 0 O-C-N 118.344 -2.723 . . . . 0.0 114.002 168.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -70.81 -30.24 66.63 Favored 'General case' 0 C--N 1.365 1.266 0 O-C-N 119.894 -1.754 . . . . 0.0 115.548 172.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -69.82 -42.83 73.13 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 127.293 2.237 . . . . 0.0 112.126 170.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -31.22 71.92 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 126.329 1.852 . . . . 0.0 114.082 172.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.12 -22.6 33.31 Favored 'General case' 0 C--N 1.371 1.52 0 O-C-N 121.041 -1.037 . . . . 0.0 112.207 170.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.3 m -79.34 -31.6 43.08 Favored 'General case' 0 C--N 1.383 2.057 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -82.66 93.56 7.38 Favored 'General case' 0 C--N 1.366 1.323 0 CA-C-O 124.138 1.923 . . . . 0.0 114.45 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.357 16.7 pt20 -49.57 -37.8 26.3 Favored Pre-proline 0 C--N 1.36 1.056 0 C-N-CA 130.883 3.673 . . . . 0.0 119.052 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -60.84 -19.6 62.6 Favored 'Trans proline' 0 CA--C 1.547 1.133 0 C-N-CA 124.804 3.669 . . . . 0.0 115.454 168.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.7 -46.37 89.28 Favored 'General case' 0 C--N 1.387 2.239 0 CA-C-N 121.955 2.161 . . . . 0.0 113.102 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . 0.304 12.8 ptm -56.07 -27.43 53.47 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 128.611 2.764 . . . . 0.0 115.885 174.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -85.59 -22.17 28.15 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 125.999 1.72 . . . . 0.0 112.567 174.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.86 -40.62 8.43 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 126.735 2.014 . . . . 0.0 113.632 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.661 HG23 ' HA ' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -123.27 146.4 28.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 N-CA-C 102.141 -3.281 . . . . 0.0 102.141 176.849 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.303 8.0 t-20 -99.33 -21.88 15.83 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 127.023 2.129 . . . . 0.0 113.434 -175.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.496 6.2 mp0 -136.5 41.54 2.56 Favored 'General case' 0 CA--C 1.483 -1.598 1 C-N-CA 132.554 4.342 . . . . 0.0 112.101 -156.937 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.3 p -85.79 108.97 17.93 Favored 'Isoleucine or valine' 0 C--N 1.37 1.497 0 CA-C-O 125.48 2.562 . . . . 0.0 106.101 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.46 HG21 ' O ' ' A' ' 35' ' ' PRO . 8.8 t -146.75 167.14 24.58 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 111.649 -2.523 . . . . 0.0 110.588 -166.277 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -105.84 63.0 0.67 Allowed 'General case' 0 C--N 1.353 0.727 0 O-C-N 120.508 -1.37 . . . . 0.0 110.404 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.485 56.9 m 111.99 -73.25 0.0 OUTLIER Pre-proline 0 C--N 1.361 1.069 0 C-N-CA 128.726 2.81 . . . . 0.0 116.007 178.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.46 ' O ' HG21 ' A' ' 32' ' ' THR . 92.6 Cg_endo -72.89 137.51 27.01 Favored 'Trans proline' 0 C--N 1.363 1.306 0 CA-C-N 127.479 3.707 . . . . 0.0 112.382 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 145.4 -19.56 1.88 Allowed Glycine 0 C--N 1.364 2.137 0 CA-C-O 122.612 1.118 . . . . 0.0 110.384 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.257 0.0 OUTLIER -64.09 -14.23 53.19 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 119.559 3.17 . . . . 0.0 119.559 -178.601 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -93.33 16.65 12.8 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 128.505 2.722 . . . . 0.0 112.674 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -119.5 175.5 2.19 Favored Pre-proline 0 C--N 1.354 0.772 0 C-N-CA 127.254 2.222 . . . . 0.0 109.935 -175.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -70.09 154.2 66.67 Favored 'Trans proline' 0 C--N 1.371 1.726 0 C-N-CA 124.976 3.784 . . . . 0.0 115.626 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -93.57 146.13 31.23 Favored Pre-proline 0 C--N 1.352 0.702 0 C-N-CA 130.199 3.4 . . . . 0.0 110.276 -174.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -79.44 150.84 85.14 Favored 'Cis proline' 0 C--N 1.35 0.635 0 N-CA-C 116.733 1.782 . . . . 0.0 116.733 6.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.661 ' HA ' HG23 ' A' ' 28' ' ' VAL . 16.3 p90 -155.1 167.04 31.69 Favored 'General case' 0 C--N 1.37 1.467 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 175.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.8 t -137.41 130.03 42.65 Favored 'Isoleucine or valine' 0 C--N 1.388 2.251 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 -174.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.412 HG22 ' CH2' ' A' ' 71' ' ' TRP . 31.2 m -114.09 134.67 56.22 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 O-C-N 120.16 -1.588 . . . . 0.0 107.048 170.287 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.9 mt -104.91 128.31 58.75 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -176.28 -134.77 2.01 Favored Glycine 0 C--N 1.351 1.404 0 O-C-N 120.392 -1.442 . . . . 0.0 112.049 -170.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -140.39 148.48 41.31 Favored 'General case' 0 C--N 1.365 1.265 0 CA-C-O 122.356 1.074 . . . . 0.0 111.063 -176.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 . . . . . 0 C--N 1.355 0.847 0 C-N-CA 127.764 2.426 . . . . 0.0 109.146 179.037 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 . . . . . 0 CA--C 1.533 0.304 0 N-CA-C 116.482 2.03 . . . . 0.0 116.482 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 mp -121.42 127.27 75.66 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 1 C-N-CA 132.417 4.287 . . . . 0.0 101.494 176.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.2 m -127.06 132.05 50.78 Favored 'General case' 0 C--N 1.361 1.093 0 O-C-N 121.004 -1.06 . . . . 0.0 110.441 -177.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.14 157.26 46.26 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 126.102 1.761 . . . . 0.0 108.831 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -140.24 158.42 44.06 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 125.128 1.371 . . . . 0.0 109.302 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -130.94 130.71 43.8 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 125.263 1.425 . . . . 0.0 107.728 176.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -119.33 119.26 33.48 Favored 'General case' 0 C--N 1.36 1.058 0 N-CA-C 105.971 -1.862 . . . . 0.0 105.971 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.2 m -124.78 135.53 63.67 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 -172.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.412 ' CH2' HG22 ' A' ' 45' ' ' VAL . 1.1 m-90 -132.22 123.07 26.27 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 173.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -126.09 47.62 1.01 Allowed Glycine 0 C--N 1.369 2.414 0 C-N-CA 123.322 0.487 . . . . 0.0 112.88 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.75 57.29 0.35 Allowed Glycine 0 C--N 1.355 1.61 0 C-N-CA 128.963 3.173 . . . . 0.0 118.383 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.1 p -121.18 -70.81 0.76 Allowed 'General case' 0 C--N 1.352 0.717 0 C-N-CA 126.109 1.764 . . . . 0.0 109.419 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.7 m -131.59 144.6 51.19 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 103.353 -2.832 . . . . 0.0 103.353 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -52.17 -36.48 51.84 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 128.551 2.741 . . . . 0.0 115.782 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.97 -35.1 72.61 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 131.241 3.817 . . . . 0.0 113.671 174.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.19 -33.61 72.47 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 125.961 1.705 . . . . 0.0 113.901 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.92 -34.77 75.93 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 127.188 2.195 . . . . 0.0 114.246 174.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -77.22 -43.0 35.21 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 128.601 2.76 . . . . 0.0 110.691 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.9 -49.08 66.73 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 128.913 2.885 . . . . 0.0 113.633 174.467 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.4 pt -65.24 -38.45 82.66 Favored 'Isoleucine or valine' 0 C--N 1.382 1.982 0 CA-C-N 120.279 1.399 . . . . 0.0 113.282 174.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 62.4 m -60.91 -48.19 82.94 Favored 'General case' 0 C--N 1.385 2.149 0 C-N-CA 126.652 1.981 . . . . 0.0 111.518 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.5 m -60.24 -47.46 85.87 Favored 'General case' 0 C--N 1.37 1.471 0 C-N-CA 127.453 2.301 . . . . 0.0 113.976 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -67.08 -37.96 84.89 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 126.372 1.869 . . . . 0.0 115.861 176.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.315 9.6 p -70.35 -43.32 78.44 Favored 'Isoleucine or valine' 0 C--N 1.38 1.927 0 O-C-N 120.165 -1.585 . . . . 0.0 112.881 173.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.72 -40.45 95.1 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 128.498 2.719 . . . . 0.0 112.31 172.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -65.58 -39.51 91.72 Favored 'General case' 0 C--N 1.373 1.627 0 C-N-CA 126.561 1.944 . . . . 0.0 113.076 171.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.55 -53.72 50.53 Favored 'General case' 0 C--N 1.373 1.63 0 CA-C-N 120.587 1.539 . . . . 0.0 112.855 169.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.2 mt -55.17 -26.07 36.52 Favored 'General case' 0 C--N 1.369 1.438 0 N-CA-C 117.721 2.489 . . . . 0.0 117.721 177.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.403 ' O ' HG22 ' A' ' 91' ' ' THR 0.673 1.8 m -114.17 10.25 17.29 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 165.646 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -52.88 11.02 Favored 'General case' 0 C--N 1.36 1.063 0 O-C-N 119.204 -2.185 . . . . 0.0 108.765 170.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -119.5 129.77 25.2 Favored Pre-proline 0 C--N 1.359 1.001 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 175.337 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -79.92 129.66 8.13 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 123.979 3.119 . . . . 0.0 111.702 -176.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.36 107.98 4.58 Favored 'General case' 0 C--N 1.368 1.372 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 -177.489 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 33.5 ttp -143.14 162.14 36.35 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 102.432 -3.173 . . . . 0.0 102.432 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -141.48 107.8 5.26 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 124.549 1.14 . . . . 0.0 108.896 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 69.03 -76.04 0.06 Allowed 'General case' 0 C--N 1.348 0.525 1 C-N-CA 133.425 4.69 . . . . 0.0 115.229 172.063 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -146.62 22.65 1.67 Allowed Glycine 0 CA--C 1.492 -1.357 0 N-CA-C 106.388 -2.685 . . . . 0.0 106.388 174.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -121.37 124.55 44.8 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.7 m -115.0 142.45 46.62 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 122.319 1.057 . . . . 0.0 111.209 -173.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.557 ' CE1' ' HB2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -144.35 136.9 26.72 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 104.419 -2.438 . . . . 0.0 104.419 -179.424 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 76.8 t -106.89 135.32 45.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 C-N-CA 127.548 2.339 . . . . 0.0 109.549 -171.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.55 129.5 34.7 Favored 'General case' 0 C--N 1.368 1.381 0 C-N-CA 125.62 1.568 . . . . 0.0 110.682 177.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm . . . . . 0 C--N 1.357 0.928 0 C-N-CA 124.22 1.008 . . . . 0.0 110.255 -176.492 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -124.8 150.26 17.11 Favored Glycine 0 C--N 1.353 1.517 0 C-N-CA 123.603 0.621 . . . . 0.0 112.599 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -118.02 124.54 73.24 Favored 'Isoleucine or valine' 0 C--N 1.365 1.281 0 N-CA-C 101.903 -3.369 . . . . 0.0 101.903 171.259 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.3 mt -119.67 130.28 74.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -110.86 140.15 45.56 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 124.839 1.256 . . . . 0.0 107.854 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.7 p -140.06 135.27 37.34 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 CA-C-N 122.343 2.338 . . . . 0.0 110.601 175.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.32 139.11 53.98 Favored 'General case' 0 C--N 1.358 0.978 0 O-C-N 120.184 -1.572 . . . . 0.0 110.925 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -122.74 134.5 54.45 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 126.766 2.026 . . . . 0.0 105.706 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 3.6 m -123.55 143.36 50.24 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.941 0.896 . . . . 0.0 110.032 -173.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 C--N 1.37 1.474 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 179.495 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.8 mt . . . . . 0 N--CA 1.471 0.575 0 CA-C-O 122.75 1.262 . . . . 0.0 113.071 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.58 -33.27 66.02 Favored 'General case' 0 C--N 1.362 1.136 1 C-N-CA 133.076 4.551 . . . . 0.0 113.306 172.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.3 p -56.05 -47.26 78.23 Favored 'General case' 0 C--N 1.372 1.582 0 C-N-CA 127.112 2.165 . . . . 0.0 113.675 173.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.473 6.2 tpp180 -71.81 -36.8 70.38 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 131.081 3.753 . . . . 0.0 112.935 175.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.45 -23.14 36.72 Favored 'General case' 0 CA--C 1.561 1.398 0 O-C-N 119.476 -2.015 . . . . 0.0 114.583 165.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 102' ' ' PHE 0.286 0.1 OUTLIER -64.96 -29.25 70.17 Favored 'General case' 0 C--N 1.375 1.675 0 O-C-N 119.307 -2.121 . . . . 0.0 115.174 162.368 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.37 -37.83 83.78 Favored 'General case' 0 C--N 1.377 1.801 0 C-N-CA 127.022 2.129 . . . . 0.0 109.645 174.134 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -63.4 -34.04 76.86 Favored 'General case' 0 C--N 1.375 1.677 0 C-N-CA 125.603 1.561 . . . . 0.0 112.064 166.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.85 -34.9 78.83 Favored 'General case' 0 C--N 1.367 1.368 0 O-C-N 118.87 -2.394 . . . . 0.0 113.414 169.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.263 19.2 p -65.52 -38.56 90.04 Favored 'General case' 0 C--N 1.381 1.974 0 C-N-CA 124.593 1.157 . . . . 0.0 111.711 169.414 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -34.89 70.78 Favored 'Isoleucine or valine' 0 C--N 1.37 1.468 0 O-C-N 120.534 -1.354 . . . . 0.0 114.266 172.513 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.85 -35.58 72.49 Favored 'General case' 0 C--N 1.368 1.384 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 171.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.502 ' HB3' ' HG2' ' A' ' 93' ' ' LYS 0.534 23.1 p30 -70.28 -34.52 72.86 Favored 'General case' 0 C--N 1.365 1.277 0 O-C-N 119.844 -1.785 . . . . 0.0 112.634 170.078 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 mt -65.8 -31.31 72.2 Favored 'General case' 0 C--N 1.37 1.49 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 170.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -85.02 -30.16 24.38 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 125.271 1.428 . . . . 0.0 112.994 172.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.2 m -81.52 -21.28 38.69 Favored 'General case' 0 C--N 1.378 1.838 0 C-N-CA 125.343 1.457 . . . . 0.0 112.566 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -87.77 94.05 9.63 Favored 'General case' 0 C--N 1.36 1.049 0 CA-C-O 122.794 1.283 . . . . 0.0 110.806 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.326 11.0 pt20 -52.73 -38.1 54.34 Favored Pre-proline 0 C--N 1.359 1.018 0 N-CA-C 119.075 2.991 . . . . 0.0 119.075 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -63.66 -19.36 67.24 Favored 'Trans proline' 0 C--N 1.363 1.337 0 C-N-CA 124.969 3.779 . . . . 0.0 114.264 167.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.77 -15.74 59.66 Favored 'General case' 0 C--N 1.371 1.5 0 CA-C-N 121.14 1.791 . . . . 0.0 114.064 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 73.9 mtp -67.08 -28.52 68.25 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 129.07 2.948 . . . . 0.0 113.34 176.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -89.72 -15.58 32.22 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 128.278 2.631 . . . . 0.0 112.142 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -101.19 -41.23 6.81 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 128.037 2.535 . . . . 0.0 114.166 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 p -122.87 146.89 27.45 Favored 'Isoleucine or valine' 0 C--N 1.365 1.25 0 O-C-N 120.308 -1.495 . . . . 0.0 108.167 -177.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -101.5 -39.72 7.39 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-O 124.602 2.144 . . . . 0.0 113.5 177.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.437 ' HG3' ' HB3' ' A' ' 39' ' ' ASP 0.825 68.1 mm-40 -116.24 40.87 2.74 Favored 'General case' 0 CA--C 1.5 -0.979 1 C-N-CA 135.134 5.373 . . . . 0.0 118.257 -166.767 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -84.87 108.95 17.39 Favored 'Isoleucine or valine' 0 C--N 1.369 1.435 0 CA-C-O 124.574 2.131 . . . . 0.0 109.543 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.7 t -146.52 169.57 18.67 Favored 'General case' 0 C--N 1.365 1.272 0 CA-C-O 124.309 2.004 . . . . 0.0 113.82 -173.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -78.54 50.73 0.99 Allowed 'General case' 0 C--N 1.355 0.844 0 N-CA-C 117.72 2.489 . . . . 0.0 117.72 -176.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.653 60.6 p 113.72 -57.78 0.0 OUTLIER Pre-proline 0 N--CA 1.476 0.871 0 CA-C-O 113.505 -3.14 . . . . 0.0 119.32 173.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -73.7 163.93 36.05 Favored 'Trans proline' 0 CA--C 1.555 1.541 1 CA-C-N 128.761 4.165 . . . . 0.0 115.946 176.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.11 15.34 0.6 Allowed Glycine 0 C--N 1.366 2.219 0 N-CA-C 115.916 1.126 . . . . 0.0 115.916 171.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -28.57 46.69 Favored 'General case' 0 C--N 1.364 1.207 0 N-CA-C 118.18 2.659 . . . . 0.0 118.18 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -96.45 9.76 40.33 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 128.485 2.714 . . . . 0.0 112.733 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.437 ' HB3' ' HG3' ' A' ' 30' ' ' GLN . 80.6 m-20 -90.41 165.77 22.11 Favored Pre-proline 0 C--N 1.36 1.037 0 C-N-CA 124.793 1.237 . . . . 0.0 110.854 177.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -69.43 148.75 67.9 Favored 'Trans proline' 0 C--N 1.365 1.439 0 C-N-CA 124.413 3.409 . . . . 0.0 114.577 -177.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -95.54 132.88 26.65 Favored Pre-proline 0 C--N 1.356 0.867 0 C-N-CA 126.782 2.033 . . . . 0.0 108.189 -177.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -82.95 150.36 69.29 Favored 'Cis proline' 0 CA--C 1.552 1.419 0 CA-C-N 122.79 2.032 . . . . 0.0 116.333 2.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -159.65 166.72 30.04 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 124.937 1.295 . . . . 0.0 113.758 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.513 HG22 HG22 ' A' ' 70' ' ' VAL . 72.3 t -137.27 133.79 46.95 Favored 'Isoleucine or valine' 0 C--N 1.393 2.489 0 CA-C-O 123.854 1.788 . . . . 0.0 112.04 -175.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.2 m -122.47 132.33 71.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 119.951 -1.718 . . . . 0.0 109.309 171.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.4 mt -99.16 124.93 52.73 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 C-N-CA 126.652 1.981 . . . . 0.0 105.752 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.59 -126.66 0.83 Allowed Glycine 0 C--N 1.351 1.365 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -145.13 155.64 43.43 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 123.619 0.768 . . . . 0.0 110.259 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.361 1.107 0 C-N-CA 126.568 1.947 . . . . 0.0 110.326 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.5 m120 . . . . . 0 N--CA 1.445 -0.676 0 N-CA-C 103.014 -2.958 . . . . 0.0 103.014 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.74 121.15 62.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 1 N-CA-C 99.935 -4.098 . . . . 0.0 99.935 -177.48 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 p -131.47 117.65 19.1 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 104.229 -2.508 . . . . 0.0 104.229 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.8 tpt -144.48 160.97 40.21 Favored 'General case' 0 C--N 1.36 1.046 0 CA-C-O 121.842 0.83 . . . . 0.0 109.799 -175.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -132.18 152.9 51.05 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 124.581 1.153 . . . . 0.0 109.311 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.311 2.4 p90 -128.79 139.23 52.28 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.91 1.284 . . . . 0.0 107.749 171.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -121.55 127.54 51.06 Favored 'General case' 0 CA--C 1.491 -1.321 0 C-N-CA 128.009 2.524 . . . . 0.0 106.575 -175.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.513 HG22 HG22 ' A' ' 44' ' ' VAL . 55.2 t -121.98 128.49 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 CA-C-N 113.916 -1.493 . . . . 0.0 107.834 -175.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -128.22 138.08 52.3 Favored 'General case' 0 C--N 1.369 1.418 0 C-N-CA 118.27 -1.372 . . . . 0.0 109.252 171.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -150.89 179.12 27.86 Favored Glycine 0 C--N 1.366 2.245 0 CA-C-O 122.324 0.958 . . . . 0.0 111.692 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -153.88 108.43 0.37 Allowed Glycine 0 C--N 1.354 1.549 0 N-CA-C 105.156 -3.178 . . . . 0.0 105.156 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.0 m -166.64 -85.88 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 103.214 -2.884 . . . . 0.0 103.214 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.6 p -144.55 170.12 16.66 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 125.999 1.72 . . . . 0.0 107.746 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -67.07 -35.33 79.59 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 127.786 2.434 . . . . 0.0 114.141 171.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.65 -35.89 73.1 Favored 'General case' 0 C--N 1.371 1.525 0 C-N-CA 127.724 2.41 . . . . 0.0 113.496 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -60.48 -36.91 79.43 Favored 'General case' 0 C--N 1.373 1.612 0 C-N-CA 126.716 2.006 . . . . 0.0 114.215 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.18 -33.58 73.68 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 126.111 1.764 . . . . 0.0 114.374 173.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -77.24 -39.49 48.21 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 127.548 2.339 . . . . 0.0 110.693 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -66.64 -45.21 79.75 Favored 'General case' 0 C--N 1.372 1.565 0 C-N-CA 127.005 2.122 . . . . 0.0 113.97 174.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.267 11.9 pt -66.39 -37.75 80.33 Favored 'Isoleucine or valine' 0 C--N 1.374 1.647 0 C-N-CA 126.176 1.79 . . . . 0.0 111.662 174.109 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.7 t -65.15 -42.33 93.86 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 126.882 2.073 . . . . 0.0 112.58 172.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.0 t -58.71 -41.39 86.2 Favored 'General case' 0 C--N 1.373 1.614 0 C-N-CA 129.07 2.948 . . . . 0.0 112.296 173.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -75.34 -38.83 59.96 Favored 'General case' 0 C--N 1.369 1.454 0 C-N-CA 126.143 1.777 . . . . 0.0 113.763 171.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.9 t -63.84 -49.5 81.63 Favored 'Isoleucine or valine' 0 C--N 1.381 1.965 0 CA-C-N 122.015 2.189 . . . . 0.0 112.327 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.2 mp -71.8 -32.05 67.21 Favored 'General case' 0 C--N 1.37 1.485 0 O-C-N 119.405 -2.059 . . . . 0.0 111.922 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -61.7 -34.27 75.49 Favored 'General case' 0 C--N 1.387 2.218 0 C-N-CA 124.938 1.295 . . . . 0.0 112.603 169.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.49 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -65.97 -50.39 64.47 Favored 'General case' 0 C--N 1.374 1.643 0 C-N-CA 125.772 1.629 . . . . 0.0 110.837 170.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.252 8.0 mp -50.88 -38.93 52.47 Favored 'General case' 0 C--N 1.377 1.787 0 N-CA-C 116.874 2.176 . . . . 0.0 116.874 178.276 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.306 0.2 OUTLIER -103.05 9.61 38.47 Favored 'General case' 0 C--N 1.368 1.403 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 169.711 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.49 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -77.84 -48.58 16.13 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 119.046 -2.284 . . . . 0.0 106.336 178.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.502 ' HG2' ' HB3' ' A' ' 17' ' ' ASN 0.377 0.5 OUTLIER -119.4 104.61 45.3 Favored Pre-proline 0 C--N 1.353 0.728 0 N-CA-C 105.032 -2.211 . . . . 0.0 105.032 172.296 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -57.34 154.18 36.45 Favored 'Trans proline' 0 C--N 1.386 2.519 1 C-N-CA 125.831 4.354 . . . . 0.0 117.501 -169.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.4 mt -82.43 106.64 14.47 Favored 'General case' 0 C--N 1.363 1.188 0 CA-C-O 125.598 2.618 . . . . 0.0 116.844 -168.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 25.1 ttt -144.58 149.1 35.23 Favored 'General case' 0 N--CA 1.426 -1.629 0 CA-C-N 111.342 -2.663 . . . . 0.0 107.558 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -134.02 109.92 9.3 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 104.176 -2.527 . . . . 0.0 104.176 170.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 64.42 -71.83 0.07 Allowed 'General case' 0 N--CA 1.442 -0.835 1 C-N-CA 132.936 4.494 . . . . 0.0 118.098 165.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -141.47 19.63 2.61 Favored Glycine 0 CA--C 1.492 -1.371 0 N-CA-C 106.888 -2.485 . . . . 0.0 106.888 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -123.24 124.88 44.0 Favored 'General case' 0 C--N 1.367 1.331 0 CA-C-N 117.718 0.759 . . . . 0.0 109.125 -177.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.0 m -121.64 123.45 41.94 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 -177.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -127.06 136.26 51.93 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 128.548 2.739 . . . . 0.0 105.36 -174.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.7 t -106.4 132.92 52.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 C-N-CA 127.345 2.258 . . . . 0.0 110.22 -171.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.93 138.86 36.12 Favored 'General case' 0 C--N 1.362 1.144 0 N-CA-C 117.055 2.243 . . . . 0.0 117.055 -174.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.6 tttm . . . . . 0 C--N 1.354 0.774 0 C-N-CA 129.113 2.965 . . . . 0.0 108.078 177.976 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 . . . . . 0 N--CA 1.435 -1.218 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.67 139.67 11.14 Favored Glycine 0 C--N 1.348 1.22 0 N-CA-C 107.244 -2.342 . . . . 0.0 107.244 170.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.07 128.02 75.93 Favored 'Isoleucine or valine' 0 C--N 1.362 1.114 0 N-CA-C 104.326 -2.472 . . . . 0.0 104.326 175.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 51.6 mt -121.39 128.1 75.84 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 125.616 1.566 . . . . 0.0 106.8 -177.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -110.06 139.59 45.02 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 124.182 0.993 . . . . 0.0 109.457 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.92 143.74 18.5 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 CA-C-O 123.6 1.667 . . . . 0.0 110.736 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -124.3 140.52 52.88 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 125.811 1.644 . . . . 0.0 107.415 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.08 148.05 49.73 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 104.552 -2.388 . . . . 0.0 104.552 178.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 81.3 m -135.97 143.15 44.69 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 119.723 -1.861 . . . . 0.0 109.585 -174.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.364 1.236 0 C-N-CA 126.689 1.995 . . . . 0.0 106.757 175.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.3 mt . . . . . 0 N--CA 1.472 0.65 0 N-CA-C 116.882 2.179 . . . . 0.0 116.882 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.76 -32.93 73.22 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 127.024 2.13 . . . . 0.0 113.673 174.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.1 p -61.0 -48.03 83.7 Favored 'General case' 0 C--N 1.375 1.678 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.512 38.4 tpt85 -71.98 -36.23 69.74 Favored 'General case' 0 C--O 1.245 0.85 0 C-N-CA 131.053 3.741 . . . . 0.0 113.726 174.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.417 ' HA ' ' HG3' ' A' ' 12' ' ' LYS . . . -53.43 -27.0 22.26 Favored 'General case' 0 CA--C 1.559 1.311 0 O-C-N 119.943 -1.723 . . . . 0.0 115.171 165.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 102' ' ' PHE 0.273 0.2 OUTLIER -62.77 -29.6 70.83 Favored 'General case' 0 C--N 1.382 1.987 0 O-C-N 119.683 -1.886 . . . . 0.0 115.578 165.122 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.272 49.0 mt-30 -69.79 -37.76 76.44 Favored 'General case' 0 C--N 1.371 1.527 0 C-N-CA 126.183 1.793 . . . . 0.0 110.834 173.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.417 ' HG3' ' HA ' ' A' ' 9' ' ' ALA 0.424 0.0 OUTLIER -67.1 -30.59 70.65 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 165.984 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.33 -33.82 69.98 Favored 'General case' 0 C--N 1.366 1.304 0 O-C-N 119.414 -2.054 . . . . 0.0 113.708 171.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.5 m -70.12 -29.66 66.66 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 129.876 3.27 . . . . 0.0 110.507 171.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.86 -37.9 63.24 Favored 'Isoleucine or valine' 0 C--N 1.365 1.256 0 O-C-N 119.445 -2.034 . . . . 0.0 112.664 168.073 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -68.57 -29.66 68.25 Favored 'General case' 0 C--N 1.371 1.517 0 O-C-N 120.255 -1.528 . . . . 0.0 114.372 170.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -62.57 -49.81 73.82 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 127.712 2.405 . . . . 0.0 110.645 168.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -31.57 66.18 Favored 'General case' 0 C--N 1.38 1.918 0 C-N-CA 125.847 1.659 . . . . 0.0 112.125 173.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -66.08 -44.08 85.48 Favored 'General case' 0 C--N 1.371 1.524 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 167.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.479 ' HB2' ' CZ ' ' A' ' 92' ' ' TYR 0.388 0.7 OUTLIER -76.78 -16.98 59.31 Favored 'General case' 0 C--N 1.391 2.383 0 CA-C-N 123.439 2.836 . . . . 0.0 114.583 176.506 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.458 ' CD2' ' HB2' ' A' ' 89' ' ' ALA . 2.1 t80 -81.66 92.17 6.54 Favored 'General case' 0 C--N 1.367 1.358 0 CA-C-O 125.007 2.337 . . . . 0.0 116.347 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.337 10.9 pt20 -54.45 -43.4 97.78 Favored Pre-proline 0 C--N 1.36 1.061 0 C-N-CA 130.93 3.692 . . . . 0.0 116.247 175.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -62.73 -19.04 67.23 Favored 'Trans proline' 0 C--N 1.364 1.383 1 C-N-CA 125.328 4.019 . . . . 0.0 114.737 170.128 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tp -73.35 -29.04 62.39 Favored 'General case' 0 C--N 1.379 1.861 0 CA-C-N 121.852 2.115 . . . . 0.0 114.027 -178.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 58.8 mtt -60.03 -28.95 68.18 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 130.714 3.606 . . . . 0.0 114.118 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -94.07 -18.57 21.68 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 128.106 2.563 . . . . 0.0 112.889 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.8 mmt -102.79 -34.59 8.95 Favored 'General case' 0 C--N 1.361 1.103 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 p -123.25 146.67 28.24 Favored 'Isoleucine or valine' 0 C--N 1.364 1.227 0 O-C-N 120.062 -1.649 . . . . 0.0 107.666 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -101.05 -44.46 5.71 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 123.615 1.674 . . . . 0.0 112.442 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.412 ' HB2' ' HB2' ' A' ' 43' ' ' TYR 0.627 4.2 mp0 -109.02 40.79 1.74 Allowed 'General case' 0 CA--C 1.499 -0.995 1 C-N-CA 134.761 5.224 . . . . 0.0 115.456 -171.843 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.7 p -84.47 108.33 16.52 Favored 'Isoleucine or valine' 0 C--N 1.369 1.439 0 CA-C-N 124.331 3.242 . . . . 0.0 108.142 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.3 t -146.76 169.19 19.58 Favored 'General case' 0 C--N 1.361 1.077 0 CA-C-N 112.662 -2.063 . . . . 0.0 112.089 -168.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -95.87 9.61 39.99 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 -176.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.33 11.6 m -169.07 -70.0 0.0 OUTLIER Pre-proline 0 C--N 1.361 1.088 0 CA-C-O 115.37 -2.252 . . . . 0.0 113.789 175.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -72.94 164.2 36.24 Favored 'Trans proline' 0 C--N 1.362 1.25 0 C-N-CA 124.709 3.606 . . . . 0.0 115.473 -173.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 156.33 -25.73 0.53 Allowed Glycine 0 C--N 1.364 2.125 0 O-C-N 120.698 -1.251 . . . . 0.0 115.807 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.39 -31.39 6.11 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 119.31 3.078 . . . . 0.0 119.31 -174.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -106.28 15.38 26.24 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 127.674 2.39 . . . . 0.0 111.841 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -106.49 168.3 8.33 Favored Pre-proline 0 C--N 1.359 0.983 0 O-C-N 119.731 -1.855 . . . . 0.0 111.575 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -64.21 152.59 80.58 Favored 'Trans proline' 0 C--N 1.375 1.953 1 C-N-CA 125.56 4.173 . . . . 0.0 116.343 177.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -104.26 139.98 20.63 Favored Pre-proline 0 C--N 1.355 0.821 0 C-N-CA 127.261 2.224 . . . . 0.0 107.172 -177.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -80.51 149.0 77.69 Favored 'Cis proline' 0 CA--C 1.546 1.104 0 CA-C-N 123.883 2.422 . . . . 0.0 116.566 3.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.412 ' HB2' ' HB2' ' A' ' 30' ' ' GLN . 30.8 p90 -160.8 167.7 26.23 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 114.754 1.391 . . . . 0.0 114.754 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.461 HG22 HG22 ' A' ' 70' ' ' VAL . 72.6 t -136.64 135.31 48.9 Favored 'Isoleucine or valine' 0 C--N 1.401 2.811 0 CA-C-O 122.981 1.372 . . . . 0.0 114.632 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.416 HG22 ' CH2' ' A' ' 71' ' ' TRP . 25.5 m -113.62 143.02 24.19 Favored 'Isoleucine or valine' 0 C--N 1.364 1.196 0 O-C-N 120.068 -1.645 . . . . 0.0 109.034 165.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 21.8 mm -95.71 127.62 47.6 Favored 'Isoleucine or valine' 0 C--N 1.365 1.244 0 C-N-CA 127.914 2.486 . . . . 0.0 107.952 173.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -165.47 -133.99 1.59 Allowed Glycine 0 C--N 1.358 1.784 0 CA-C-N 118.948 0.795 . . . . 0.0 113.621 -177.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -145.0 152.76 40.65 Favored 'General case' 0 C--N 1.368 1.381 0 C-N-CA 126.054 1.742 . . . . 0.0 109.962 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? . . . . . 0 C--N 1.365 1.245 0 C-N-CA 126.363 1.865 . . . . 0.0 113.109 178.157 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 . . . . . 0 N--CA 1.438 -1.072 0 CA-C-O 123.277 1.513 . . . . 0.0 107.942 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -134.83 132.39 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 C-N-CA 129.997 3.319 . . . . 0.0 103.048 -178.212 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.4 t -131.43 119.72 22.03 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 100.897 -3.742 . . . . 0.0 100.897 172.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 20.9 ttt -134.67 133.18 39.78 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 126.289 1.836 . . . . 0.0 109.839 -173.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.12 146.51 45.89 Favored 'General case' 0 C--N 1.367 1.344 0 CA-C-O 123.252 1.501 . . . . 0.0 108.884 172.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.449 ' CZ ' HD11 ' A' ' 90' ' ' LEU . 7.8 m-85 -118.04 130.33 56.1 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 102.837 -3.023 . . . . 0.0 102.837 171.348 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.411 ' CE1' HD11 ' A' ' 124' ' ' ILE . 8.7 m-70 -118.57 119.52 34.74 Favored 'General case' 0 C--N 1.368 1.399 0 N-CA-C 106.09 -1.819 . . . . 0.0 106.09 175.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.461 HG22 HG22 ' A' ' 44' ' ' VAL . 46.9 t -118.79 134.8 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.879 0 CA-C-N 113.563 -1.653 . . . . 0.0 108.425 -169.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.416 ' CH2' HG22 ' A' ' 45' ' ' VAL . 1.7 m-90 -133.09 118.95 19.35 Favored 'General case' 0 C--N 1.366 1.301 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 171.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.79 74.91 0.41 Allowed Glycine 0 C--N 1.364 2.135 0 C-N-CA 126.742 2.115 . . . . 0.0 108.861 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -98.09 72.4 0.62 Allowed Glycine 0 C--N 1.354 1.572 0 C-N-CA 127.313 2.387 . . . . 0.0 111.216 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.4 p -135.84 -88.53 0.32 Allowed 'General case' 0 C--N 1.349 0.563 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.2 m -110.64 141.38 43.94 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 104.607 -2.368 . . . . 0.0 104.607 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -52.29 -39.85 61.03 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 127.984 2.513 . . . . 0.0 115.451 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.76 -35.59 81.08 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 129.347 3.059 . . . . 0.0 114.621 175.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -62.74 -33.75 75.79 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 127.106 2.163 . . . . 0.0 113.72 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.07 93.44 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 128.068 2.547 . . . . 0.0 115.103 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -77.32 -30.86 54.26 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.13 1.372 . . . . 0.0 111.984 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -66.38 -43.2 86.53 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 126.45 1.9 . . . . 0.0 112.67 173.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.7 pt -68.18 -38.31 79.46 Favored 'Isoleucine or valine' 0 C--N 1.375 1.678 0 CA-C-N 119.809 1.186 . . . . 0.0 113.73 173.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 t -63.67 -49.5 72.96 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 127.768 2.427 . . . . 0.0 112.212 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.6 m -64.44 -39.93 94.77 Favored 'General case' 0 C--N 1.37 1.462 0 C-N-CA 127.995 2.518 . . . . 0.0 113.118 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -43.33 86.41 Favored 'General case' 0 C--N 1.377 1.767 0 C-N-CA 126.193 1.797 . . . . 0.0 114.108 173.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.333 3.1 p -67.94 -38.45 80.02 Favored 'Isoleucine or valine' 0 C--N 1.374 1.65 0 CA-C-N 121.541 1.973 . . . . 0.0 113.384 176.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.52 -41.24 89.11 Favored 'General case' 0 CA--C 1.572 1.795 0 C-N-CA 127.743 2.417 . . . . 0.0 113.362 171.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -66.18 -33.43 75.76 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 127.394 2.278 . . . . 0.0 113.183 171.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 21' ' ' TYR . . . -62.75 -51.46 67.03 Favored 'General case' 0 C--N 1.369 1.428 0 C-N-CA 126.913 2.085 . . . . 0.0 112.099 171.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.449 HD11 ' CZ ' ' A' ' 68' ' ' PHE . 1.1 mp -45.46 -37.71 5.47 Favored 'General case' 0 C--N 1.378 1.834 0 C-N-CA 131.276 3.83 . . . . 0.0 113.897 172.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.391 0.2 OUTLIER -107.36 9.56 29.84 Favored 'General case' 0 C--N 1.365 1.246 0 N-CA-C 116.998 2.222 . . . . 0.0 116.998 167.132 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 20' ' ' SER 0.361 2.2 p90 -75.97 -46.96 26.95 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 117.661 -3.149 . . . . 0.0 105.936 177.722 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.288 11.6 ptpt -113.16 140.87 24.78 Favored Pre-proline 0 C--N 1.362 1.147 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 169.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -76.38 153.21 35.22 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.7 2.933 . . . . 0.0 110.52 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.4 mt -74.44 108.45 7.22 Favored 'General case' 0 C--N 1.36 1.046 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 24.7 ttt -144.41 141.78 29.89 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 125.897 1.679 . . . . 0.0 110.756 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -137.55 107.69 6.39 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.273 2.229 . . . . 0.0 105.92 175.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . 0.385 11.7 pt-20 61.5 -65.68 0.07 Allowed 'General case' 0 C--N 1.348 0.541 1 C-N-CA 134.847 5.259 . . . . 0.0 118.279 172.323 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -143.6 16.93 2.23 Favored Glycine 0 CA--C 1.491 -1.425 0 N-CA-C 106.822 -2.511 . . . . 0.0 106.822 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -121.28 124.66 45.15 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.2 m -117.09 128.81 55.51 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 104.629 -2.36 . . . . 0.0 104.629 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -111.62 132.42 54.58 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-O 122.494 1.14 . . . . 0.0 113.089 -171.055 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.7 t -107.22 128.85 61.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 C-N-CA 128.094 2.558 . . . . 0.0 110.849 -172.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.09 123.07 28.09 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 125.684 1.594 . . . . 0.0 113.532 -177.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.1 tptp . . . . . 0 C--N 1.352 0.709 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 -175.995 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 33.4 t60 . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 120.969 0.414 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -129.31 132.96 7.33 Favored Glycine 0 C--N 1.356 1.679 0 N-CA-C 107.843 -2.103 . . . . 0.0 107.843 172.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.411 HD11 ' CE1' ' A' ' 69' ' ' HIS . 0.4 OUTLIER -121.01 129.62 75.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 178.474 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 88.8 mt -118.94 114.24 44.11 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 N-CA-C 103.741 -2.689 . . . . 0.0 103.741 172.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -119.58 119.93 35.23 Favored 'General case' 0 C--N 1.363 1.183 0 N-CA-C 105.121 -2.178 . . . . 0.0 105.121 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.27 146.8 27.35 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 CA-C-O 122.589 1.185 . . . . 0.0 110.248 -176.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -116.63 139.25 50.73 Favored 'General case' 0 C--N 1.361 1.103 0 C-N-CA 127.054 2.142 . . . . 0.0 107.067 177.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -124.6 140.36 53.01 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 103.332 -2.84 . . . . 0.0 103.332 175.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 9.1 m -124.23 143.2 50.66 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 105.177 -2.157 . . . . 0.0 105.177 -177.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 15.1 pt . . . . . 0 C--N 1.363 1.174 0 O-C-N 119.899 -1.751 . . . . 0.0 111.274 176.479 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.4 mt . . . . . 0 CA--C 1.516 -0.361 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.9 -34.3 67.78 Favored 'General case' 0 C--N 1.364 1.237 0 C-N-CA 129.273 3.029 . . . . 0.0 114.232 174.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.463 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.1 m -61.67 -46.69 88.66 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 127.843 2.457 . . . . 0.0 113.805 176.23 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.368 51.1 ttm-85 -73.47 -37.52 65.74 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 128.836 2.854 . . . . 0.0 114.541 167.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.07 -23.01 4.66 Favored 'General case' 0 CA--C 1.569 1.695 0 O-C-N 117.735 -3.103 . . . . 0.0 115.022 169.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.586 HD13 ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -55.82 -34.3 65.24 Favored 'General case' 0 C--N 1.374 1.654 0 N-CA-C 117.071 2.249 . . . . 0.0 117.071 161.58 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.586 ' N ' HD13 ' A' ' 10' ' ' LEU 0.423 1.2 pp0? -70.14 -37.57 75.31 Favored 'General case' 0 C--N 1.381 1.97 0 C-N-CA 128.323 2.649 . . . . 0.0 110.013 172.84 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -66.57 -30.92 71.33 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 166.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.89 -32.5 67.49 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 127.626 2.371 . . . . 0.0 111.897 172.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.6 m -69.78 -45.52 67.82 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 128.917 2.887 . . . . 0.0 110.677 172.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.26 -31.19 52.79 Favored 'Isoleucine or valine' 0 C--N 1.366 1.325 0 C-N-CA 125.898 1.679 . . . . 0.0 113.051 171.44 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -70.49 -37.14 74.18 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 124.893 1.277 . . . . 0.0 112.763 171.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.565 ' HB3' ' HG2' ' A' ' 93' ' ' LYS 0.353 23.6 p30 -63.87 -35.09 79.49 Favored 'General case' 0 C--N 1.377 1.796 0 CA-C-N 121.395 1.907 . . . . 0.0 114.222 168.174 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.459 HD21 ' CD1' ' A' ' 90' ' ' LEU . 9.2 mt -60.57 -42.76 97.31 Favored 'General case' 0 C--N 1.377 1.799 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 168.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -82.13 -21.88 36.45 Favored 'General case' 0 C--N 1.364 1.227 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 174.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.9 m -81.91 -25.45 34.95 Favored 'General case' 0 C--N 1.376 1.744 0 C-N-CA 125.903 1.681 . . . . 0.0 113.246 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -81.17 96.52 7.24 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 120.582 -1.324 . . . . 0.0 111.043 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.422 4.8 pt20 -40.87 -47.47 7.15 Favored Pre-proline 0 C--N 1.367 1.364 1 N-CA-C 121.964 4.061 . . . . 0.0 121.964 -173.989 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -65.78 -20.0 58.96 Favored 'Trans proline' 0 C--N 1.362 1.271 0 CA-C-N 127.886 3.852 . . . . 0.0 115.085 169.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tt -69.04 -41.84 77.14 Favored 'General case' 0 C--N 1.374 1.663 0 CA-C-N 121.564 1.984 . . . . 0.0 112.241 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 57.3 mmm -59.82 -27.73 66.86 Favored 'General case' 0 C--N 1.362 1.145 1 C-N-CA 132.125 4.17 . . . . 0.0 114.814 171.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -84.54 -39.19 19.1 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 128.01 2.524 . . . . 0.0 112.071 176.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 24.2 mmt -78.46 -41.09 33.67 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 125.89 1.676 . . . . 0.0 113.828 177.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.2 m -124.36 143.27 38.34 Favored 'Isoleucine or valine' 0 C--N 1.369 1.436 0 N-CA-C 101.968 -3.345 . . . . 0.0 101.968 167.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -102.25 -17.3 15.99 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 125.969 2.795 . . . . 0.0 110.748 176.117 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.397 48.4 mm-40 -98.37 39.36 1.25 Allowed 'General case' 0 N--CA 1.422 -1.861 1 C-N-CA 137.598 6.359 . . . . 0.0 115.198 -167.663 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.94 108.5 18.08 Favored 'Isoleucine or valine' 0 C--N 1.377 1.765 0 N-CA-C 104.745 -2.317 . . . . 0.0 104.745 175.011 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.7 t -131.55 145.39 51.7 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 113.977 -1.465 . . . . 0.0 113.636 -172.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -94.46 -7.44 41.38 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 124.967 1.307 . . . . 0.0 114.016 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.292 15.5 m -166.89 -74.14 0.0 OUTLIER Pre-proline 0 C--N 1.356 0.866 0 CA-C-O 115.308 -2.282 . . . . 0.0 111.019 177.195 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -72.92 137.4 26.73 Favored 'Trans proline' 0 C--N 1.367 1.545 0 C-N-CA 124.052 3.168 . . . . 0.0 113.051 -177.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.89 32.2 2.71 Favored Glycine 0 C--N 1.352 1.447 0 O-C-N 120.159 -1.588 . . . . 0.0 112.14 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.457 ' HA ' HG11 ' A' ' 45' ' ' VAL 0.422 0.0 OUTLIER -85.35 -16.94 38.26 Favored 'General case' 0 C--N 1.361 1.098 0 O-C-N 120.077 -1.837 . . . . 0.0 113.903 175.686 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -105.16 15.79 26.89 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 128.487 2.715 . . . . 0.0 114.105 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.68 154.57 58.9 Favored Pre-proline 0 C--N 1.367 1.332 0 C-N-CA 126.036 1.735 . . . . 0.0 110.366 176.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -75.81 152.79 37.46 Favored 'Trans proline' 0 CA--C 1.546 1.124 0 C-N-CA 124.201 3.267 . . . . 0.0 115.992 -171.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -71.49 138.78 83.67 Favored Pre-proline 0 C--N 1.364 1.22 0 C-N-CA 130.352 3.461 . . . . 0.0 115.709 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.1 148.09 84.38 Favored 'Cis proline' 0 CA--C 1.543 0.927 0 CA-C-N 122.134 1.798 . . . . 0.0 115.218 2.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -167.63 167.55 13.33 Favored 'General case' 0 CA--C 1.561 1.382 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 177.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.2 t -132.07 121.89 47.59 Favored 'Isoleucine or valine' 0 C--N 1.393 2.469 0 CA-C-O 123.517 1.627 . . . . 0.0 113.743 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.457 HG11 ' HA ' ' A' ' 37' ' ' LYS . 19.0 m -113.0 145.56 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 120.303 -1.498 . . . . 0.0 109.649 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.4 mp -95.24 137.02 24.51 Favored 'Isoleucine or valine' 0 C--N 1.368 1.398 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 173.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -154.2 -149.93 5.36 Favored Glycine 0 C--N 1.351 1.4 0 N-CA-C 105.935 -2.866 . . . . 0.0 105.935 175.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -146.53 160.79 41.68 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.865 -1.373 . . . . 0.0 108.763 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 . . . . . 0 C--N 1.367 1.33 0 C-N-CA 127.628 2.371 . . . . 0.0 105.47 178.273 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.1 t30 . . . . . 0 CA--C 1.542 0.647 0 CA-C-O 122.914 1.34 . . . . 0.0 112.638 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.512 HG21 ' CD1' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -108.7 132.8 55.68 Favored 'Isoleucine or valine' 0 C--N 1.365 1.251 0 C-N-CA 130.198 3.399 . . . . 0.0 102.264 172.302 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 93.2 m -132.46 128.38 37.33 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 119.239 -2.163 . . . . 0.0 109.267 174.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -154.53 161.11 41.81 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 124.45 1.1 . . . . 0.0 109.374 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.65 163.47 28.86 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-O 123.26 1.505 . . . . 0.0 109.931 174.223 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -129.18 138.1 51.54 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 101.801 -3.407 . . . . 0.0 101.801 166.073 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -112.27 118.56 35.61 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 100.298 -3.964 . . . . 0.0 100.298 -178.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.4 t -121.31 111.13 30.08 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 N-CA-C 103.806 -2.664 . . . . 0.0 103.806 -165.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . 0.28 0.0 OUTLIER -130.87 138.18 49.7 Favored 'General case' 0 C--N 1.373 1.598 0 C-N-CA 115.566 -2.454 . . . . 0.0 112.484 -176.27 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.05 76.79 0.37 Allowed Glycine 0 C--N 1.371 2.495 0 C-N-CA 123.507 0.575 . . . . 0.0 112.664 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.97 95.56 2.01 Favored Glycine 0 C--N 1.362 1.978 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.0 m -177.98 -54.52 0.01 OUTLIER 'General case' 0 C--N 1.351 0.648 0 N-CA-C 103.934 -2.617 . . . . 0.0 103.934 -175.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.1 m -163.43 154.95 17.07 Favored 'General case' 0 C--N 1.361 1.082 0 N-CA-C 104.459 -2.423 . . . . 0.0 104.459 173.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -53.99 -35.11 61.5 Favored 'General case' 0 C--N 1.373 1.608 0 C-N-CA 129.289 3.036 . . . . 0.0 116.356 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.74 -35.97 64.3 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 129.028 2.931 . . . . 0.0 114.424 174.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -70.06 -39.27 75.77 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 124.555 1.142 . . . . 0.0 111.812 174.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.435 ' HA ' HG12 ' A' ' 82' ' ' ILE . . . -69.49 -42.51 74.68 Favored 'General case' 0 C--N 1.367 1.354 0 N-CA-C 116.627 2.084 . . . . 0.0 116.627 176.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -67.61 -39.65 84.72 Favored 'General case' 0 C--N 1.373 1.608 0 C-N-CA 126.643 1.977 . . . . 0.0 110.757 175.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -67.6 -51.94 44.4 Favored 'General case' 0 C--N 1.377 1.786 0 C-N-CA 124.567 1.147 . . . . 0.0 114.002 172.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.435 HG12 ' HA ' ' A' ' 79' ' ' ALA 0.279 9.9 pt -60.5 -38.06 76.88 Favored 'Isoleucine or valine' 0 C--N 1.384 2.092 0 C-N-CA 125.967 1.707 . . . . 0.0 114.25 177.765 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.9 m -63.58 -40.75 97.76 Favored 'General case' 0 C--N 1.371 1.509 0 C-N-CA 125.562 1.545 . . . . 0.0 112.581 174.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 91.3 p -68.6 -42.26 78.42 Favored 'General case' 0 C--N 1.379 1.849 0 C-N-CA 127.741 2.416 . . . . 0.0 112.989 175.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -66.59 -35.17 79.55 Favored 'General case' 0 C--N 1.376 1.76 0 C-N-CA 125.479 1.512 . . . . 0.0 112.86 174.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.9 t -69.26 -50.21 54.36 Favored 'Isoleucine or valine' 0 C--N 1.379 1.86 0 C-N-CA 126.733 2.013 . . . . 0.0 113.317 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.509 0.0 OUTLIER -69.04 -35.73 76.92 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-N 123.838 3.017 . . . . 0.0 114.88 176.61 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -57.57 -47.96 80.66 Favored 'General case' 0 C--N 1.381 1.976 0 C-N-CA 126.929 2.091 . . . . 0.0 112.728 171.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.66 -50.23 74.62 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 129.0 2.92 . . . . 0.0 114.239 170.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.459 ' CD1' HD21 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -47.2 -41.51 18.3 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 129.925 3.29 . . . . 0.0 114.278 177.418 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.629 0.2 OUTLIER -108.51 10.54 27.22 Favored 'General case' 0 C--N 1.373 1.6 0 N-CA-C 116.828 2.159 . . . . 0.0 116.828 165.617 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -43.51 41.33 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 118.108 -2.87 . . . . 0.0 109.871 177.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.565 ' HG2' ' HB3' ' A' ' 17' ' ' ASN . 3.6 tttp -122.62 94.08 47.9 Favored Pre-proline 0 C--N 1.35 0.61 0 N-CA-C 104.046 -2.575 . . . . 0.0 104.046 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -63.23 148.96 92.6 Favored 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 124.791 3.661 . . . . 0.0 115.845 -170.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.98 106.54 6.53 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 123.737 1.732 . . . . 0.0 115.274 -172.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 52.5 ttm -144.19 131.79 21.14 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 128.381 2.672 . . . . 0.0 107.807 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -135.41 120.42 18.7 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 104.363 -2.458 . . . . 0.0 104.363 173.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . 0.382 10.8 pt-20 66.67 25.86 9.76 Favored 'General case' 0 C--N 1.356 0.876 1 C-N-CA 132.742 4.417 . . . . 0.0 115.633 176.396 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.24 -1.83 70.49 Favored Glycine 0 C--N 1.357 1.728 0 C-N-CA 126.769 2.128 . . . . 0.0 112.689 -175.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -102.71 125.33 49.41 Favored 'General case' 0 C--N 1.359 0.981 0 O-C-N 121.497 -1.002 . . . . 0.0 109.51 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.77 142.87 29.76 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 127.469 2.308 . . . . 0.0 113.445 -175.322 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 7' ' ' SER 0.321 0.0 OUTLIER -128.69 144.09 51.08 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 124.524 1.13 . . . . 0.0 108.503 -179.609 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.9 t -106.39 121.48 59.0 Favored 'Isoleucine or valine' 0 C--N 1.349 0.56 0 C-N-CA 126.22 1.808 . . . . 0.0 108.258 -169.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.23 137.58 33.41 Favored 'General case' 0 C--N 1.368 1.394 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt . . . . . 0 C--N 1.366 1.313 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 -177.634 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 . . . . . 0 N--CA 1.444 -0.751 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.57 144.22 15.82 Favored Glycine 0 C--N 1.351 1.403 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 11.6 tt -115.27 116.1 51.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 103.921 -2.622 . . . . 0.0 103.921 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 31.7 mt -106.1 115.73 48.38 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 -177.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -102.82 131.38 49.73 Favored 'General case' 0 C--N 1.363 1.185 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 175.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . 0.252 14.0 t -118.72 132.31 68.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 172.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -116.05 123.66 48.49 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 102.895 -3.002 . . . . 0.0 102.895 176.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.71 133.45 52.12 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 126.119 1.767 . . . . 0.0 106.745 -172.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 89.7 m -131.35 143.16 50.29 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.853 -1.154 . . . . 0.0 109.744 -171.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.364 1.212 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 176.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mm? . . . . . 0 C--O 1.224 -0.247 0 N-CA-C 113.529 0.936 . . . . 0.0 113.529 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.18 -43.2 78.67 Favored 'General case' 0 C--N 1.363 1.184 0 C-N-CA 125.644 1.577 . . . . 0.0 114.656 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.0 m -61.15 -47.82 84.46 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 125.754 1.622 . . . . 0.0 114.031 177.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.552 49.1 tpt85 -72.15 -37.04 69.49 Favored 'General case' 0 C--O 1.243 0.722 0 C-N-CA 129.022 2.929 . . . . 0.0 114.147 175.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.85 -23.38 18.15 Favored 'General case' 0 CA--C 1.565 1.529 0 O-C-N 118.974 -2.329 . . . . 0.0 115.543 165.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 102' ' ' PHE 0.257 0.3 OUTLIER -60.15 -31.1 69.78 Favored 'General case' 0 C--N 1.383 2.04 0 O-C-N 119.755 -1.841 . . . . 0.0 114.808 161.782 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.262 48.7 mt-30 -69.39 -36.9 77.22 Favored 'General case' 0 C--N 1.378 1.814 0 C-N-CA 126.282 1.833 . . . . 0.0 109.949 173.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -62.41 -40.79 97.66 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 165.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.45 74.83 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 126.762 2.025 . . . . 0.0 112.419 173.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.8 m -69.59 -40.85 76.45 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 129.35 3.06 . . . . 0.0 109.816 174.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.7 -31.24 50.25 Favored 'Isoleucine or valine' 0 C--N 1.377 1.8 0 O-C-N 119.729 -1.857 . . . . 0.0 111.708 166.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -68.1 -36.93 80.57 Favored 'General case' 0 C--N 1.367 1.364 0 N-CA-C 116.293 1.96 . . . . 0.0 116.293 169.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.572 ' HB3' ' HG2' ' A' ' 93' ' ' LYS 0.273 0.5 OUTLIER -65.79 -35.49 80.85 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-N 120.407 1.458 . . . . 0.0 113.485 163.565 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.546 HD13 HG21 ' A' ' 31' ' ' VAL . 49.1 mt -65.59 -36.19 83.03 Favored 'General case' 0 C--N 1.366 1.314 0 CA-C-N 120.515 1.507 . . . . 0.0 115.011 174.08 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -83.2 -26.17 31.09 Favored 'General case' 0 C--N 1.373 1.621 0 C-N-CA 123.277 0.631 . . . . 0.0 112.14 173.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 m -83.31 -20.69 33.92 Favored 'General case' 0 C--N 1.382 1.992 0 O-C-N 120.604 -1.31 . . . . 0.0 113.128 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -91.38 94.05 9.32 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-O 123.266 1.508 . . . . 0.0 111.065 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.35 12.2 pt20 -53.65 -37.95 57.07 Favored Pre-proline 0 C--N 1.359 0.987 0 N-CA-C 119.246 3.054 . . . . 0.0 119.246 178.101 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -63.76 -19.03 66.46 Favored 'Trans proline' 0 C--N 1.362 1.283 0 C-N-CA 125.179 3.919 . . . . 0.0 114.107 167.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.92 -19.86 58.46 Favored 'General case' 0 C--N 1.376 1.736 0 CA-C-N 121.474 1.943 . . . . 0.0 113.819 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 59.6 mtt -66.81 -28.96 68.79 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 129.674 3.19 . . . . 0.0 114.059 177.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -94.41 -12.85 27.03 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 128.147 2.579 . . . . 0.0 111.782 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 25.8 mmt -102.62 -35.37 8.73 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 127.782 2.433 . . . . 0.0 114.677 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.403 HG21 ' HB ' ' A' ' 31' ' ' VAL . 3.1 p -123.52 145.36 30.64 Favored 'Isoleucine or valine' 0 C--N 1.363 1.18 0 O-C-N 120.263 -1.523 . . . . 0.0 109.701 177.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -102.17 -43.34 5.76 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 125.518 2.58 . . . . 0.0 113.267 177.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.719 0.9 OUTLIER -114.69 41.08 2.43 Favored 'General case' 0 CA--C 1.49 -1.336 1 C-N-CA 133.903 4.881 . . . . 0.0 117.126 -166.596 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.546 HG21 HD13 ' A' ' 18' ' ' LEU . 7.6 p -85.15 111.91 21.35 Favored 'Isoleucine or valine' 0 C--N 1.358 0.972 0 O-C-N 120.371 -1.456 . . . . 0.0 110.037 -176.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 t -145.84 162.15 38.36 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-O 123.6 1.667 . . . . 0.0 115.058 -173.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -110.87 47.89 0.96 Allowed 'General case' 0 C--N 1.363 1.181 0 C-N-CA 127.36 2.264 . . . . 0.0 107.789 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.5 p -152.38 168.09 11.99 Favored Pre-proline 0 C--N 1.352 0.7 0 C-N-CA 126.926 2.091 . . . . 0.0 107.527 -175.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -70.51 141.38 42.05 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 124.42 3.413 . . . . 0.0 112.784 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.23 51.71 0.02 OUTLIER Glycine 0 C--N 1.357 1.735 0 N-CA-C 106.452 -2.659 . . . . 0.0 106.452 -172.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.29 -13.65 51.93 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 126.824 2.049 . . . . 0.0 111.962 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -106.43 15.76 25.57 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 130.51 3.524 . . . . 0.0 111.737 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -90.23 166.97 18.01 Favored Pre-proline 0 C--N 1.364 1.211 0 CA-C-O 116.724 -1.607 . . . . 0.0 112.052 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -65.26 139.23 59.24 Favored 'Trans proline' 0 C--N 1.364 1.386 0 C-N-CA 124.802 3.668 . . . . 0.0 118.617 -168.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -81.3 127.06 75.08 Favored Pre-proline 0 C--N 1.356 0.877 0 C-N-CA 129.151 2.98 . . . . 0.0 114.464 -176.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -81.26 149.63 75.68 Favored 'Cis proline' 0 CA--C 1.554 1.507 0 CA-C-N 123.75 2.375 . . . . 0.0 115.021 0.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -165.35 166.69 18.44 Favored 'General case' 0 C--N 1.372 1.559 0 C-N-CA 125.02 1.328 . . . . 0.0 112.899 -174.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.4 t -138.53 138.54 42.51 Favored 'Isoleucine or valine' 0 C--N 1.389 2.297 0 CA-C-O 122.934 1.35 . . . . 0.0 113.152 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.468 HG22 ' CH2' ' A' ' 71' ' ' TRP . 16.6 m -117.41 143.66 27.29 Favored 'Isoleucine or valine' 0 C--N 1.359 1.002 0 O-C-N 120.779 -1.2 . . . . 0.0 107.79 163.328 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.9 mt -110.38 136.42 46.44 Favored 'Isoleucine or valine' 0 C--N 1.36 1.032 0 C-N-CA 127.149 2.179 . . . . 0.0 106.742 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.66 -118.27 0.77 Allowed Glycine 0 CA--C 1.495 -1.158 0 O-C-N 120.59 -1.319 . . . . 0.0 111.758 177.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -142.34 148.46 37.99 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 127.835 2.454 . . . . 0.0 105.214 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.419 ' HG3' HG13 ' A' ' 124' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.36 1.031 0 C-N-CA 128.132 2.573 . . . . 0.0 117.553 -171.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.8 m120 . . . . . 0 CA--C 1.538 0.488 0 CA-C-O 123.053 1.406 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 mp -137.4 135.04 46.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 N-CA-C 100.548 -3.871 . . . . 0.0 100.548 176.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 t -131.97 129.2 39.87 Favored 'General case' 0 C--N 1.359 1.022 0 N-CA-C 104.914 -2.254 . . . . 0.0 104.914 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 41.9 mtp -127.32 128.18 45.52 Favored 'General case' 0 CA--C 1.501 -0.936 0 C-N-CA 126.434 1.894 . . . . 0.0 108.982 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.53 144.85 44.68 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 166.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -127.26 136.52 52.11 Favored 'General case' 0 C--O 1.244 0.767 0 N-CA-C 104.066 -2.568 . . . . 0.0 104.066 174.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -119.28 117.89 29.79 Favored 'General case' 0 C--N 1.359 0.994 0 N-CA-C 102.343 -3.206 . . . . 0.0 102.343 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.2 m -127.68 126.4 66.96 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 -168.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.468 ' CH2' HG22 ' A' ' 45' ' ' VAL . 4.6 m-90 -124.61 137.19 54.4 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 117.954 -1.499 . . . . 0.0 107.461 177.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.4 171.45 21.9 Favored Glycine 0 C--N 1.356 1.684 0 N-CA-C 107.539 -2.224 . . . . 0.0 107.539 172.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -144.67 149.24 21.32 Favored Glycine 0 C--N 1.349 1.294 0 N-CA-C 107.48 -2.248 . . . . 0.0 107.48 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.255 88.7 m 138.76 -58.74 0.0 OUTLIER 'General case' 0 C--N 1.364 1.21 0 C-N-CA 130.417 3.487 . . . . 0.0 108.585 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.9 m -160.42 155.98 25.36 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -56.63 -35.32 68.19 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 128.848 2.859 . . . . 0.0 116.761 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.28 80.1 Favored 'General case' 0 C--N 1.364 1.199 0 C-N-CA 129.745 3.218 . . . . 0.0 114.222 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -61.5 -33.48 73.87 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 128.452 2.701 . . . . 0.0 113.502 176.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.27 -34.15 77.67 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 127.36 2.264 . . . . 0.0 113.236 173.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -77.81 -34.92 51.86 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 126.879 2.071 . . . . 0.0 111.68 174.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.7 -43.85 83.26 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 126.797 2.039 . . . . 0.0 113.335 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.0 pt -67.27 -37.56 79.32 Favored 'Isoleucine or valine' 0 C--N 1.374 1.641 0 C-N-CA 126.003 1.721 . . . . 0.0 112.348 174.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 t -68.4 -39.29 81.7 Favored 'General case' 0 C--N 1.372 1.548 0 C-N-CA 126.7 2.0 . . . . 0.0 112.519 173.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.9 t -59.3 -37.69 78.37 Favored 'General case' 0 C--N 1.374 1.669 0 C-N-CA 128.258 2.623 . . . . 0.0 112.228 168.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -44.1 73.02 Favored 'General case' 0 C--N 1.373 1.6 0 C-N-CA 126.985 2.114 . . . . 0.0 114.011 170.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.349 1.7 p -67.99 -41.03 84.23 Favored 'Isoleucine or valine' 0 C--N 1.381 1.955 0 CA-C-N 121.861 2.119 . . . . 0.0 112.976 176.137 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.28 -44.47 96.45 Favored 'General case' 0 C--N 1.372 1.572 0 C-N-CA 130.522 3.529 . . . . 0.0 112.242 172.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -61.58 -41.0 96.78 Favored 'General case' 0 C--N 1.377 1.773 0 C-N-CA 126.021 1.728 . . . . 0.0 113.679 170.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.454 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -58.83 -51.24 70.85 Favored 'General case' 0 C--N 1.376 1.72 0 CA-C-N 120.497 1.499 . . . . 0.0 112.744 168.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.9 mt -53.15 -40.23 64.13 Favored 'General case' 0 C--N 1.383 2.034 0 N-CA-C 116.916 2.191 . . . . 0.0 116.916 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.365 0.2 OUTLIER -100.03 9.18 43.29 Favored 'General case' 0 C--N 1.369 1.454 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 170.539 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.454 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 0.5 OUTLIER -77.93 -49.71 13.63 Favored 'General case' 0 C--N 1.363 1.169 0 O-C-N 119.114 -2.241 . . . . 0.0 107.07 178.803 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.572 ' HG2' ' HB3' ' A' ' 17' ' ' ASN 0.286 12.9 ptpt -117.99 113.93 37.43 Favored Pre-proline 0 C--N 1.357 0.908 0 N-CA-C 103.579 -2.749 . . . . 0.0 103.579 169.625 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -62.04 149.82 88.9 Favored 'Trans proline' 0 C--N 1.37 1.689 0 C-N-CA 124.544 3.496 . . . . 0.0 114.921 -172.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.6 mt -73.81 107.66 6.18 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -171.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 47.2 ttm -144.49 141.44 29.55 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 126.253 1.821 . . . . 0.0 111.268 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -137.33 110.61 7.87 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 66.1 12.63 8.63 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 130.535 3.534 . . . . 0.0 115.769 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.43 -2.11 34.66 Favored Glycine 0 C--N 1.348 1.215 0 C-N-CA 125.776 1.655 . . . . 0.0 111.119 -170.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -93.34 123.57 36.72 Favored 'General case' 0 C--N 1.37 1.5 0 CA-C-N 120.149 1.975 . . . . 0.0 109.127 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.23 137.86 40.8 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 127.323 2.249 . . . . 0.0 112.788 -175.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -132.68 117.1 17.46 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 126.999 2.119 . . . . 0.0 107.687 -179.276 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.1 t -109.85 146.25 15.44 Favored 'Isoleucine or valine' 0 C--N 1.362 1.116 0 C-N-CA 125.806 1.642 . . . . 0.0 108.885 -174.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.01 124.22 28.99 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 126.264 1.825 . . . . 0.0 115.126 -171.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 62.0 tttp . . . . . 0 C--N 1.358 0.957 0 C-N-CA 125.746 1.618 . . . . 0.0 107.906 179.468 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 . . . . . 0 N--CA 1.444 -0.743 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -114.34 134.97 12.07 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 107.118 -2.393 . . . . 0.0 107.118 166.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.419 HG13 ' HG3' ' A' ' 49' ' ' GLN . 0.4 OUTLIER -123.64 127.31 73.92 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.744 0 N-CA-C 103.166 -2.902 . . . . 0.0 103.166 176.209 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.4 tp -133.95 124.91 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 N-CA-C 103.899 -2.63 . . . . 0.0 103.899 -177.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -132.63 134.11 44.47 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 -175.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.2 p -144.14 140.51 24.78 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 CA-C-O 122.576 1.179 . . . . 0.0 109.61 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 53.2 ttm-85 -118.77 140.02 50.62 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 126.437 1.895 . . . . 0.0 107.976 175.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -124.63 152.92 43.01 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 125.323 1.449 . . . . 0.0 109.333 -178.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.8 m -109.73 140.38 43.68 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 125.518 1.527 . . . . 0.0 109.375 176.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 9.3 tt . . . . . 0 C--N 1.354 0.774 0 N-CA-C 103.079 -2.934 . . . . 0.0 103.079 172.004 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.7 mt . . . . . 0 N--CA 1.444 -0.748 0 N-CA-C 111.277 0.103 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.2 80.37 Favored 'General case' 0 C--N 1.378 1.834 0 C-N-CA 126.22 1.808 . . . . 0.0 114.505 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.6 m -64.92 -47.34 78.08 Favored 'General case' 0 C--N 1.365 1.242 0 CA-C-O 124.578 2.133 . . . . 0.0 112.943 176.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.49 56.2 ttp180 -73.85 -38.75 64.38 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 128.666 2.786 . . . . 0.0 115.291 174.076 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -23.48 65.22 Favored 'General case' 0 C--N 1.365 1.278 0 O-C-N 118.026 -2.921 . . . . 0.0 114.077 168.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.475 HD22 ' CD1' ' A' ' 102' ' ' PHE 0.445 0.2 OUTLIER -68.36 -28.62 67.28 Favored 'General case' 0 C--N 1.372 1.571 0 O-C-N 119.422 -2.049 . . . . 0.0 112.332 166.717 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -43.02 99.29 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 126.068 1.747 . . . . 0.0 111.554 170.084 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.384 0.0 OUTLIER -65.06 -30.17 71.11 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 170.726 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.65 -33.37 70.89 Favored 'General case' 0 C--N 1.365 1.28 0 O-C-N 120.367 -1.458 . . . . 0.0 114.515 167.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.273 28.9 p -69.03 -40.04 78.86 Favored 'General case' 0 C--N 1.382 2.022 0 C-N-CA 125.415 1.486 . . . . 0.0 110.844 168.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.45 -39.02 83.0 Favored 'Isoleucine or valine' 0 C--N 1.365 1.239 0 C-N-CA 124.782 1.233 . . . . 0.0 113.655 174.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -70.27 -29.06 65.73 Favored 'General case' 0 C--N 1.367 1.357 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 170.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -64.05 -44.85 91.19 Favored 'General case' 0 C--N 1.372 1.586 0 O-C-N 119.113 -2.242 . . . . 0.0 111.788 168.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.6 mt -64.44 -31.4 72.59 Favored 'General case' 0 C--N 1.362 1.147 0 O-C-N 120.794 -1.192 . . . . 0.0 113.993 175.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -33.58 65.9 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 126.271 1.828 . . . . 0.0 112.756 168.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.0 m -81.93 -18.41 43.71 Favored 'General case' 0 C--N 1.376 1.761 0 C-N-CA 125.937 1.695 . . . . 0.0 115.239 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -87.24 99.53 12.02 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 120.557 -1.339 . . . . 0.0 111.61 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.41 7.0 pt20 -42.15 -48.42 11.54 Favored Pre-proline 0 C--N 1.364 1.213 0 N-CA-C 121.064 3.727 . . . . 0.0 121.064 -177.583 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -66.5 -22.95 50.89 Favored 'Trans proline' 0 CA--C 1.551 1.357 0 CA-C-N 127.839 3.835 . . . . 0.0 115.609 166.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.45 -32.13 67.98 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-N 121.819 2.099 . . . . 0.0 113.147 -177.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 46.5 mtp -56.66 -28.45 60.7 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 130.246 3.418 . . . . 0.0 114.556 166.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -94.95 -14.69 24.2 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.169 2.188 . . . . 0.0 112.384 175.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.15 -39.18 10.71 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 127.714 2.406 . . . . 0.0 110.678 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 m -134.17 144.87 34.12 Favored 'Isoleucine or valine' 0 C--N 1.364 1.198 0 N-CA-C 104.301 -2.481 . . . . 0.0 104.301 173.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -100.93 -42.66 6.34 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 128.168 2.587 . . . . 0.0 114.011 -176.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.804 14.6 mm-40 -98.43 41.14 1.15 Allowed 'General case' 0 CA--C 1.5 -0.948 1 C-N-CA 133.469 4.707 . . . . 0.0 115.968 -172.63 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -84.99 107.69 16.19 Favored 'Isoleucine or valine' 0 C--N 1.361 1.077 0 CA-C-O 124.351 2.024 . . . . 0.0 106.662 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.6 t -147.4 168.87 20.75 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 112.12 -2.309 . . . . 0.0 112.141 -169.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -101.28 -17.95 16.33 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 127.508 2.323 . . . . 0.0 111.331 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.274 10.6 m -169.5 -67.63 0.0 OUTLIER Pre-proline 0 C--N 1.363 1.182 0 CA-C-O 116.171 -1.871 . . . . 0.0 112.0 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -72.49 136.39 26.03 Favored 'Trans proline' 0 C--N 1.364 1.375 0 CA-C-N 127.241 3.622 . . . . 0.0 111.001 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.93 4.72 57.69 Favored Glycine 0 C--N 1.353 1.523 0 O-C-N 121.224 -0.922 . . . . 0.0 112.453 -168.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.25 0.1 OUTLIER -79.02 -21.58 46.73 Favored 'General case' 0 C--N 1.373 1.605 0 O-C-N 120.387 -1.655 . . . . 0.0 114.977 -179.069 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -99.12 10.89 40.54 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 128.032 2.533 . . . . 0.0 112.551 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.32 164.19 28.3 Favored Pre-proline 0 C--N 1.358 0.961 0 C-N-CA 125.64 1.576 . . . . 0.0 110.257 178.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.25 163.0 15.2 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.754 2.969 . . . . 0.0 114.036 -174.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.413 ' CE1' ' CE1' ' A' ' 43' ' ' TYR . 73.6 m-85 -65.98 147.03 98.99 Favored Pre-proline 0 C--N 1.364 1.204 0 C-N-CA 129.359 3.063 . . . . 0.0 115.195 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -81.94 147.9 68.84 Favored 'Cis proline' 0 CA--C 1.549 1.253 0 CA-C-N 121.131 1.44 . . . . 0.0 114.253 2.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.413 ' CE1' ' CE1' ' A' ' 41' ' ' TYR . 25.8 p90 -166.74 167.82 14.82 Favored 'General case' 0 C--N 1.367 1.337 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.1 t -135.28 128.57 48.83 Favored 'Isoleucine or valine' 0 C--N 1.395 2.547 0 CA-C-O 123.132 1.444 . . . . 0.0 109.709 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.468 HG22 ' CH2' ' A' ' 71' ' ' TRP . 13.7 m -119.04 143.58 29.81 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 O-C-N 120.259 -1.525 . . . . 0.0 110.025 173.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 37.4 mm -78.63 139.85 17.82 Favored 'Isoleucine or valine' 0 C--N 1.366 1.31 0 C-N-CA 127.291 2.236 . . . . 0.0 109.881 170.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.04 -166.01 20.02 Favored Glycine 0 CA--C 1.493 -1.333 0 N-CA-C 107.028 -2.429 . . . . 0.0 107.028 174.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -145.97 145.51 30.68 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 102.996 -2.964 . . . . 0.0 102.996 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 . . . . . 0 C--N 1.359 0.987 0 O-C-N 120.547 -1.346 . . . . 0.0 111.77 -174.351 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.3 t30 . . . . . 0 N--CA 1.445 -0.694 0 N-CA-C 102.071 -3.307 . . . . 0.0 102.071 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.1 121.81 60.43 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 N-CA-C 102.008 -3.331 . . . . 0.0 102.008 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.3 p -128.43 119.32 24.73 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-O 117.146 -1.407 . . . . 0.0 108.801 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 3.7 tpt -154.19 162.14 41.38 Favored 'General case' 0 C--N 1.37 1.488 0 CA-C-N 119.409 1.004 . . . . 0.0 109.991 174.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.38 163.88 28.69 Favored 'General case' 0 C--N 1.36 1.033 0 O-C-N 119.897 -1.752 . . . . 0.0 110.046 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.63 150.23 49.57 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 104.201 -2.518 . . . . 0.0 104.201 172.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -112.04 118.82 36.46 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 100.262 -3.977 . . . . 0.0 100.262 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.8 t -119.52 111.65 33.94 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.15 0 N-CA-C 103.916 -2.624 . . . . 0.0 103.916 -168.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.468 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -133.93 139.56 46.21 Favored 'General case' 0 C--N 1.366 1.306 0 C-N-CA 116.145 -2.222 . . . . 0.0 107.964 -177.014 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -127.83 174.19 18.67 Favored Glycine 0 C--N 1.36 1.87 0 CA-C-O 122.116 0.842 . . . . 0.0 111.916 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -129.45 -154.2 8.1 Favored Glycine 0 C--N 1.357 1.746 0 C-N-CA 128.582 2.991 . . . . 0.0 108.511 177.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.9 m 73.15 -62.87 0.46 Allowed 'General case' 0 C--N 1.364 1.2 0 C-N-CA 127.736 2.414 . . . . 0.0 117.215 172.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.0 m -159.41 155.17 26.17 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 125.279 1.432 . . . . 0.0 107.702 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.73 -34.24 38.19 Favored 'General case' 0 C--N 1.366 1.311 1 C-N-CA 132.406 4.282 . . . . 0.0 116.017 177.21 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.57 -35.15 77.0 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 130.08 3.352 . . . . 0.0 113.918 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -60.93 -33.11 72.65 Favored 'General case' 0 C--N 1.372 1.557 0 C-N-CA 127.853 2.461 . . . . 0.0 114.386 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.68 -39.42 80.59 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 130.532 3.533 . . . . 0.0 113.824 174.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -40.2 63.49 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 127.77 2.428 . . . . 0.0 110.186 174.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -62.56 -42.17 99.37 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 127.008 2.123 . . . . 0.0 112.933 171.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.283 14.8 pt -67.17 -44.89 87.54 Favored 'Isoleucine or valine' 0 C--N 1.373 1.619 0 CA-C-N 121.033 1.742 . . . . 0.0 112.773 172.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.4 t -67.65 -44.09 78.74 Favored 'General case' 0 C--N 1.367 1.342 0 CA-C-N 120.965 1.711 . . . . 0.0 114.74 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.2 t -67.24 -34.74 78.1 Favored 'General case' 0 C--N 1.371 1.533 0 C-N-CA 127.391 2.276 . . . . 0.0 113.51 174.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -75.42 -29.78 59.84 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 125.929 1.692 . . . . 0.0 111.662 173.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.1 t -66.76 -49.56 73.4 Favored 'Isoleucine or valine' 0 C--N 1.383 2.048 0 C-N-CA 127.789 2.435 . . . . 0.0 111.169 171.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.36 3.4 pp -65.01 -37.11 86.58 Favored 'General case' 0 C--N 1.378 1.825 0 O-C-N 119.722 -1.861 . . . . 0.0 114.333 175.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.45 -45.3 94.86 Favored 'General case' 0 C--N 1.376 1.73 0 C-N-CA 126.352 1.861 . . . . 0.0 112.282 170.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.55 -54.01 50.59 Favored 'General case' 0 C--N 1.375 1.686 0 C-N-CA 126.553 1.941 . . . . 0.0 113.466 170.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 27.5 mt -48.77 -31.91 7.74 Favored 'General case' 0 C--N 1.381 1.955 0 C-N-CA 128.463 2.705 . . . . 0.0 116.407 176.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.537 0.3 OUTLIER -110.53 9.52 23.17 Favored 'General case' 0 C--N 1.374 1.635 0 N-CA-C 116.766 2.136 . . . . 0.0 116.766 162.784 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -44.58 35.9 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 117.814 -3.054 . . . . 0.0 108.517 175.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.67 142.31 24.68 Favored Pre-proline 0 C--N 1.358 0.956 0 N-CA-C 102.17 -3.27 . . . . 0.0 102.17 173.009 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -79.65 155.67 24.24 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 124.267 3.312 . . . . 0.0 111.275 -175.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.8 mt -90.37 107.34 19.09 Favored 'General case' 0 C--N 1.366 1.313 0 CA-C-O 123.792 1.758 . . . . 0.0 108.705 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.1 ttt -144.55 135.06 24.59 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 112.716 -2.038 . . . . 0.0 109.893 -168.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -133.53 108.66 8.75 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 175.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 74.01 18.29 3.26 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 129.832 3.253 . . . . 0.0 114.2 176.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.48 5.16 57.01 Favored Glycine 0 C--N 1.354 1.544 0 C-N-CA 125.733 1.635 . . . . 0.0 112.322 -174.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -101.1 125.05 47.69 Favored 'General case' 0 C--N 1.36 1.059 0 CA-C-N 118.725 1.262 . . . . 0.0 110.617 -177.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.7 p -93.45 133.5 36.66 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 127.944 2.498 . . . . 0.0 114.734 -176.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.475 ' CD1' HD22 ' A' ' 10' ' ' LEU 0.287 0.0 OUTLIER -133.76 152.72 51.95 Favored 'General case' 0 C--N 1.363 1.156 0 O-C-N 121.061 -1.025 . . . . 0.0 108.563 179.568 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.8 t -106.46 117.1 51.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.026 0 C-N-CA 127.206 2.202 . . . . 0.0 111.62 -169.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.35 138.17 33.64 Favored 'General case' 0 C--N 1.366 1.315 0 N-CA-C 118.582 2.808 . . . . 0.0 118.582 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? . . . . . 0 C--N 1.36 1.06 0 C-N-CA 126.451 1.9 . . . . 0.0 107.906 170.149 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.519 -0.222 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.4 158.09 22.59 Favored Glycine 0 CA--C 1.488 -1.653 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.89 115.8 50.61 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 1 N-CA-C 99.201 -4.37 . . . . 0.0 99.201 172.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 49.6 mt -117.56 117.2 54.31 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 C-N-CA 125.06 1.344 . . . . 0.0 108.314 -171.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -92.42 131.77 37.31 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-O 122.784 1.278 . . . . 0.0 109.12 172.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.42 126.74 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 171.198 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -119.88 128.05 53.29 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 103.919 -2.622 . . . . 0.0 103.919 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -128.19 141.36 51.49 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 102.227 -3.249 . . . . 0.0 102.227 -173.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 86.5 m -132.51 144.75 50.65 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 105.944 -1.873 . . . . 0.0 105.944 -170.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.362 1.129 0 O-C-N 120.195 -1.566 . . . . 0.0 111.26 178.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 111.312 0.116 . . . . 0.0 111.312 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.32 -33.44 75.98 Favored 'General case' 0 C--N 1.381 1.951 0 C-N-CA 126.102 1.761 . . . . 0.0 113.52 175.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.443 ' O ' HD13 ' A' ' 64' ' ' ILE . 71.2 m -62.3 -48.37 80.15 Favored 'General case' 0 C--N 1.374 1.659 0 C-N-CA 124.311 1.044 . . . . 0.0 113.698 175.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.637 45.6 ttp180 -73.86 -37.29 64.83 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 119.237 -2.164 . . . . 0.0 116.554 169.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.35 -23.43 5.9 Favored 'General case' 0 CA--C 1.573 1.846 0 O-C-N 117.324 -3.36 . . . . 0.0 115.025 168.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.554 HD22 ' HB2' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -59.9 -29.29 68.26 Favored 'General case' 0 C--N 1.375 1.675 0 C-N-CA 128.295 2.638 . . . . 0.0 115.816 163.503 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.505 ' HA ' ' HE2' ' A' ' 66' ' ' MET . 0.7 OUTLIER -70.0 -41.32 74.52 Favored 'General case' 0 C--N 1.382 1.984 0 C-N-CA 128.948 2.899 . . . . 0.0 108.232 172.815 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -67.32 -30.22 70.0 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 115.07 -0.968 . . . . 0.0 113.135 168.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.44 -40.89 85.45 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 120.306 -1.496 . . . . 0.0 112.324 167.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.521 HG23 HD12 ' A' ' 95' ' ' LEU . 5.5 m -69.14 -36.97 78.02 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 123.951 1.834 . . . . 0.0 111.937 178.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -31.38 51.13 Favored 'Isoleucine or valine' 0 C--N 1.372 1.556 0 C-N-CA 125.224 1.41 . . . . 0.0 112.017 170.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.45 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 73.2 tt0 -70.86 -29.8 66.03 Favored 'General case' 0 C--N 1.372 1.562 0 C-N-CA 124.955 1.302 . . . . 0.0 113.394 172.189 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -68.82 -40.46 79.47 Favored 'General case' 0 C--N 1.368 1.413 0 C-N-CA 125.962 1.705 . . . . 0.0 110.857 171.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mp -59.03 -42.25 89.75 Favored 'General case' 0 C--N 1.377 1.792 0 N-CA-C 114.96 1.466 . . . . 0.0 114.96 169.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.45 ' HG2' ' HA ' ' A' ' 16' ' ' GLU 0.254 8.3 pt-20 -79.33 -16.57 56.11 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 171.108 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.4 m -83.37 -21.98 32.92 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 125.048 1.339 . . . . 0.0 112.867 175.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.443 ' CD2' ' HB2' ' A' ' 89' ' ' ALA . 9.4 t80 -84.58 102.86 13.21 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 124.861 1.265 . . . . 0.0 113.052 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.364 16.2 pt20 -44.52 -47.74 26.61 Favored Pre-proline 0 C--N 1.365 1.244 0 N-CA-C 120.862 3.653 . . . . 0.0 120.862 -179.116 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -66.42 -20.2 54.75 Favored 'Trans proline' 0 C--N 1.364 1.387 0 CA-C-N 127.55 3.732 . . . . 0.0 115.238 168.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.433 HD23 ' CG2' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -72.28 -34.56 68.28 Favored 'General case' 0 C--N 1.375 1.678 0 CA-C-N 121.346 1.885 . . . . 0.0 112.156 -179.165 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 76.7 mmm -63.08 -28.54 70.15 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 129.704 3.202 . . . . 0.0 116.841 175.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -94.69 -21.64 18.65 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 125.236 1.415 . . . . 0.0 112.197 176.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.7 mmt -86.67 -41.37 14.26 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.14 1.776 . . . . 0.0 112.929 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.433 ' CG2' HD23 ' A' ' 24' ' ' LEU . 16.0 m -126.59 146.05 33.1 Favored 'Isoleucine or valine' 0 C--N 1.364 1.218 0 N-CA-C 103.8 -2.667 . . . . 0.0 103.8 172.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -100.95 -39.29 7.83 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 129.442 3.097 . . . . 0.0 112.191 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.377 16.9 mt-30 -95.96 41.92 1.1 Allowed 'General case' 0 N--CA 1.428 -1.528 1 C-N-CA 140.973 7.709 . . . . 0.0 112.25 -164.078 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.3 t -86.43 106.97 16.2 Favored 'Isoleucine or valine' 0 C--N 1.38 1.895 0 N-CA-C 104.635 -2.357 . . . . 0.0 104.635 176.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 t -146.02 170.07 17.39 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 113.45 -1.705 . . . . 0.0 113.354 -170.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.06 23.0 3.28 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 126.913 2.085 . . . . 0.0 109.382 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 82.2 p -122.98 -164.96 0.06 OUTLIER Pre-proline 0 C--N 1.351 0.655 0 C-N-CA 126.783 2.033 . . . . 0.0 109.611 -171.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -62.77 141.26 84.41 Favored 'Trans proline' 0 C--N 1.371 1.737 0 C-N-CA 123.817 3.011 . . . . 0.0 110.347 160.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 148.16 -5.09 0.88 Allowed Glycine 0 C--N 1.348 1.196 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.793 -165.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.251 0.0 OUTLIER -78.21 -18.27 55.65 Favored 'General case' 0 C--N 1.365 1.25 0 N-CA-C 117.643 2.46 . . . . 0.0 117.643 -175.094 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -106.16 16.34 25.06 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 128.338 2.655 . . . . 0.0 114.628 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.15 179.85 1.2 Allowed Pre-proline 0 C--N 1.355 0.829 0 C-N-CA 127.297 2.239 . . . . 0.0 112.906 -172.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -64.93 131.76 30.01 Favored 'Trans proline' 0 C--N 1.367 1.546 0 C-N-CA 124.6 3.534 . . . . 0.0 115.933 -177.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -78.55 146.47 69.69 Favored Pre-proline 0 C--N 1.354 0.781 1 C-N-CA 132.627 4.371 . . . . 0.0 114.301 -174.164 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -85.98 148.28 42.13 Favored 'Cis proline' 0 C--N 1.364 1.392 0 CA-C-N 124.827 2.76 . . . . 0.0 114.53 1.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -173.37 169.42 4.44 Favored 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 114.498 1.295 . . . . 0.0 114.498 -175.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 p -138.52 137.48 43.41 Favored 'Isoleucine or valine' 0 C--N 1.406 3.058 0 N-CA-C 116.409 2.004 . . . . 0.0 116.409 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . 0.314 8.4 m -117.77 156.11 19.43 Favored 'Isoleucine or valine' 0 C--N 1.38 1.892 0 O-C-N 120.339 -1.476 . . . . 0.0 111.387 170.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.1 mm -81.69 139.65 17.65 Favored 'Isoleucine or valine' 0 C--N 1.369 1.436 0 C-N-CA 125.169 1.388 . . . . 0.0 110.471 169.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -159.37 -164.14 14.24 Favored Glycine 0 C--N 1.35 1.359 0 N-CA-C 106.067 -2.813 . . . . 0.0 106.067 174.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -146.49 147.66 31.41 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 105.771 -1.936 . . . . 0.0 105.771 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 . . . . . 0 C--N 1.364 1.221 0 CA-C-N 120.76 1.618 . . . . 0.0 114.884 -176.821 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.36 0.6 OUTLIER . . . . . 0 C--O 1.234 0.24 0 CA-C-O 123.589 1.661 . . . . 0.0 110.177 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.58 HD11 ' CD2' ' A' ' 102' ' ' PHE . 5.2 mt -118.29 132.79 67.12 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 C-N-CA 129.411 3.084 . . . . 0.0 107.103 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.1 p -116.45 118.45 32.71 Favored 'General case' 0 C--N 1.366 1.289 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 171.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.505 ' HE2' ' HA ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -144.96 139.53 27.61 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-N 119.815 1.189 . . . . 0.0 113.374 -175.094 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.0 163.18 25.92 Favored 'General case' 0 C--N 1.363 1.163 0 CA-C-O 124.638 2.161 . . . . 0.0 110.35 174.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.56 ' CZ ' HD11 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -131.8 136.57 47.63 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 101.21 -3.626 . . . . 0.0 101.21 168.253 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -113.24 119.19 36.88 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 -178.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -117.44 131.32 70.51 Favored 'Isoleucine or valine' 0 C--N 1.364 1.214 0 N-CA-C 107.672 -1.232 . . . . 0.0 107.672 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -130.56 123.66 30.05 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.06 -1.056 . . . . 0.0 108.555 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.96 118.8 5.71 Favored Glycine 0 C--N 1.363 2.047 0 C-N-CA 124.439 1.019 . . . . 0.0 111.262 174.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.29 25.95 26.25 Favored Glycine 0 C--N 1.361 1.934 0 C-N-CA 128.019 2.723 . . . . 0.0 114.719 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.7 p -103.79 -81.26 0.52 Allowed 'General case' 0 C--N 1.345 0.39 0 C-N-CA 127.812 2.445 . . . . 0.0 110.027 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -157.13 161.09 39.38 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 106.78 -1.563 . . . . 0.0 106.78 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 -51.64 -35.89 43.9 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 130.266 3.427 . . . . 0.0 117.792 -175.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.48 -36.06 78.42 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 126.113 1.765 . . . . 0.0 113.853 176.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -67.61 -33.15 74.42 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 126.854 2.062 . . . . 0.0 114.452 177.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.411 ' HA ' HG12 ' A' ' 82' ' ' ILE . . . -67.47 -35.09 78.5 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.946 2.098 . . . . 0.0 114.87 173.396 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -70.52 -38.97 74.34 Favored 'General case' 0 C--N 1.377 1.804 0 C-N-CA 128.475 2.71 . . . . 0.0 109.965 173.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 85' ' ' ARG . 28.9 t70 -65.15 -51.38 61.5 Favored 'General case' 0 C--N 1.372 1.58 0 C-N-CA 126.628 1.971 . . . . 0.0 111.683 172.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.411 HG12 ' HA ' ' A' ' 79' ' ' ALA 0.422 9.1 pt -63.47 -37.64 80.11 Favored 'Isoleucine or valine' 0 C--N 1.379 1.849 0 CA-C-N 121.759 2.072 . . . . 0.0 114.76 173.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.7 m -64.02 -46.68 83.38 Favored 'General case' 0 C--N 1.372 1.574 0 C-N-CA 127.475 2.31 . . . . 0.0 113.276 173.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.6 t -75.43 -27.85 59.12 Favored 'General case' 0 C--N 1.371 1.507 0 O-C-N 119.651 -1.906 . . . . 0.0 113.285 175.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 81' ' ' ASP . 0.7 OUTLIER -62.32 -42.0 99.02 Favored 'General case' 0 C--N 1.377 1.797 0 C-N-CA 128.571 2.748 . . . . 0.0 109.177 172.148 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.423 ' O ' HD13 ' A' ' 90' ' ' LEU . 0.9 OUTLIER -61.49 -50.52 80.0 Favored 'Isoleucine or valine' 0 C--N 1.373 1.621 0 C-N-CA 127.361 2.264 . . . . 0.0 112.711 169.87 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 90' ' ' LEU . 9.0 mp -60.89 -46.79 89.22 Favored 'General case' 0 N--CA 1.501 2.1 0 CA-C-N 123.089 2.677 . . . . 0.0 115.092 175.375 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 72.6 tt0 -62.03 -34.56 76.46 Favored 'General case' 0 C--N 1.37 1.487 0 CA-C-O 117.023 -1.465 . . . . 0.0 113.033 175.398 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB2' ' CD2' ' A' ' 21' ' ' TYR . . . -69.23 -46.33 67.64 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 126.51 1.924 . . . . 0.0 114.349 171.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.56 HD11 ' CZ ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -50.4 -47.54 56.42 Favored 'General case' 0 C--N 1.384 2.08 0 C-N-CA 129.386 3.074 . . . . 0.0 113.691 178.557 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.529 0.2 OUTLIER -104.2 10.48 35.72 Favored 'General case' 0 C--N 1.37 1.467 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 172.055 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.449 ' HB3' ' O ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -75.92 -48.68 20.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 119.251 -2.155 . . . . 0.0 108.834 175.002 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER -126.07 137.49 30.26 Favored Pre-proline 0 C--N 1.353 0.722 0 N-CA-C 102.16 -3.274 . . . . 0.0 102.16 171.687 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.65 159.49 21.95 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 124.496 3.464 . . . . 0.0 112.732 -170.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.554 ' HB2' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -99.0 107.64 20.12 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-O 123.733 1.73 . . . . 0.0 109.659 178.831 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 34.9 ttp -143.56 131.06 21.08 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 -176.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -129.62 123.04 30.29 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 176.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 81.06 7.83 1.18 Allowed 'General case' 0 C--N 1.367 1.332 0 C-N-CA 130.916 3.686 . . . . 0.0 113.818 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 90.68 12.96 60.18 Favored Glycine 0 C--N 1.357 1.728 0 C-N-CA 125.474 1.511 . . . . 0.0 110.861 -170.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -109.36 125.04 51.94 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 124.118 0.967 . . . . 0.0 111.099 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.3 t -109.84 156.34 20.5 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 126.222 1.809 . . . . 0.0 108.523 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CD2' HD11 ' A' ' 64' ' ' ILE . 8.4 m-85 -121.16 159.1 26.54 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 102.116 -3.29 . . . . 0.0 102.116 -176.196 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.3 t -105.56 121.85 58.25 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.565 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.15 137.77 33.93 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 125.45 1.5 . . . . 0.0 114.155 -173.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 N--CA 1.44 -0.964 0 C-N-CA 128.398 2.679 . . . . 0.0 106.215 178.686 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.6 m80 . . . . . 0 C--O 1.236 0.37 0 N-CA-C 103.442 -2.799 . . . . 0.0 103.442 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -125.71 143.38 14.42 Favored Glycine 0 C--N 1.365 2.184 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 -171.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 17.4 tt -123.27 119.06 56.52 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.2 mp -109.9 113.62 44.72 Favored 'Isoleucine or valine' 0 C--N 1.359 0.988 0 N-CA-C 106.233 -1.765 . . . . 0.0 106.233 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -114.27 131.21 56.58 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 125.04 1.336 . . . . 0.0 108.288 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 15.3 t -123.55 143.89 35.12 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 174.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -119.27 139.0 52.63 Favored 'General case' 0 C--N 1.36 1.058 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 173.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.33 137.32 38.79 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 -174.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 28.4 m -124.49 140.53 52.86 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 124.606 1.162 . . . . 0.0 112.15 -177.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.2 pt . . . . . 0 C--N 1.367 1.331 0 O-C-N 120.599 -1.313 . . . . 0.0 109.039 172.602 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.477 0.18 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.95 -37.89 83.94 Favored 'General case' 0 C--N 1.378 1.844 0 C-N-CA 127.233 2.213 . . . . 0.0 113.375 175.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.9 p -58.66 -47.78 83.32 Favored 'General case' 0 C--N 1.366 1.306 0 C-N-CA 126.533 1.933 . . . . 0.0 114.105 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.428 16.1 ptm180 -72.85 -36.51 67.46 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 128.858 2.863 . . . . 0.0 115.124 169.357 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.14 -23.6 5.71 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 126.461 1.904 . . . . 0.0 113.919 169.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.439 HD12 HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -61.61 -32.87 73.02 Favored 'General case' 0 C--N 1.37 1.495 0 N-CA-C 115.96 1.837 . . . . 0.0 115.96 164.198 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.419 ' N ' HD13 ' A' ' 10' ' ' LEU 0.263 5.2 tp60 -70.61 -37.76 73.89 Favored 'General case' 0 C--N 1.372 1.548 0 C-N-CA 126.926 2.09 . . . . 0.0 109.818 173.686 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.03 -32.6 74.16 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 167.186 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.53 -34.15 67.37 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 119.676 -1.89 . . . . 0.0 113.129 170.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.4 m -70.91 -37.23 72.94 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.935 2.494 . . . . 0.0 110.795 172.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.12 -31.41 44.55 Favored 'Isoleucine or valine' 0 C--N 1.364 1.229 0 O-C-N 119.45 -2.031 . . . . 0.0 111.935 171.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -70.56 -29.55 66.03 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 124.722 1.209 . . . . 0.0 112.539 169.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.01 -45.43 93.64 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 126.925 2.09 . . . . 0.0 111.073 166.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.52 -34.48 74.17 Favored 'General case' 0 C--N 1.364 1.239 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 171.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -77.33 -22.86 51.2 Favored 'General case' 0 C--N 1.367 1.341 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 169.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.3 m -82.0 -31.59 31.0 Favored 'General case' 0 C--N 1.37 1.475 0 C-N-CA 125.559 1.544 . . . . 0.0 112.612 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -72.38 96.12 1.84 Allowed 'General case' 0 C--N 1.358 0.96 0 C-N-CA 126.732 2.013 . . . . 0.0 113.43 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.309 5.8 pt20 -40.44 -46.85 6.12 Favored Pre-proline 0 C--N 1.366 1.296 0 N-CA-C 120.204 3.409 . . . . 0.0 120.204 -177.329 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -66.32 -28.21 47.25 Favored 'Trans proline' 0 C--N 1.361 1.228 0 CA-C-N 127.715 3.791 . . . . 0.0 116.271 168.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.608 0.4 OUTLIER -82.51 -20.79 36.02 Favored 'General case' 0 C--N 1.387 2.199 0 CA-C-N 123.656 2.935 . . . . 0.0 114.133 -173.271 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 50.6 mmm -63.87 -27.95 69.51 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 129.817 3.247 . . . . 0.0 113.821 170.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -83.92 -28.18 28.06 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 127.171 2.188 . . . . 0.0 112.211 174.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 18.5 mmt -87.49 -46.29 9.73 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 126.462 1.905 . . . . 0.0 112.68 178.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.433 HG13 HG21 ' A' ' 82' ' ' ILE . 9.4 m -122.69 140.91 45.04 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 N-CA-C 100.724 -3.806 . . . . 0.0 100.724 169.476 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -104.32 -24.64 13.07 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 125.862 2.744 . . . . 0.0 112.201 175.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.421 ' HB3' ' HB2' ' A' ' 43' ' ' TYR 0.257 7.5 mm-40 -97.51 38.17 1.3 Allowed 'General case' 0 N--CA 1.43 -1.438 1 C-N-CA 136.95 6.1 . . . . 0.0 112.475 -169.496 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.5 p -87.38 107.73 17.47 Favored 'Isoleucine or valine' 0 C--N 1.357 0.916 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.2 t -132.86 156.19 47.63 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 123.304 1.526 . . . . 0.0 112.193 -168.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -98.34 -22.47 16.08 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.889 2.075 . . . . 0.0 113.518 -176.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.283 14.4 m -156.66 -73.05 0.02 OUTLIER Pre-proline 0 CA--C 1.509 -0.623 0 CA-C-O 115.028 -2.415 . . . . 0.0 108.274 178.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -72.48 138.23 29.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 124.264 3.309 . . . . 0.0 114.215 -177.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 118.58 10.02 8.86 Favored Glycine 0 C--N 1.359 1.829 0 O-C-N 121.216 -0.928 . . . . 0.0 111.772 171.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -17.95 61.88 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 126.644 1.978 . . . . 0.0 115.843 -174.329 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -100.96 15.58 28.16 Favored 'General case' 0 C--N 1.364 1.199 0 C-N-CA 128.505 2.722 . . . . 0.0 112.253 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -88.12 154.52 52.12 Favored Pre-proline 0 C--N 1.367 1.341 0 C-N-CA 125.66 1.584 . . . . 0.0 110.095 176.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.96 148.8 25.27 Favored 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 123.875 3.05 . . . . 0.0 116.055 -169.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -61.62 135.11 94.01 Favored Pre-proline 0 C--N 1.365 1.24 1 C-N-CA 131.944 4.098 . . . . 0.0 116.107 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -80.44 148.63 77.36 Favored 'Cis proline' 0 C--N 1.355 0.898 0 CA-C-N 123.945 2.445 . . . . 0.0 115.288 5.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.421 ' HB2' ' HB3' ' A' ' 30' ' ' GLN . 18.8 p90 -172.63 168.65 5.2 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 124.427 1.091 . . . . 0.0 112.915 177.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.5 t -128.66 138.17 55.33 Favored 'Isoleucine or valine' 0 C--N 1.391 2.401 0 CA-C-O 122.391 1.091 . . . . 0.0 111.85 177.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.464 HG22 ' CH2' ' A' ' 71' ' ' TRP . 26.3 m -126.08 152.19 33.11 Favored 'Isoleucine or valine' 0 C--N 1.36 1.064 0 O-C-N 121.083 -1.011 . . . . 0.0 108.959 174.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 46' ' ' ILE . 37.4 mm -88.98 139.1 17.92 Favored 'Isoleucine or valine' 0 C--N 1.371 1.539 0 C-N-CA 125.342 1.457 . . . . 0.0 107.853 167.065 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.81 -154.17 6.5 Favored Glycine 0 C--N 1.35 1.349 0 N-CA-C 106.743 -2.543 . . . . 0.0 106.743 174.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -146.57 145.19 30.02 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 175.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 . . . . . 0 C--N 1.361 1.099 0 C-N-CA 124.938 1.295 . . . . 0.0 108.009 -177.268 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 . . . . . 0 CA--C 1.517 -0.326 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.439 HG21 HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -108.45 127.68 64.64 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 103.699 -2.704 . . . . 0.0 103.699 178.865 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.8 p -127.39 117.17 21.66 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 177.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . 0.313 1.2 ttt -155.11 162.26 41.05 Favored 'General case' 0 C--N 1.372 1.578 0 CA-C-N 120.682 1.583 . . . . 0.0 114.796 -177.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -131.13 151.88 50.99 Favored 'General case' 0 C--N 1.367 1.33 0 CA-C-O 122.555 1.169 . . . . 0.0 112.927 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.296 0.0 OUTLIER -124.34 130.93 53.38 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 128.03 2.532 . . . . 0.0 104.995 167.757 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -112.5 119.12 37.12 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 102.82 -3.029 . . . . 0.0 102.82 -174.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.79 117.33 50.77 Favored 'Isoleucine or valine' 0 C--N 1.364 1.232 0 N-CA-C 103.695 -2.706 . . . . 0.0 103.695 -170.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.464 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -130.49 131.99 45.41 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 115.796 -2.362 . . . . 0.0 107.554 -176.777 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.32 145.17 16.15 Favored Glycine 0 C--N 1.36 1.909 0 O-C-N 121.28 -0.887 . . . . 0.0 112.836 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -123.72 -178.73 15.52 Favored Glycine 0 C--N 1.349 1.259 0 N-CA-C 106.085 -2.806 . . . . 0.0 106.085 175.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.264 6.2 m 74.17 -61.37 0.5 Allowed 'General case' 0 C--N 1.356 0.851 0 C-N-CA 127.697 2.399 . . . . 0.0 114.591 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.6 p -131.67 157.2 44.36 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 125.032 1.333 . . . . 0.0 108.201 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.544 ' HD2' ' H ' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -66.59 -35.27 79.79 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 128.784 2.834 . . . . 0.0 114.153 175.181 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.83 -35.55 74.87 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 129.96 3.304 . . . . 0.0 113.867 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -62.35 -36.12 81.24 Favored 'General case' 0 C--N 1.366 1.288 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.37 75.67 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 127.862 2.465 . . . . 0.0 114.399 175.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -76.95 -40.86 45.49 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 128.344 2.658 . . . . 0.0 111.26 174.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -64.28 -48.79 74.36 Favored 'General case' 0 C--N 1.376 1.726 0 C-N-CA 127.006 2.122 . . . . 0.0 110.361 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.433 HG21 HG13 ' A' ' 28' ' ' VAL 0.343 4.2 pt -61.6 -37.92 79.04 Favored 'Isoleucine or valine' 0 C--N 1.373 1.622 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 172.515 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . 0.353 2.4 p -68.71 -49.66 57.1 Favored 'General case' 0 C--N 1.374 1.666 0 O-C-N 119.91 -1.744 . . . . 0.0 114.157 170.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.5 t -57.53 -41.7 81.44 Favored 'General case' 0 C--N 1.377 1.792 0 C-N-CA 128.264 2.626 . . . . 0.0 113.577 172.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -74.28 -31.58 62.58 Favored 'General case' 0 C--N 1.371 1.505 0 C-N-CA 125.799 1.64 . . . . 0.0 113.262 173.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.254 1.2 t -63.59 -47.07 93.06 Favored 'Isoleucine or valine' 0 C--N 1.383 2.051 0 CA-C-N 121.876 2.126 . . . . 0.0 111.599 172.266 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.69 -43.27 99.25 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 125.92 1.688 . . . . 0.0 112.866 176.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 52.4 tt0 -61.33 -33.73 74.09 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 125.961 1.704 . . . . 0.0 113.416 170.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.17 -50.83 29.1 Favored 'General case' 0 C--N 1.377 1.766 0 C-N-CA 127.824 2.449 . . . . 0.0 112.192 171.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 67.6 mt -51.26 -26.44 7.25 Favored 'General case' 0 C--N 1.383 2.03 0 C-N-CA 128.522 2.729 . . . . 0.0 116.048 175.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 1.274 0.1 OUTLIER -111.45 12.91 21.47 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 120.361 3.467 . . . . 0.0 120.361 162.485 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -91.83 -50.58 5.65 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 120.732 -1.23 . . . . 0.0 109.807 175.914 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.45 139.31 20.2 Favored Pre-proline 0 C--N 1.366 1.322 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.55 149.57 21.32 Favored 'Trans proline' 0 C--N 1.363 1.334 0 C-N-CA 124.895 3.73 . . . . 0.0 111.16 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.4 mt -92.9 109.03 20.47 Favored 'General case' 0 C--N 1.363 1.176 0 CA-C-O 123.34 1.543 . . . . 0.0 114.931 -172.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 26.9 ttm -143.8 139.35 29.31 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 124.607 1.163 . . . . 0.0 110.269 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -123.4 107.64 11.84 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . 0.347 11.3 pt-20 55.93 16.64 2.2 Favored 'General case' 0 C--N 1.357 0.896 1 C-N-CA 134.431 5.092 . . . . 0.0 117.526 176.762 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 122.25 -10.25 9.37 Favored Glycine 0 C--N 1.348 1.242 0 C-N-CA 126.602 2.048 . . . . 0.0 110.476 -175.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -93.18 126.97 38.56 Favored 'General case' 0 C--N 1.364 1.225 0 CA-C-N 119.026 1.413 . . . . 0.0 110.378 -178.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.0 m -102.49 140.52 36.65 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 124.962 1.305 . . . . 0.0 112.183 -175.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.423 ' CE1' ' HB2' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -134.74 143.68 47.29 Favored 'General case' 0 C--N 1.363 1.164 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 179.649 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.1 t -107.39 129.04 61.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 C-N-CA 125.826 1.65 . . . . 0.0 107.757 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.21 138.61 32.24 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 127.541 2.336 . . . . 0.0 114.745 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.1 tttm . . . . . 0 C--N 1.359 0.985 0 C-N-CA 127.688 2.395 . . . . 0.0 110.968 179.664 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.237 0.43 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -118.16 147.62 18.6 Favored Glycine 0 C--N 1.357 1.717 0 C-N-CA 124.721 1.153 . . . . 0.0 111.498 -174.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 16.2 tt -120.02 116.63 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 N-CA-C 103.333 -2.839 . . . . 0.0 103.333 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.0 mp -114.63 114.54 46.88 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 -177.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -108.89 136.76 47.91 Favored 'General case' 0 C--N 1.362 1.133 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 175.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 73.2 t -131.15 151.53 35.96 Favored 'Isoleucine or valine' 0 C--O 1.244 0.79 0 N-CA-C 104.223 -2.51 . . . . 0.0 104.223 175.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.22 140.06 50.36 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 103.588 -2.745 . . . . 0.0 103.588 173.383 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -126.25 147.32 49.71 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 103.403 -2.814 . . . . 0.0 103.403 -173.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 20.5 m -136.04 143.32 44.64 Favored 'General case' 0 CA--C 1.5 -0.978 0 O-C-N 120.334 -1.479 . . . . 0.0 108.033 -174.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 11.9 pt . . . . . 0 C--N 1.367 1.336 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 171.052 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.2 tp . . . . . 0 C--O 1.223 -0.298 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.09 -51.58 37.17 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 126.377 1.871 . . . . 0.0 113.679 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.44 ' O ' HD12 ' A' ' 10' ' ' LEU . 60.7 p -58.18 -47.39 83.56 Favored 'General case' 0 C--N 1.375 1.691 0 O-C-N 119.912 -1.742 . . . . 0.0 114.056 178.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.787 0.4 OUTLIER -61.7 -34.9 76.58 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 129.831 3.252 . . . . 0.0 115.574 168.905 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.61 -22.61 3.46 Favored 'General case' 0 CA--C 1.568 1.638 0 O-C-N 118.293 -2.754 . . . . 0.0 114.269 163.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.66 HD22 HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -55.72 -32.54 63.43 Favored 'General case' 0 N--CA 1.509 2.518 0 N-CA-C 117.461 2.393 . . . . 0.0 117.461 161.066 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.495 ' N ' HD13 ' A' ' 10' ' ' LEU 0.255 0.1 OUTLIER -70.2 -37.35 75.08 Favored 'General case' 0 C--N 1.375 1.676 0 C-N-CA 130.462 3.505 . . . . 0.0 110.408 173.076 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -63.05 -36.6 84.11 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 170.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.08 -32.63 67.22 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 125.91 1.684 . . . . 0.0 112.986 170.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 m -68.42 -42.12 79.41 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 128.022 2.529 . . . . 0.0 112.217 172.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.4 29.2 m -70.37 -30.58 43.64 Favored 'Isoleucine or valine' 0 C--N 1.385 2.152 0 O-C-N 119.637 -1.914 . . . . 0.0 112.181 169.642 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.427 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 30.9 tt0 -70.07 -35.44 74.22 Favored 'General case' 0 C--N 1.378 1.839 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 170.11 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . 0.447 8.4 p30 -70.43 -34.31 72.33 Favored 'General case' 0 C--N 1.369 1.447 0 O-C-N 120.196 -1.565 . . . . 0.0 113.728 170.193 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.68 -40.4 95.34 Favored 'General case' 0 C--N 1.376 1.739 0 C-N-CA 125.45 1.5 . . . . 0.0 113.218 168.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.427 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 8.4 pt-20 -84.61 -24.14 29.26 Favored 'General case' 0 C--N 1.376 1.727 0 CA-C-N 119.949 1.249 . . . . 0.0 114.298 177.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 t -78.75 -32.84 46.82 Favored 'General case' 0 C--N 1.374 1.672 0 CA-C-N 120.087 1.312 . . . . 0.0 111.131 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.415 ' CD2' ' HB2' ' A' ' 89' ' ' ALA . 20.6 t80 -70.01 97.18 1.12 Allowed 'General case' 0 C--N 1.364 1.232 0 C-N-CA 126.446 1.899 . . . . 0.0 114.479 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.336 6.0 pt20 -40.65 -43.05 3.85 Favored Pre-proline 0 C--N 1.362 1.143 0 N-CA-C 120.778 3.621 . . . . 0.0 120.778 -177.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -66.12 -28.34 48.77 Favored 'Trans proline' 0 CA--C 1.549 1.251 0 C-N-CA 124.567 3.512 . . . . 0.0 116.567 168.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.567 ' HG ' HH11 ' A' ' 85' ' ' ARG . 4.3 tt -79.41 -37.76 36.4 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 125.705 1.602 . . . . 0.0 113.947 -170.236 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.6 ptm -63.97 -28.5 69.86 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 128.5 2.72 . . . . 0.0 114.823 176.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -85.94 -12.39 50.65 Favored 'General case' 0 C--N 1.361 1.098 0 C-N-CA 126.34 1.856 . . . . 0.0 112.08 173.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 18.9 tpp -102.63 -27.8 12.52 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 127.657 2.383 . . . . 0.0 115.781 -176.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.547 HG21 HG12 ' A' ' 44' ' ' VAL 0.252 0.6 OUTLIER -121.54 145.59 27.9 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 -177.324 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -102.76 -11.63 18.2 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 119.706 -1.871 . . . . 0.0 112.073 173.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.539 ' HB2' ' HB2' ' A' ' 43' ' ' TYR 0.649 32.9 mm-40 -136.36 40.17 2.65 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 120.367 3.469 . . . . 0.0 120.367 -152.668 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.423 ' HA ' HG13 ' A' ' 44' ' ' VAL . 3.6 p -86.6 108.79 18.19 Favored 'Isoleucine or valine' 0 C--N 1.373 1.618 0 CA-C-O 125.607 2.622 . . . . 0.0 108.222 177.339 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.6 t -146.04 170.91 15.71 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 110.884 -2.871 . . . . 0.0 108.822 -170.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.51 5.4 10.63 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 126.734 2.014 . . . . 0.0 109.565 177.257 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.2 m -120.43 153.75 56.3 Favored Pre-proline 0 C--N 1.36 1.04 0 C-N-CA 125.827 1.651 . . . . 0.0 107.977 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -63.88 165.14 19.56 Favored 'Trans proline' 0 C--N 1.371 1.712 1 C-N-CA 126.579 4.853 . . . . 0.0 119.069 -174.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.47 49.55 0.04 OUTLIER Glycine 0 C--N 1.377 2.845 0 CA-C-O 121.381 0.434 . . . . 0.0 113.576 -175.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.675 ' HD2' ' H ' ' A' ' 37' ' ' LYS . 2.2 mptt -62.1 -17.24 57.01 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 129.518 3.127 . . . . 0.0 116.375 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -94.92 -2.74 49.97 Favored 'General case' 0 N--CA 1.441 -0.892 1 C-N-CA 132.853 4.461 . . . . 0.0 113.125 179.108 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -90.11 167.1 17.78 Favored Pre-proline 0 C--N 1.366 1.286 0 C-N-CA 125.361 1.464 . . . . 0.0 109.996 176.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -68.37 143.34 57.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 C-N-CA 124.086 3.191 . . . . 0.0 115.154 -176.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -97.86 141.72 23.43 Favored Pre-proline 0 C--N 1.361 1.107 0 C-N-CA 126.859 2.063 . . . . 0.0 109.092 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -81.25 149.41 75.33 Favored 'Cis proline' 0 C--N 1.359 1.121 0 CA-C-N 122.848 2.053 . . . . 0.0 112.846 0.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.539 ' HB2' ' HB2' ' A' ' 30' ' ' GLN . 6.3 p90 -156.29 167.25 31.02 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 124.976 1.31 . . . . 0.0 113.032 -176.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.547 HG12 HG21 ' A' ' 28' ' ' VAL . 9.8 p -135.28 137.89 49.4 Favored 'Isoleucine or valine' 0 C--N 1.402 2.884 0 CA-C-O 125.971 2.796 . . . . 0.0 118.112 -175.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.4 ' HB ' ' CH2' ' A' ' 71' ' ' TRP . 1.0 OUTLIER -117.05 130.77 71.42 Favored 'Isoleucine or valine' 0 C--N 1.362 1.147 0 C-N-CA 128.536 2.735 . . . . 0.0 109.196 173.208 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.3 mt -108.52 136.56 43.79 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 C-N-CA 125.566 1.546 . . . . 0.0 107.833 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -167.07 -133.06 1.47 Allowed Glycine 0 C--N 1.353 1.519 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -146.34 162.71 37.56 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 126.27 1.828 . . . . 0.0 106.477 176.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.366 1.283 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 171.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 . . . . . 0 C--O 1.235 0.303 0 N-CA-C 102.643 -3.095 . . . . 0.0 102.643 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.6 tp -142.72 122.48 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 N-CA-C 102.009 -3.33 . . . . 0.0 102.009 -174.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.7 m -113.73 135.91 53.42 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 125.207 1.403 . . . . 0.0 107.522 -177.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 mtp -131.53 152.12 51.01 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 125.786 1.634 . . . . 0.0 109.405 -178.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -147.8 139.74 24.1 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 170.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -111.19 129.4 55.96 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 104.09 -2.559 . . . . 0.0 104.09 173.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -121.66 118.63 29.64 Favored 'General case' 0 CA--C 1.493 -1.244 0 N-CA-C 104.818 -2.29 . . . . 0.0 104.818 176.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -122.41 134.43 65.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 -174.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.4 ' CH2' ' HB ' ' A' ' 45' ' ' VAL . 2.8 m-90 -123.84 114.72 20.24 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 119.341 -0.944 . . . . 0.0 108.562 176.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.01 173.69 15.05 Favored Glycine 0 C--N 1.359 1.819 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 175.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -139.61 145.84 17.12 Favored Glycine 0 C--N 1.348 1.219 0 N-CA-C 106.124 -2.791 . . . . 0.0 106.124 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.287 87.1 m 143.89 -70.92 0.0 OUTLIER 'General case' 0 C--N 1.354 0.779 0 C-N-CA 130.281 3.433 . . . . 0.0 107.149 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.1 m -162.34 170.46 18.85 Favored 'General case' 0 C--N 1.362 1.131 0 O-C-N 119.354 -2.091 . . . . 0.0 106.337 -178.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -55.38 -34.82 64.67 Favored 'General case' 0 C--N 1.366 1.308 1 C-N-CA 132.552 4.341 . . . . 0.0 114.323 173.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.76 -35.32 61.15 Favored 'General case' 0 C--N 1.372 1.565 0 C-N-CA 130.114 3.366 . . . . 0.0 114.149 175.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -58.45 -32.24 68.53 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 129.351 3.06 . . . . 0.0 114.012 173.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.05 -30.75 71.85 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 126.618 1.967 . . . . 0.0 114.123 175.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -74.24 -43.01 58.76 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 128.58 2.752 . . . . 0.0 111.182 174.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -67.34 -48.22 68.14 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 129.112 2.965 . . . . 0.0 115.583 174.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.435 HG22 ' HE ' ' A' ' 85' ' ' ARG . 5.7 pt -69.68 -38.36 76.13 Favored 'Isoleucine or valine' 0 C--N 1.374 1.657 0 C-N-CA 125.875 1.67 . . . . 0.0 112.97 177.48 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.6 m -66.19 -38.43 88.0 Favored 'General case' 0 C--N 1.378 1.811 0 C-N-CA 125.202 1.401 . . . . 0.0 111.384 173.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.5 m -61.59 -45.71 92.97 Favored 'General case' 0 C--N 1.377 1.777 0 C-N-CA 127.036 2.134 . . . . 0.0 113.634 172.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.567 HH11 ' HG ' ' A' ' 24' ' ' LEU 0.321 33.6 ptt85 -65.88 -46.08 79.72 Favored 'General case' 0 C--N 1.379 1.864 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 174.71 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.271 33.3 m -61.64 -38.68 80.86 Favored 'Isoleucine or valine' 0 C--N 1.385 2.115 0 CA-C-N 120.773 1.624 . . . . 0.0 114.657 174.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.55 -46.61 59.02 Favored 'General case' 0 C--N 1.373 1.598 0 C-N-CA 129.256 3.022 . . . . 0.0 113.916 174.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -66.64 -33.66 76.14 Favored 'General case' 0 C--N 1.376 1.725 0 O-C-N 119.749 -1.844 . . . . 0.0 113.951 174.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.415 ' HB2' ' CD2' ' A' ' 21' ' ' TYR . . . -65.23 -49.6 69.05 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 126.306 1.842 . . . . 0.0 111.088 168.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.258 3.4 tt -49.77 -41.44 44.18 Favored 'General case' 0 C--N 1.373 1.602 0 C-N-CA 128.832 2.853 . . . . 0.0 116.184 177.38 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.355 0.2 OUTLIER -104.71 9.39 35.09 Favored 'General case' 0 C--N 1.365 1.246 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 170.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.28 -52.05 11.79 Favored 'General case' 0 C--N 1.367 1.367 0 O-C-N 119.713 -1.867 . . . . 0.0 106.938 176.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.31 0.0 OUTLIER -121.5 104.44 40.01 Favored Pre-proline 0 C--N 1.352 0.682 0 N-CA-C 103.734 -2.691 . . . . 0.0 103.734 171.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.17 156.94 51.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 123.547 2.831 . . . . 0.0 114.326 -167.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.66 HD13 HD22 ' A' ' 10' ' ' LEU . 5.0 mt -67.52 108.41 2.83 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 127.618 2.367 . . . . 0.0 114.936 -174.244 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 52.4 ttm -144.3 140.57 29.25 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 120.666 -1.271 . . . . 0.0 112.254 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -135.17 108.37 7.73 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 175.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 66.87 18.1 10.6 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 129.961 3.305 . . . . 0.0 115.817 173.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 102.67 -5.78 51.59 Favored Glycine 0 C--N 1.351 1.402 0 C-N-CA 125.698 1.618 . . . . 0.0 111.141 -171.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -87.49 129.43 35.07 Favored 'General case' 0 C--N 1.367 1.367 0 O-C-N 120.638 -1.507 . . . . 0.0 108.625 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.4 p -102.86 150.06 23.88 Favored 'General case' 0 C--N 1.363 1.157 0 CA-C-O 123.557 1.646 . . . . 0.0 112.91 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 10' ' ' LEU . 13.1 m-85 -122.82 115.62 22.32 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 101.378 -3.564 . . . . 0.0 101.378 177.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 81.5 t -106.45 128.11 61.27 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.73 0 C-N-CA 130.008 3.323 . . . . 0.0 105.967 -171.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.21 137.57 35.86 Favored 'General case' 0 C--N 1.363 1.17 0 N-CA-C 116.979 2.214 . . . . 0.0 116.979 -170.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt . . . . . 0 C--N 1.355 0.836 0 C-N-CA 127.232 2.213 . . . . 0.0 107.148 175.475 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 110.839 -0.06 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -108.48 118.78 5.46 Favored Glycine 0 C--N 1.355 1.638 0 N-CA-C 108.351 -1.9 . . . . 0.0 108.351 162.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.73 112.36 39.39 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 N-CA-C 101.209 -3.626 . . . . 0.0 101.209 172.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.6 mp -117.55 113.7 43.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 C-N-CA 126.429 1.892 . . . . 0.0 107.113 -175.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -105.86 138.77 41.49 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 124.802 1.241 . . . . 0.0 111.109 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 1.6 m -144.67 150.08 16.62 Favored 'Isoleucine or valine' 0 C--N 1.361 1.084 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 175.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -117.67 140.23 49.94 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -126.58 150.58 48.77 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 105.642 -1.984 . . . . 0.0 105.642 -178.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 95.8 m -127.63 143.3 51.17 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.9 pt . . . . . 0 C--N 1.361 1.105 0 C-N-CA 130.714 3.606 . . . . 0.0 113.864 -173.785 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 121.108 0.48 . . . . 0.0 111.4 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.9 -33.75 69.08 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 128.063 2.545 . . . . 0.0 114.355 173.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.7 m -62.44 -46.68 87.43 Favored 'General case' 0 C--N 1.373 1.615 0 CA-C-O 123.583 1.658 . . . . 0.0 113.304 172.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' A' ' 11' ' ' GLN 0.619 15.3 ptp180 -74.12 -38.04 63.92 Favored 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 130.043 3.337 . . . . 0.0 116.528 171.461 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.2 -23.88 64.35 Favored 'General case' 0 C--N 1.371 1.521 0 O-C-N 116.444 -3.91 . . . . 0.0 112.793 167.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.502 HD22 ' CZ ' ' A' ' 102' ' ' PHE 0.258 0.5 OUTLIER -65.76 -29.14 69.6 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 127.2 2.2 . . . . 0.0 111.76 163.288 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 8' ' ' ARG 0.408 2.2 pp0? -66.04 -38.05 87.39 Favored 'General case' 0 C--N 1.383 2.033 0 CA-C-N 122.702 2.501 . . . . 0.0 111.755 170.911 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.336 0.0 OUTLIER -67.4 -29.67 69.24 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 165.822 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.65 -41.62 71.89 Favored 'General case' 0 C--N 1.361 1.095 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 171.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.438 HG23 HD12 ' A' ' 95' ' ' LEU . 5.8 m -69.59 -30.35 68.09 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 127.264 2.226 . . . . 0.0 111.484 172.082 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.12 -35.32 52.92 Favored 'Isoleucine or valine' 0 C--N 1.371 1.54 0 O-C-N 119.657 -1.902 . . . . 0.0 112.385 167.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -70.33 -30.32 67.26 Favored 'General case' 0 C--N 1.367 1.336 0 CA-C-O 122.926 1.346 . . . . 0.0 112.397 174.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -43.91 97.8 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 128.565 2.746 . . . . 0.0 112.77 167.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 mp -59.76 -38.77 82.73 Favored 'General case' 0 C--N 1.376 1.729 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 168.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -27.02 64.48 Favored 'General case' 0 C--N 1.369 1.451 0 C-N-CA 127.579 2.352 . . . . 0.0 113.792 171.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 t -76.92 -35.01 57.64 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 125.922 1.689 . . . . 0.0 112.435 176.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -72.49 94.64 1.69 Allowed 'General case' 0 C--N 1.364 1.197 0 CA-C-O 123.069 1.414 . . . . 0.0 113.734 178.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.394 6.1 pt20 -40.62 -49.37 7.16 Favored Pre-proline 0 C--N 1.366 1.284 0 N-CA-C 120.789 3.625 . . . . 0.0 120.789 -173.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -65.95 -20.51 57.7 Favored 'Trans proline' 0 CA--C 1.551 1.326 0 CA-C-N 127.961 3.879 . . . . 0.0 116.212 169.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.38 -33.04 49.12 Favored 'General case' 0 C--N 1.371 1.509 0 CA-C-N 122.172 2.26 . . . . 0.0 112.026 -175.547 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 59.7 mmm -57.12 -27.55 61.92 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 130.872 3.669 . . . . 0.0 114.964 167.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -82.75 -32.67 27.73 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 126.35 1.86 . . . . 0.0 112.518 172.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 61.0 mtt -81.65 -41.13 21.87 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 126.253 1.821 . . . . 0.0 113.497 177.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.478 HG23 ' HA ' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -122.91 143.56 35.41 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 N-CA-C 103.309 -2.849 . . . . 0.0 103.309 172.312 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -101.82 -34.97 9.21 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 129.041 2.936 . . . . 0.0 111.565 174.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -97.33 37.96 1.3 Allowed 'General case' 0 N--CA 1.436 -1.172 1 C-N-CA 137.176 6.19 . . . . 0.0 112.986 -166.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 p -88.17 108.36 18.53 Favored 'Isoleucine or valine' 0 C--N 1.368 1.379 0 CA-C-O 123.781 1.753 . . . . 0.0 107.676 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.6 t -140.48 154.38 46.58 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 113.822 -1.536 . . . . 0.0 112.311 -168.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.65 43.06 0.81 Allowed 'General case' 0 C--N 1.356 0.873 0 C-N-CA 128.261 2.625 . . . . 0.0 115.401 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.411 63.9 m 118.74 -71.11 0.0 OUTLIER Pre-proline 0 C--N 1.358 0.939 0 C-N-CA 129.403 3.081 . . . . 0.0 112.944 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -72.67 138.26 28.89 Favored 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 124.212 3.274 . . . . 0.0 114.026 -173.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 128.61 -12.07 6.28 Favored Glycine 0 C--N 1.358 1.786 0 CA-C-O 123.062 1.368 . . . . 0.0 109.726 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -13.99 24.72 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 130.924 3.689 . . . . 0.0 116.568 -177.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -91.49 -1.66 57.47 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 127.886 2.475 . . . . 0.0 111.774 176.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -95.01 160.57 30.66 Favored Pre-proline 0 C--N 1.362 1.128 0 O-C-N 120.538 -1.351 . . . . 0.0 109.01 175.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -77.98 162.82 28.9 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 124.084 3.189 . . . . 0.0 115.284 -174.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 71' ' ' TRP . 2.4 m-30 -76.17 160.42 78.13 Favored Pre-proline 0 CA--C 1.56 1.358 0 C-N-CA 129.056 2.942 . . . . 0.0 113.634 -179.249 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -77.38 146.84 83.74 Favored 'Cis proline' 0 C--N 1.362 1.251 0 CA-C-N 122.037 1.763 . . . . 0.0 112.426 -0.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.478 ' HA ' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -172.81 168.91 4.98 Favored 'General case' 0 CA--C 1.558 1.261 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 -171.405 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.3 t -137.26 130.04 43.48 Favored 'Isoleucine or valine' 0 C--N 1.392 2.426 0 CA-C-O 123.361 1.553 . . . . 0.0 111.897 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.534 HG22 ' CH2' ' A' ' 71' ' ' TRP . 5.0 m -121.3 146.04 26.93 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 O-C-N 120.543 -1.348 . . . . 0.0 110.278 170.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.2 mm -88.52 140.16 16.24 Favored 'Isoleucine or valine' 0 C--N 1.367 1.338 0 C-N-CA 125.928 1.691 . . . . 0.0 109.217 169.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -143.59 -150.56 5.3 Favored Glycine 0 C--N 1.352 1.417 0 N-CA-C 107.306 -2.318 . . . . 0.0 107.306 168.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -146.21 132.87 19.89 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 100.808 -3.775 . . . . 0.0 100.808 175.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? . . . . . 0 C--N 1.356 0.849 0 CA-C-N 120.3 1.409 . . . . 0.0 107.436 -175.536 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.493 HD21 ' N ' ' A' ' 63' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 122.361 1.077 . . . . 0.0 111.102 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 mp -112.25 130.21 66.36 Favored 'Isoleucine or valine' 0 C--N 1.361 1.069 0 C-N-CA 130.418 3.487 . . . . 0.0 102.825 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 t -131.04 136.43 48.45 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 101.41 -3.552 . . . . 0.0 101.41 172.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 37.2 ttm -147.66 145.79 29.06 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 124.483 1.113 . . . . 0.0 108.519 -171.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.67 146.48 41.66 Favored 'General case' 0 CA--C 1.492 -1.284 0 CA-C-O 123.226 1.489 . . . . 0.0 108.334 175.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.525 ' CZ ' HD21 ' A' ' 90' ' ' LEU 0.358 0.0 OUTLIER -129.44 136.75 50.32 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 103.657 -2.72 . . . . 0.0 103.657 174.173 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.462 ' ND1' HD13 ' A' ' 124' ' ' ILE . 44.8 m-70 -111.7 117.79 33.84 Favored 'General case' 0 C--N 1.357 0.917 1 N-CA-C 98.952 -4.462 . . . . 0.0 98.952 -175.56 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.4 t -122.57 111.29 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.166 0 N-CA-C 103.247 -2.872 . . . . 0.0 103.247 -167.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.534 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -130.75 138.49 49.99 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 117.562 -1.655 . . . . 0.0 108.897 -173.859 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -147.49 166.63 28.65 Favored Glycine 0 CA--C 1.485 -1.824 0 CA-C-O 123.115 1.397 . . . . 0.0 113.036 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -174.5 112.13 0.39 Allowed Glycine 0 CA--C 1.49 -1.515 0 N-CA-C 104.064 -3.614 . . . . 0.0 104.064 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.2 m -167.75 -51.02 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 -175.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 m -143.57 155.54 44.32 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 102.803 -3.036 . . . . 0.0 102.803 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -62.84 -35.66 80.67 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 129.079 2.951 . . . . 0.0 115.775 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.04 -35.43 64.33 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 130.703 3.601 . . . . 0.0 113.174 176.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.269 21.8 tt0 -58.66 -36.42 74.11 Favored 'General case' 0 C--N 1.366 1.308 0 N-CA-C 117.664 2.468 . . . . 0.0 117.664 -174.061 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.32 92.87 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 126.7 2.0 . . . . 0.0 114.186 173.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -77.12 -32.16 56.28 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 128.268 2.627 . . . . 0.0 110.591 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -66.93 -50.05 63.59 Favored 'General case' 0 C--N 1.371 1.513 0 C-N-CA 125.86 1.664 . . . . 0.0 112.398 169.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.269 17.8 pt -58.3 -38.18 67.49 Favored 'Isoleucine or valine' 0 C--N 1.38 1.9 0 CA-C-N 121.438 1.926 . . . . 0.0 113.782 174.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.1 m -65.25 -49.84 68.07 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 127.409 2.284 . . . . 0.0 114.63 174.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.2 m -70.54 -35.97 73.44 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 128.405 2.682 . . . . 0.0 113.258 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 84.7 mmt-85 -76.17 -33.46 59.34 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 127.726 2.41 . . . . 0.0 111.931 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.56 -47.59 88.47 Favored 'Isoleucine or valine' 0 C--N 1.384 2.085 0 C-N-CA 126.286 1.834 . . . . 0.0 110.634 168.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.08 -50.04 73.56 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 128.175 2.59 . . . . 0.0 114.819 176.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.07 -38.2 82.14 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 128.116 2.567 . . . . 0.0 111.405 172.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.45 98.87 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 126.058 1.743 . . . . 0.0 113.88 168.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.525 HD21 ' CZ ' ' A' ' 68' ' ' PHE . 39.8 mt -57.12 -29.63 63.71 Favored 'General case' 0 C--N 1.389 2.324 0 C-N-CA 127.393 2.277 . . . . 0.0 114.252 174.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 1.014 0.2 OUTLIER -115.78 10.96 15.5 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 119.858 3.281 . . . . 0.0 119.858 168.432 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.46 -49.72 11.03 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 126.401 1.88 . . . . 0.0 107.464 170.207 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -108.69 148.92 38.74 Favored Pre-proline 0 C--N 1.358 0.969 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -79.19 159.21 26.62 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 124.64 3.56 . . . . 0.0 111.579 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.438 HD12 HG23 ' A' ' 14' ' ' THR . 0.1 OUTLIER -96.78 107.45 19.93 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 3.8 mtp -143.83 141.04 30.15 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.436 1.494 . . . . 0.0 110.863 -174.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -131.57 107.56 8.94 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 103.407 -2.812 . . . . 0.0 103.407 173.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 73.52 25.27 2.13 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 130.003 3.321 . . . . 0.0 114.577 175.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.31 2.88 61.79 Favored Glycine 0 C--N 1.36 1.892 0 C-N-CA 125.708 1.623 . . . . 0.0 113.382 -177.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -100.09 124.63 45.7 Favored 'General case' 0 C--N 1.36 1.039 0 CA-C-N 117.58 0.69 . . . . 0.0 109.703 -176.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 m -98.13 139.13 34.39 Favored 'General case' 0 C--N 1.373 1.598 0 C-N-CA 124.602 1.161 . . . . 0.0 113.991 -173.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.502 ' CZ ' HD22 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -127.48 144.95 50.99 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 -179.35 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -106.0 124.24 61.1 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 C-N-CA 124.164 0.986 . . . . 0.0 109.734 -171.221 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.17 137.98 35.87 Favored 'General case' 0 C--N 1.362 1.115 0 C-N-CA 126.845 2.058 . . . . 0.0 113.326 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt . . . . . 0 C--N 1.353 0.738 0 N-CA-C 105.74 -1.948 . . . . 0.0 105.74 177.588 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 . . . . . 0 N--CA 1.436 -1.165 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.75 137.36 9.37 Favored Glycine 0 C--N 1.351 1.372 0 N-CA-C 108.68 -1.768 . . . . 0.0 108.68 176.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.462 HD13 ' ND1' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -111.29 122.87 66.53 Favored 'Isoleucine or valine' 0 C--N 1.361 1.081 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 175.841 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.3 mt -113.89 116.29 52.17 Favored 'Isoleucine or valine' 0 C--N 1.362 1.136 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 -177.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -108.63 140.22 42.31 Favored 'General case' 0 CA--C 1.488 -1.404 0 C-N-CA 125.615 1.566 . . . . 0.0 107.71 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . 0.281 3.5 p -141.94 144.57 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 0 CA-C-N 113.969 -1.469 . . . . 0.0 107.36 171.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -117.47 139.73 50.53 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 127.839 2.456 . . . . 0.0 104.473 178.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -131.9 140.46 49.07 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 103.988 -2.597 . . . . 0.0 103.988 -176.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 62.5 m -128.48 143.12 50.93 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 -176.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.2 pt . . . . . 0 C--N 1.354 0.801 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 176.105 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.0 tp . . . . . 0 CA--C 1.531 0.241 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.71 -36.27 82.1 Favored 'General case' 0 C--N 1.374 1.637 0 C-N-CA 125.385 1.474 . . . . 0.0 114.486 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.9 m -58.51 -47.2 84.92 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 127.541 2.336 . . . . 0.0 114.303 175.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.527 71.9 ttt180 -73.73 -37.88 64.97 Favored 'General case' 0 C--O 1.249 1.056 0 C-N-CA 127.591 2.356 . . . . 0.0 116.396 172.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.82 -23.77 54.22 Favored 'General case' 0 CA--C 1.557 1.238 0 O-C-N 118.743 -2.473 . . . . 0.0 114.495 168.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.63 HD23 ' CD1' ' A' ' 102' ' ' PHE 0.452 0.0 OUTLIER -63.42 -28.36 69.93 Favored 'General case' 0 C--N 1.376 1.76 0 O-C-N 119.267 -2.146 . . . . 0.0 114.707 164.04 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -69.71 -41.04 75.9 Favored 'General case' 0 C--N 1.377 1.781 0 C-N-CA 126.524 1.93 . . . . 0.0 109.502 175.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.321 0.0 OUTLIER -67.44 -29.89 69.48 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 166.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.01 -36.74 69.79 Favored 'General case' 0 C--N 1.365 1.279 0 O-C-N 119.833 -1.792 . . . . 0.0 112.749 172.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.314 6.8 m -70.39 -36.9 74.38 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 126.737 2.015 . . . . 0.0 111.455 174.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.07 -31.67 54.72 Favored 'Isoleucine or valine' 0 C--N 1.374 1.656 0 C-N-CA 125.517 1.527 . . . . 0.0 113.103 169.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -70.92 -30.21 66.48 Favored 'General case' 0 C--N 1.37 1.496 0 C-N-CA 124.488 1.115 . . . . 0.0 113.833 171.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -66.53 -43.59 84.77 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 126.402 1.881 . . . . 0.0 111.395 170.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.534 HD21 HD12 ' A' ' 90' ' ' LEU . 16.3 mt -59.18 -40.73 86.59 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 125.265 1.426 . . . . 0.0 114.459 170.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -24.29 57.05 Favored 'General case' 0 C--N 1.369 1.422 0 C-N-CA 124.391 1.076 . . . . 0.0 113.164 173.314 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -81.9 -20.98 37.67 Favored 'General case' 0 C--N 1.37 1.481 0 C-N-CA 125.346 1.458 . . . . 0.0 114.757 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -83.61 103.91 13.31 Favored 'General case' 0 C--N 1.366 1.313 0 CA-C-N 120.33 1.423 . . . . 0.0 114.793 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.461 ' HG2' ' HD3' ' A' ' 23' ' ' PRO 0.422 6.7 pm0 -41.03 -49.86 7.9 Favored Pre-proline 0 C--N 1.372 1.552 0 N-CA-C 119.161 3.023 . . . . 0.0 119.161 179.525 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.461 ' HD3' ' HG2' ' A' ' 22' ' ' GLN . 19.3 Cg_exo -65.99 -26.56 50.98 Favored 'Trans proline' 0 CA--C 1.545 1.036 0 C-N-CA 125.002 3.801 . . . . 0.0 115.564 170.182 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.91 -40.7 18.24 Favored 'General case' 0 C--N 1.369 1.433 0 CA-C-N 120.918 1.69 . . . . 0.0 111.567 -176.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . 0.276 0.1 OUTLIER -64.81 -27.79 69.12 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 126.229 1.812 . . . . 0.0 113.655 169.094 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -74.79 -21.88 59.06 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 125.116 1.366 . . . . 0.0 113.04 169.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -102.33 -18.63 15.34 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 127.038 2.135 . . . . 0.0 116.225 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.473 HG21 ' HB ' ' A' ' 31' ' ' VAL . 9.4 m -121.62 145.07 28.81 Favored 'Isoleucine or valine' 0 C--N 1.371 1.506 0 O-C-N 119.116 -2.24 . . . . 0.0 105.886 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -102.69 -12.0 17.99 Favored 'General case' 0 C--N 1.362 1.133 0 O-C-N 119.477 -2.015 . . . . 0.0 112.986 177.641 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.446 ' HB3' ' CB ' ' A' ' 43' ' ' TYR 0.644 3.2 tp-100 -136.77 39.45 2.59 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 129.824 3.25 . . . . 0.0 118.132 -161.615 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.473 ' HB ' HG21 ' A' ' 28' ' ' VAL . 5.8 p -85.44 109.25 18.08 Favored 'Isoleucine or valine' 0 C--N 1.366 1.319 0 CA-C-O 125.121 2.391 . . . . 0.0 107.808 176.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.5 t -146.43 168.87 20.11 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 111.871 -2.422 . . . . 0.0 111.464 -171.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -108.39 -11.37 15.19 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 127.188 2.195 . . . . 0.0 113.245 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.274 5.9 m -176.15 -71.02 0.0 OUTLIER Pre-proline 0 C--N 1.357 0.893 0 CA-C-O 116.454 -1.736 . . . . 0.0 108.831 179.224 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.81 136.27 27.43 Favored 'Trans proline' 0 C--N 1.362 1.278 0 CA-C-N 126.09 3.211 . . . . 0.0 110.984 -178.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.29 -18.83 41.31 Favored Glycine 0 C--N 1.35 1.334 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 -171.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.333 0.0 OUTLIER -49.94 -15.12 0.17 Allowed 'General case' 0 C--N 1.361 1.092 0 N-CA-C 120.336 3.458 . . . . 0.0 120.336 -178.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -106.12 11.47 31.35 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 128.085 2.554 . . . . 0.0 113.007 175.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.58 144.98 28.77 Favored Pre-proline 0 C--N 1.366 1.305 0 C-N-CA 125.509 1.523 . . . . 0.0 110.778 178.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.12 162.64 40.93 Favored 'Trans proline' 0 C--N 1.362 1.253 0 C-N-CA 125.2 3.933 . . . . 0.0 119.969 -163.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -70.22 140.05 87.72 Favored Pre-proline 0 C--N 1.362 1.15 1 C-N-CA 132.829 4.452 . . . . 0.0 116.379 -176.411 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -78.79 147.45 81.09 Favored 'Cis proline' 0 C--N 1.371 1.724 0 CA-C-N 120.989 1.389 . . . . 0.0 115.58 4.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.446 ' CB ' ' HB3' ' A' ' 30' ' ' GLN 0.26 16.7 p90 -166.72 168.87 13.96 Favored 'General case' 0 C--N 1.37 1.465 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -177.159 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.6 t -136.18 124.65 36.81 Favored 'Isoleucine or valine' 0 C--N 1.401 2.846 0 CA-C-O 123.225 1.488 . . . . 0.0 112.006 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.1 m -116.67 139.85 41.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 120.82 -1.175 . . . . 0.0 110.619 175.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.3 mm -75.51 140.41 17.42 Favored 'Isoleucine or valine' 0 C--N 1.375 1.699 0 C-N-CA 127.754 2.422 . . . . 0.0 109.191 169.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.51 -166.29 23.19 Favored Glycine 0 CA--C 1.488 -1.656 0 N-CA-C 108.565 -1.814 . . . . 0.0 108.565 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -145.69 121.21 10.38 Favored 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 105.844 -1.91 . . . . 0.0 105.844 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.353 0.753 0 C-N-CA 126.058 1.743 . . . . 0.0 106.79 -177.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 . . . . . 0 N--CA 1.443 -0.816 0 CA-C-O 124.039 1.876 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.604 HG21 HD11 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -111.01 121.65 64.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 C-N-CA 129.58 3.152 . . . . 0.0 103.162 -177.548 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.4 p -111.15 126.52 54.93 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.784 1.634 . . . . 0.0 108.035 177.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.9 ptt? -142.48 142.56 32.31 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-N 120.825 1.648 . . . . 0.0 113.3 177.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.48 154.25 38.07 Favored 'General case' 0 C--N 1.367 1.344 0 CA-C-O 124.66 2.171 . . . . 0.0 108.438 174.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.62 141.01 39.14 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 102.355 -3.202 . . . . 0.0 102.355 171.006 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -113.45 124.61 52.82 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 102.32 -3.215 . . . . 0.0 102.32 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -124.71 112.96 34.01 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.143 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 -168.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.99 130.26 35.47 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 117.143 -1.823 . . . . 0.0 110.981 -174.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -122.72 60.01 0.58 Allowed Glycine 0 C--N 1.369 2.382 0 N-CA-C 115.566 0.986 . . . . 0.0 115.566 -170.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -75.25 90.89 0.82 Allowed Glycine 0 C--N 1.355 1.638 0 C-N-CA 126.199 1.856 . . . . 0.0 113.309 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.6 m -169.31 -45.57 0.02 OUTLIER 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.9 m -160.42 151.16 18.64 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 102.821 -3.029 . . . . 0.0 102.821 175.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -62.38 -35.68 79.93 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.689 1.996 . . . . 0.0 115.545 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.75 -35.67 76.98 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 128.965 2.906 . . . . 0.0 115.127 174.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -62.09 -33.5 74.56 Favored 'General case' 0 C--N 1.369 1.438 0 C-N-CA 127.428 2.291 . . . . 0.0 114.207 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.11 -34.73 78.72 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 129.295 3.038 . . . . 0.0 114.31 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -77.7 -38.45 47.37 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 127.519 2.327 . . . . 0.0 111.421 175.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -66.69 -46.37 75.82 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 126.589 1.956 . . . . 0.0 111.882 172.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 23.9 pt -70.34 -39.27 76.39 Favored 'Isoleucine or valine' 0 C--N 1.369 1.456 0 O-C-N 119.881 -1.762 . . . . 0.0 114.164 175.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.6 p -68.67 -49.91 55.28 Favored 'General case' 0 C--N 1.372 1.57 0 CA-C-N 120.937 1.698 . . . . 0.0 114.519 175.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.2 m -61.29 -46.81 88.77 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 127.043 2.137 . . . . 0.0 114.085 175.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . 0.251 10.1 mpt_? -74.66 -29.47 61.26 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 124.349 1.06 . . . . 0.0 112.574 176.165 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.375 1.5 p -68.58 -44.88 82.46 Favored 'Isoleucine or valine' 0 C--N 1.385 2.113 0 CA-C-N 121.738 2.063 . . . . 0.0 113.813 173.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.437 HD11 HD13 ' A' ' 125' ' ' ILE . 10.7 mp -66.79 -37.96 85.59 Favored 'General case' 0 C--N 1.379 1.869 0 O-C-N 119.116 -2.24 . . . . 0.0 112.455 174.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 17.0 tp10 -61.65 -34.78 76.3 Favored 'General case' 0 C--N 1.378 1.812 0 CA-C-O 116.674 -1.631 . . . . 0.0 112.715 171.015 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.77 -46.03 73.21 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 127.826 2.45 . . . . 0.0 113.483 171.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.534 HD12 HD21 ' A' ' 18' ' ' LEU . 10.1 mp -48.4 -48.01 37.3 Favored 'General case' 0 C--N 1.39 2.348 0 C-N-CA 128.305 2.642 . . . . 0.0 114.018 176.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.789 0.2 OUTLIER -106.07 11.61 31.28 Favored 'General case' 0 C--N 1.368 1.397 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 174.243 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.437 ' HB3' ' O ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -79.5 -44.15 21.79 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 119.666 -1.897 . . . . 0.0 108.197 174.338 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.15 107.32 47.84 Favored Pre-proline 0 C--N 1.356 0.872 0 N-CA-C 100.207 -3.998 . . . . 0.0 100.207 175.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.7 163.39 35.89 Favored 'Trans proline' 0 C--N 1.37 1.688 1 C-N-CA 125.565 4.177 . . . . 0.0 114.537 -166.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.1 mt -80.58 106.87 12.91 Favored 'General case' 0 C--N 1.37 1.49 0 CA-C-O 124.277 1.989 . . . . 0.0 114.744 -170.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 47.2 ttm -145.32 143.06 29.96 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 111.643 -2.526 . . . . 0.0 109.642 -179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -134.84 110.06 8.93 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 172.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 60.72 34.22 19.99 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 130.547 3.539 . . . . 0.0 115.972 173.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 94.24 -6.82 72.24 Favored Glycine 0 C--N 1.351 1.387 0 C-N-CA 125.885 1.707 . . . . 0.0 112.858 -173.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -95.68 124.14 39.56 Favored 'General case' 0 C--N 1.366 1.311 0 CA-C-N 119.572 1.686 . . . . 0.0 108.555 -177.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.6 p -95.42 148.75 22.14 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 127.867 2.467 . . . . 0.0 112.04 -175.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.63 ' CD1' HD23 ' A' ' 10' ' ' LEU 0.252 0.1 OUTLIER -136.12 146.72 47.26 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 178.246 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -106.93 121.88 60.29 Favored 'Isoleucine or valine' 0 C--N 1.358 0.961 0 C-N-CA 124.964 1.305 . . . . 0.0 111.013 -173.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.33 129.36 34.45 Favored 'General case' 0 C--N 1.372 1.562 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -176.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp . . . . . 0 C--N 1.354 0.799 0 C-N-CA 125.043 1.337 . . . . 0.0 108.3 -173.781 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 . . . . . 0 CA--C 1.507 -0.708 0 N-CA-C 105.071 -2.196 . . . . 0.0 105.071 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.81 141.63 12.97 Favored Glycine 0 C--N 1.357 1.703 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 176.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.55 114.35 46.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 1 N-CA-C 100.074 -4.047 . . . . 0.0 100.074 166.925 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.437 HD13 HD11 ' A' ' 87' ' ' LEU . 15.5 mt -118.51 122.04 68.53 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 C-N-CA 124.104 0.962 . . . . 0.0 108.968 -172.42 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -114.78 140.02 49.25 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 124.75 1.22 . . . . 0.0 107.759 175.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.2 t -133.01 156.58 42.38 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 N-CA-C 103.921 -2.622 . . . . 0.0 103.921 169.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . 0.415 42.1 ptt85 -135.11 141.02 45.91 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 125.53 1.532 . . . . 0.0 114.19 173.093 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.23 139.27 54.08 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 125.426 1.49 . . . . 0.0 108.353 -172.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 54.5 m -115.61 128.98 56.33 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 122.547 1.165 . . . . 0.0 109.439 -177.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.5 pt . . . . . 0 C--N 1.359 1.006 0 N-CA-C 104.597 -2.371 . . . . 0.0 104.597 174.308 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 pt? . . . . . 0 CA--C 1.502 -0.903 0 N-CA-C 119.995 3.331 . . . . 0.0 119.995 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.49 -51.04 39.61 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 120.956 1.707 . . . . 0.0 112.455 173.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 1.3 p -55.41 -47.11 76.44 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 128.742 2.817 . . . . 0.0 118.067 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.729 6.9 ptp180 -75.42 -37.22 60.56 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 119.38 3.104 . . . . 0.0 119.38 167.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.412 ' HA ' ' HG3' ' A' ' 12' ' ' LYS 0.299 . . -59.07 -22.44 60.78 Favored 'General case' 0 C--N 1.368 1.39 0 O-C-N 118.983 -2.323 . . . . 0.0 114.61 175.186 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.801 HD23 ' CD1' ' A' ' 102' ' ' PHE 0.361 0.9 OUTLIER -55.07 -40.89 70.84 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 130.354 3.462 . . . . 0.0 114.124 161.726 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.536 ' HG3' ' HB3' ' A' ' 66' ' ' MET 0.333 5.3 mm-40 -70.55 -37.83 74.09 Favored 'General case' 0 C--N 1.374 1.646 0 O-C-N 120.076 -1.64 . . . . 0.0 111.727 172.408 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.412 ' HG3' ' HA ' ' A' ' 9' ' ' ALA 0.373 0.0 OUTLIER -66.39 -30.05 70.34 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 167.14 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.23 -35.49 68.88 Favored 'General case' 0 C--N 1.366 1.309 0 O-C-N 119.963 -1.71 . . . . 0.0 114.019 170.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 m -70.24 -39.27 75.15 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 127.975 2.51 . . . . 0.0 110.235 172.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.25 -31.4 53.48 Favored 'Isoleucine or valine' 0 C--N 1.37 1.484 0 O-C-N 120.05 -1.656 . . . . 0.0 112.814 169.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -70.78 -31.86 68.78 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 125.337 1.455 . . . . 0.0 113.033 171.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.525 ' HB2' ' HB3' ' A' ' 93' ' ' LYS 0.405 1.9 p30 -68.28 -37.97 81.21 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 124.559 1.143 . . . . 0.0 113.482 171.757 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.547 ' O ' HD11 ' A' ' 24' ' ' LEU . 3.4 mp -56.45 -51.71 67.39 Favored 'General case' 0 C--N 1.374 1.633 0 C-N-CA 126.295 1.838 . . . . 0.0 112.989 165.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.26 9.6 pt-20 -72.5 -15.39 61.79 Favored 'General case' 0 C--N 1.369 1.416 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 174.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.4 m -80.71 -31.03 36.28 Favored 'General case' 0 C--N 1.371 1.54 0 C-N-CA 125.213 1.405 . . . . 0.0 112.029 174.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -78.07 93.74 4.56 Favored 'General case' 0 C--N 1.367 1.362 0 CA-C-O 122.893 1.33 . . . . 0.0 111.976 177.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.346 11.7 pt20 -49.65 -37.91 27.98 Favored Pre-proline 0 C--N 1.365 1.26 0 N-CA-C 119.091 2.997 . . . . 0.0 119.091 -178.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.48 -20.31 65.89 Favored 'Trans proline' 0 C--N 1.363 1.306 0 CA-C-N 125.358 2.949 . . . . 0.0 115.096 169.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.547 HD11 ' O ' ' A' ' 18' ' ' LEU 0.404 2.4 pp -87.31 -15.44 38.0 Favored 'General case' 0 C--N 1.382 2.0 0 CA-C-N 123.872 3.033 . . . . 0.0 112.514 176.306 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 98.5 mmm -64.98 -27.82 69.09 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 126.483 1.913 . . . . 0.0 115.38 176.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -90.7 -9.16 47.8 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 125.367 1.467 . . . . 0.0 112.292 172.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -102.12 -23.35 14.07 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 126.41 1.884 . . . . 0.0 113.364 177.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 m -125.82 145.88 32.52 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 N-CA-C 104.636 -2.357 . . . . 0.0 104.636 176.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -102.46 -42.07 6.09 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 124.867 2.27 . . . . 0.0 110.747 167.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.574 3.1 mp0 -98.06 39.42 1.23 Allowed 'General case' 0 N--CA 1.439 -1.024 1 C-N-CA 137.183 6.193 . . . . 0.0 118.103 -166.816 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -86.15 111.49 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 O-C-N 119.171 -2.205 . . . . 0.0 107.805 176.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.428 HG23 HG12 ' A' ' 45' ' ' VAL . 9.9 t -142.3 167.72 21.44 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 123.908 1.813 . . . . 0.0 112.529 -166.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -78.59 -102.13 0.02 OUTLIER 'General case' 0 C--N 1.361 1.075 0 C-N-CA 128.232 2.613 . . . . 0.0 109.982 174.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 t -93.71 -53.53 0.25 Allowed Pre-proline 0 C--N 1.36 1.046 0 CA-C-O 115.238 -2.315 . . . . 0.0 114.975 178.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -72.95 137.45 26.75 Favored 'Trans proline' 0 C--N 1.363 1.308 0 CA-C-N 126.571 3.382 . . . . 0.0 113.676 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.71 18.36 7.01 Favored Glycine 0 C--N 1.359 1.82 0 C-N-CA 124.27 0.938 . . . . 0.0 114.3 175.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.424 ' CB ' HG11 ' A' ' 45' ' ' VAL 0.33 0.0 OUTLIER -74.69 -15.46 60.79 Favored 'General case' 0 C--N 1.362 1.123 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -177.078 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -107.11 15.9 24.71 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 130.585 3.554 . . . . 0.0 113.239 174.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -92.93 170.9 8.1 Favored Pre-proline 0 C--N 1.366 1.283 0 C-N-CA 125.624 1.57 . . . . 0.0 111.566 -176.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -57.41 143.8 93.25 Favored 'Trans proline' 0 C--N 1.366 1.494 0 C-N-CA 124.902 3.735 . . . . 0.0 119.617 -172.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -91.95 135.77 26.92 Favored Pre-proline 0 N--CA 1.45 -0.428 0 C-N-CA 128.329 2.652 . . . . 0.0 109.784 -175.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -78.22 151.49 90.16 Favored 'Cis proline' 0 CA--C 1.539 0.773 0 CA-C-N 123.315 2.22 . . . . 0.0 115.071 1.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -175.48 166.99 3.3 Favored 'General case' 0 CA--C 1.56 1.344 0 O-C-N 121.384 -0.823 . . . . 0.0 112.659 -174.154 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 51.6 t -138.15 136.91 44.68 Favored 'Isoleucine or valine' 0 C--N 1.393 2.468 0 O-C-N 121.242 -0.911 . . . . 0.0 113.01 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.428 HG12 HG23 ' A' ' 32' ' ' THR . 14.2 m -113.03 153.25 14.64 Favored 'Isoleucine or valine' 0 C--N 1.368 1.396 0 O-C-N 120.221 -1.55 . . . . 0.0 111.107 167.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 21.1 mm -85.23 138.76 18.52 Favored 'Isoleucine or valine' 0 C--N 1.368 1.381 0 C-N-CA 125.538 1.535 . . . . 0.0 110.802 169.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -146.51 -164.67 11.12 Favored Glycine 0 C--N 1.356 1.66 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 176.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -145.69 121.47 10.56 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.363 1.18 0 C-N-CA 126.349 1.86 . . . . 0.0 109.203 -173.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 124.185 1.945 . . . . 0.0 115.403 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.483 HG21 HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -107.67 122.19 61.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 1 C-N-CA 133.253 4.621 . . . . 0.0 103.175 178.402 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.9 p -115.09 116.71 28.86 Favored 'General case' 0 C--N 1.368 1.37 0 CA-C-N 121.27 1.85 . . . . 0.0 106.596 170.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.536 ' HB3' ' HG3' ' A' ' 11' ' ' GLN 0.268 3.5 ttt -155.2 161.33 41.22 Favored 'General case' 0 C--N 1.372 1.55 0 CA-C-N 121.468 1.94 . . . . 0.0 114.147 178.793 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.508 ' OD1' ' CD2' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -131.9 164.4 26.2 Favored 'General case' 0 C--N 1.369 1.415 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -175.127 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.473 ' CZ ' HD11 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -127.55 137.8 52.71 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 103.378 -2.823 . . . . 0.0 103.378 166.869 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.508 ' CD2' ' OD1' ' A' ' 67' ' ' ASP . 33.8 m-70 -112.66 119.09 36.89 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 103.201 -2.889 . . . . 0.0 103.201 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 p -115.15 131.04 68.6 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.075 0 C-N-CA 124.396 1.078 . . . . 0.0 108.647 -174.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.423 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -132.39 135.62 46.25 Favored 'General case' 0 C--N 1.36 1.065 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 173.096 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.73 31.8 4.04 Favored Glycine 0 C--N 1.371 2.523 0 C-N-CA 124.759 1.171 . . . . 0.0 113.596 -176.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.9 70.38 0.01 OUTLIER Glycine 0 C--N 1.356 1.672 0 C-N-CA 129.658 3.504 . . . . 0.0 119.801 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.89 -78.63 0.25 Allowed 'General case' 0 CA--C 1.502 -0.888 0 N-CA-C 104.446 -2.427 . . . . 0.0 104.446 -176.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.5 p -118.83 170.04 9.34 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 126.462 1.905 . . . . 0.0 107.587 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.554 ' H ' ' HD3' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -66.6 -45.69 78.35 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 128.829 2.852 . . . . 0.0 113.741 175.217 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.63 -35.47 80.26 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 131.178 3.791 . . . . 0.0 114.918 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -58.97 -33.33 70.53 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 126.357 1.863 . . . . 0.0 115.034 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.74 -45.79 73.96 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 128.661 2.784 . . . . 0.0 115.022 175.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -74.35 -31.06 62.27 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 125.187 1.395 . . . . 0.0 111.368 176.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -67.46 -51.6 49.53 Favored 'General case' 0 C--N 1.374 1.633 0 C-N-CA 124.878 1.271 . . . . 0.0 113.077 168.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.286 10.8 pt -64.66 -39.69 86.49 Favored 'Isoleucine or valine' 0 C--N 1.381 1.945 0 CA-C-N 120.897 1.68 . . . . 0.0 114.154 176.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.5 m -68.11 -49.47 60.95 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 125.745 1.618 . . . . 0.0 113.983 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . 0.289 83.0 p -63.17 -40.38 97.38 Favored 'General case' 0 C--N 1.37 1.499 0 O-C-N 119.382 -2.073 . . . . 0.0 113.776 175.087 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 86.6 mmt-85 -69.13 -33.1 72.91 Favored 'General case' 0 C--N 1.371 1.502 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 171.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.312 0.3 OUTLIER -67.97 -46.14 82.41 Favored 'Isoleucine or valine' 0 C--N 1.384 2.098 0 C-N-CA 125.817 1.647 . . . . 0.0 113.529 175.682 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.6 -38.89 84.64 Favored 'General case' 0 C--N 1.379 1.881 0 O-C-N 119.839 -1.788 . . . . 0.0 112.532 175.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.444 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 17.1 tp10 -59.45 -41.7 90.29 Favored 'General case' 0 C--N 1.38 1.892 0 C-N-CA 126.372 1.869 . . . . 0.0 111.856 172.047 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.59 -45.34 79.55 Favored 'General case' 0 C--N 1.376 1.743 0 C-N-CA 126.229 1.812 . . . . 0.0 114.348 173.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.473 HD11 ' CZ ' ' A' ' 68' ' ' PHE . 1.5 mp -45.76 -49.8 14.56 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 130.979 3.711 . . . . 0.0 115.113 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.636 0.2 OUTLIER -105.64 11.09 32.65 Favored 'General case' 0 C--N 1.367 1.367 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 169.733 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.444 ' HB3' ' O ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -76.37 -45.9 29.85 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 119.02 -2.3 . . . . 0.0 109.687 176.019 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 17' ' ' ASN 0.286 0.5 OUTLIER -119.93 99.57 48.94 Favored Pre-proline 0 C--N 1.354 0.785 0 N-CA-C 104.837 -2.283 . . . . 0.0 104.837 -179.268 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -55.15 163.16 4.74 Favored 'Trans proline' 0 C--N 1.389 2.665 1 C-N-CA 127.193 5.262 . . . . 0.0 120.131 -164.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.5 mt -87.18 107.01 18.28 Favored 'General case' 0 C--N 1.367 1.347 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -171.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 19.5 ttt -144.79 142.19 29.79 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 113.464 -1.698 . . . . 0.0 111.078 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -133.53 107.16 7.84 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.645 1.978 . . . . 0.0 105.745 170.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 65.43 -71.45 0.08 Allowed 'General case' 0 C--N 1.348 0.54 1 C-N-CA 132.601 4.361 . . . . 0.0 117.387 169.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -139.94 16.81 3.01 Favored Glycine 0 CA--C 1.493 -1.296 0 N-CA-C 107.276 -2.329 . . . . 0.0 107.276 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -122.61 124.65 43.97 Favored 'General case' 0 C--N 1.363 1.17 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.6 m -116.35 131.96 56.8 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 127.771 2.428 . . . . 0.0 105.016 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.801 ' CD1' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -132.67 142.65 49.18 Favored 'General case' 0 C--N 1.362 1.121 0 CA-C-O 122.485 1.136 . . . . 0.0 111.829 -171.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.8 t -106.88 131.66 56.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 C-N-CA 124.849 1.26 . . . . 0.0 111.009 -175.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.62 111.22 16.84 Favored 'General case' 0 C--N 1.369 1.437 0 CA-C-O 122.671 1.224 . . . . 0.0 110.698 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.4 tttm . . . . . 0 C--N 1.352 0.686 0 C-N-CA 126.364 1.866 . . . . 0.0 106.002 -172.662 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.7 p80 . . . . . 0 N--CA 1.446 -0.651 0 CA-C-O 120.951 0.405 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.6 142.4 13.8 Favored Glycine 0 C--N 1.362 2.007 0 N-CA-C 107.447 -2.261 . . . . 0.0 107.447 170.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.478 HD11 ' CG ' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -117.96 119.46 61.54 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 N-CA-C 101.36 -3.57 . . . . 0.0 101.36 173.771 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 44.5 mt -115.93 112.78 41.08 Favored 'Isoleucine or valine' 0 C--N 1.362 1.132 0 N-CA-C 105.892 -1.892 . . . . 0.0 105.892 -175.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -118.92 139.13 52.16 Favored 'General case' 0 CA--C 1.495 -1.144 0 O-C-N 120.366 -1.459 . . . . 0.0 107.212 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 4.7 t -130.95 147.8 33.07 Favored 'Isoleucine or valine' 0 C--O 1.248 1.01 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 174.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -111.11 135.82 51.06 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 126.132 1.773 . . . . 0.0 106.319 172.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -130.63 142.68 50.45 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 106.252 -1.759 . . . . 0.0 106.252 -176.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 48.5 m -130.83 142.99 50.42 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 121.228 -0.92 . . . . 0.0 110.082 -172.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 12.8 pt . . . . . 0 C--N 1.364 1.212 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 177.798 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.8 mt . . . . . 0 C--O 1.225 -0.22 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.408 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . . . -63.06 -34.14 76.94 Favored 'General case' 0 C--N 1.375 1.689 0 C-N-CA 126.999 2.12 . . . . 0.0 113.515 174.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.471 ' O ' HD12 ' A' ' 10' ' ' LEU 0.297 52.8 p -57.49 -46.38 83.78 Favored 'General case' 0 C--N 1.373 1.62 0 C-N-CA 128.125 2.57 . . . . 0.0 113.148 175.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.483 9.2 ptm180 -72.41 -35.56 68.42 Favored 'General case' 0 C--N 1.356 0.879 1 C-N-CA 132.214 4.206 . . . . 0.0 115.477 166.151 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' A' ' 6' ' ' ALA . . . -51.56 -23.15 3.83 Favored 'General case' 0 CA--C 1.567 1.63 0 O-C-N 117.012 -3.555 . . . . 0.0 114.13 171.483 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.483 HD13 ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -55.86 -29.58 60.14 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 118.481 2.771 . . . . 0.0 118.481 158.577 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.483 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -70.16 -43.7 70.31 Favored 'General case' 0 C--N 1.378 1.845 0 C-N-CA 131.308 3.843 . . . . 0.0 110.182 168.658 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.383 0.0 OUTLIER -67.21 -30.04 69.86 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.054 -1.654 . . . . 0.0 113.701 168.915 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.67 -36.03 73.14 Favored 'General case' 0 C--N 1.362 1.143 0 C-N-CA 125.961 1.704 . . . . 0.0 113.077 170.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.334 0.7 OUTLIER -70.07 -36.65 75.1 Favored 'General case' 0 C--N 1.375 1.696 0 O-C-N 120.632 -1.292 . . . . 0.0 110.727 171.867 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.94 -31.28 53.03 Favored 'Isoleucine or valine' 0 C--N 1.371 1.506 0 O-C-N 120.088 -1.633 . . . . 0.0 113.797 172.288 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -70.94 -34.12 71.17 Favored 'General case' 0 C--N 1.367 1.36 0 C-N-CA 125.067 1.347 . . . . 0.0 113.127 171.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.521 ' HB2' ' HB3' ' A' ' 93' ' ' LYS 0.394 8.1 p30 -65.76 -36.94 84.97 Favored 'General case' 0 C--N 1.37 1.487 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 169.6 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.479 ' HB3' HG21 ' A' ' 31' ' ' VAL . 20.6 mt -61.34 -42.15 98.22 Favored 'General case' 0 C--N 1.369 1.451 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 169.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.87 -15.91 57.74 Favored 'General case' 0 C--N 1.368 1.373 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 170.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.6 m -84.32 -24.95 29.59 Favored 'General case' 0 C--N 1.375 1.714 0 C-N-CA 125.28 1.432 . . . . 0.0 112.703 177.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -80.4 99.13 7.81 Favored 'General case' 0 C--N 1.361 1.09 0 O-C-N 120.603 -1.311 . . . . 0.0 111.199 177.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.357 6.2 pt20 -46.22 -40.83 19.52 Favored Pre-proline 0 C--N 1.366 1.301 0 N-CA-C 120.391 3.478 . . . . 0.0 120.391 -177.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -65.88 -22.56 55.99 Favored 'Trans proline' 0 C--N 1.362 1.262 0 C-N-CA 124.734 3.623 . . . . 0.0 115.752 167.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.5 -25.57 62.31 Favored 'General case' 0 C--N 1.377 1.769 0 CA-C-N 121.778 2.081 . . . . 0.0 114.222 -176.031 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 84.2 mmm -76.56 -26.92 55.62 Favored 'General case' 0 C--N 1.349 0.573 1 C-N-CA 131.921 4.088 . . . . 0.0 113.051 173.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -86.87 -39.77 15.51 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 127.036 2.134 . . . . 0.0 111.669 174.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.3 mmt -79.71 -32.83 41.29 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 127.223 2.209 . . . . 0.0 114.375 178.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.491 HG13 ' HA ' ' A' ' 43' ' ' TYR . 3.2 t -126.77 144.22 37.66 Favored 'Isoleucine or valine' 0 C--N 1.365 1.241 0 N-CA-C 101.827 -3.398 . . . . 0.0 101.827 173.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -102.92 -8.61 20.55 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 118.582 -2.574 . . . . 0.0 112.367 178.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.402 0.4 OUTLIER -136.69 39.99 2.59 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 110.213 -3.176 . . . . 0.0 113.833 -153.464 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.479 HG21 ' HB3' ' A' ' 18' ' ' LEU . 7.8 p -89.07 109.37 20.15 Favored 'Isoleucine or valine' 0 C--N 1.37 1.476 0 O-C-N 119.87 -1.769 . . . . 0.0 107.376 176.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.6 t -145.95 169.01 19.48 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 124.281 1.991 . . . . 0.0 116.033 -167.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -131.03 73.19 1.53 Allowed 'General case' 0 C--N 1.355 0.807 0 C-N-CA 128.335 2.654 . . . . 0.0 104.821 176.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 96.8 p -167.14 -170.16 0.22 Allowed Pre-proline 0 C--N 1.351 0.647 0 N-CA-C 104.37 -2.455 . . . . 0.0 104.37 -172.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -71.28 157.97 55.71 Favored 'Trans proline' 0 CA--C 1.554 1.504 0 C-N-CA 123.511 2.807 . . . . 0.0 110.009 158.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 173.03 -47.09 0.16 Allowed Glycine 0 C--N 1.359 1.822 0 C-N-CA 119.395 -1.383 . . . . 0.0 110.495 -173.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.364 0.0 OUTLIER -48.28 -0.03 0.01 OUTLIER 'General case' 0 C--N 1.36 1.025 2 C-N-CA 132.856 4.463 . . . . 0.0 122.09 -173.254 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -106.61 11.22 30.71 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 128.596 2.758 . . . . 0.0 110.768 173.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -87.68 165.49 29.83 Favored Pre-proline 0 C--N 1.363 1.194 0 O-C-N 119.962 -1.711 . . . . 0.0 111.88 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.19 135.62 17.15 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 124.628 3.552 . . . . 0.0 112.521 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.43 ' CD1' ' HB2' ' A' ' 71' ' ' TRP . 33.7 m-85 -69.36 156.88 90.78 Favored Pre-proline 0 C--N 1.362 1.135 0 C-N-CA 130.866 3.667 . . . . 0.0 117.136 -173.225 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -83.78 147.95 57.02 Favored 'Cis proline' 0 C--N 1.361 1.21 0 CA-C-N 123.172 2.169 . . . . 0.0 114.205 0.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.491 ' HA ' HG13 ' A' ' 28' ' ' VAL 0.48 15.7 p90 -179.54 169.36 1.39 Allowed 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 125.63 1.572 . . . . 0.0 114.08 -178.284 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.4 t -138.46 145.47 28.17 Favored 'Isoleucine or valine' 0 C--N 1.411 3.276 0 N-CA-C 116.893 2.183 . . . . 0.0 116.893 -175.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.5 m -125.25 163.77 25.5 Favored 'Isoleucine or valine' 0 C--N 1.376 1.744 0 O-C-N 119.85 -1.781 . . . . 0.0 112.166 166.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.7 mm -87.97 140.44 15.8 Favored 'Isoleucine or valine' 0 C--N 1.377 1.771 0 C-N-CA 126.627 1.971 . . . . 0.0 105.977 166.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.78 -168.0 22.06 Favored Glycine 0 CA--C 1.49 -1.477 0 N-CA-C 108.419 -1.873 . . . . 0.0 108.419 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -146.33 132.19 19.09 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 . . . . . 0 C--N 1.361 1.101 0 C-N-CA 125.724 1.609 . . . . 0.0 109.324 178.797 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.537 0.457 0 CA-C-O 122.161 0.981 . . . . 0.0 111.317 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 mp -106.24 121.83 59.22 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 C-N-CA 129.954 3.302 . . . . 0.0 104.278 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.6 p -101.94 116.72 33.32 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 119.685 -1.885 . . . . 0.0 111.181 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.6 mmt -153.89 152.5 30.7 Favored 'General case' 0 C--N 1.364 1.237 0 CA-C-O 122.215 1.007 . . . . 0.0 111.919 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.12 163.64 23.37 Favored 'General case' 0 C--N 1.369 1.433 0 CA-C-O 124.166 1.936 . . . . 0.0 112.259 -172.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.282 0.0 OUTLIER -137.57 139.45 40.43 Favored 'General case' 0 C--O 1.244 0.778 0 N-CA-C 103.347 -2.835 . . . . 0.0 103.347 172.368 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -121.89 122.3 39.09 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 127.024 2.13 . . . . 0.0 108.245 -173.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.0 p -126.59 131.73 70.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 C-N-CA 124.727 1.211 . . . . 0.0 109.997 -173.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.43 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -135.12 129.5 33.99 Favored 'General case' 0 C--N 1.372 1.556 0 CA-C-O 121.493 0.663 . . . . 0.0 111.594 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -123.69 151.78 17.07 Favored Glycine 0 C--N 1.366 2.242 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 175.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 175.07 112.82 0.31 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 104.83 -3.308 . . . . 0.0 104.83 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.4 m 174.26 -61.78 0.01 OUTLIER 'General case' 0 C--N 1.354 0.78 0 N-CA-C 101.826 -3.398 . . . . 0.0 101.826 -175.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.1 p -130.81 152.32 50.28 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 101.007 -3.701 . . . . 0.0 101.007 171.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . 0.266 13.3 ptm180 -66.34 -34.63 78.4 Favored 'General case' 0 C--N 1.362 1.139 0 CA-C-N 120.343 1.429 . . . . 0.0 114.674 177.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.91 -36.11 83.33 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 130.288 3.435 . . . . 0.0 114.71 176.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -57.04 -32.76 66.53 Favored 'General case' 0 C--N 1.379 1.89 0 C-N-CA 125.564 1.545 . . . . 0.0 114.819 174.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.96 -38.27 82.59 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 129.001 2.92 . . . . 0.0 114.21 173.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -76.81 -36.45 56.92 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 125.57 1.548 . . . . 0.0 111.226 174.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -61.81 -49.88 74.54 Favored 'General case' 0 C--N 1.373 1.594 0 C-N-CA 126.207 1.803 . . . . 0.0 112.357 172.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.303 17.1 pt -62.75 -37.35 78.86 Favored 'Isoleucine or valine' 0 C--N 1.371 1.533 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 174.043 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -68.03 -49.85 58.95 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 127.361 2.264 . . . . 0.0 112.549 173.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.1 t -58.36 -43.89 88.6 Favored 'General case' 0 C--N 1.371 1.507 0 C-N-CA 128.297 2.639 . . . . 0.0 113.241 171.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 -66.8 -36.95 83.57 Favored 'General case' 0 C--N 1.372 1.554 0 C-N-CA 126.353 1.861 . . . . 0.0 114.339 171.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.349 0.3 OUTLIER -66.92 -49.35 74.81 Favored 'Isoleucine or valine' 0 C--N 1.382 1.981 0 CA-C-N 121.013 1.733 . . . . 0.0 112.592 176.38 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.3 mp -63.14 -40.07 96.52 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 119.462 -2.024 . . . . 0.0 113.447 176.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.453 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 33.0 tt0 -63.13 -38.07 89.7 Favored 'General case' 0 C--N 1.372 1.547 0 C-N-CA 125.976 1.71 . . . . 0.0 113.368 172.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.95 -43.45 65.21 Favored 'General case' 0 C--N 1.377 1.764 0 C-N-CA 126.744 2.018 . . . . 0.0 114.024 174.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.454 ' CD1' HD21 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -49.23 -50.27 39.3 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 130.635 3.574 . . . . 0.0 113.641 176.034 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.559 0.2 OUTLIER -102.3 10.24 39.33 Favored 'General case' 0 C--N 1.371 1.508 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 169.353 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.453 ' HB3' ' O ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -75.82 -43.38 46.3 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 118.802 -2.436 . . . . 0.0 109.762 175.577 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 17' ' ' ASN 0.277 0.1 OUTLIER -125.54 94.2 43.17 Favored Pre-proline 0 C--N 1.35 0.593 0 N-CA-C 104.368 -2.456 . . . . 0.0 104.368 179.243 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -63.63 149.02 91.93 Favored 'Trans proline' 0 C--N 1.378 2.117 0 C-N-CA 125.078 3.852 . . . . 0.0 116.809 -168.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.76 107.64 3.1 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 127.396 2.278 . . . . 0.0 116.542 -173.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 44.6 ttm -144.04 143.22 31.08 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 125.856 1.662 . . . . 0.0 107.405 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -135.68 108.41 7.51 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 67.98 26.47 7.38 Favored 'General case' 0 C--N 1.362 1.114 0 C-N-CA 130.013 3.325 . . . . 0.0 114.962 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.4 -6.36 61.2 Favored Glycine 0 C--N 1.355 1.588 0 C-N-CA 125.818 1.675 . . . . 0.0 112.737 -173.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -94.56 128.3 41.09 Favored 'General case' 0 C--N 1.36 1.052 0 CA-C-N 118.882 1.341 . . . . 0.0 111.323 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.0 m -107.32 134.65 50.07 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 125.671 1.589 . . . . 0.0 112.839 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -140.72 121.7 14.59 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 102.186 -3.265 . . . . 0.0 102.186 -179.562 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.7 t -106.17 142.43 19.16 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 C-N-CA 124.999 1.32 . . . . 0.0 108.334 -169.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.84 131.26 35.37 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -173.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 66.1 tttp . . . . . 0 C--N 1.358 0.977 0 C-N-CA 126.425 1.89 . . . . 0.0 106.968 177.697 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 . . . . . 0 N--CA 1.44 -0.929 0 N-CA-C 104.024 -2.584 . . . . 0.0 104.024 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.68 139.88 11.32 Favored Glycine 0 C--N 1.353 1.505 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -120.75 116.73 50.86 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 N-CA-C 102.643 -3.095 . . . . 0.0 102.643 172.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.2 mt -113.31 122.4 67.36 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 -178.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -117.8 126.53 52.6 Favored 'General case' 0 C--N 1.364 1.224 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 178.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.42 145.39 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 CA-C-O 122.825 1.298 . . . . 0.0 109.287 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -110.79 114.98 28.75 Favored 'General case' 0 C--N 1.364 1.204 0 N-CA-C 103.692 -2.707 . . . . 0.0 103.692 168.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -100.98 140.48 35.22 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.396 -1.44 . . . . 0.0 107.131 -176.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 21.2 m -113.09 136.17 53.0 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.817 1.247 . . . . 0.0 111.205 -171.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.2 pt . . . . . 0 C--N 1.363 1.176 0 CA-C-O 122.369 1.08 . . . . 0.0 111.367 176.773 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 C--O 1.22 -0.451 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.54 -34.82 77.86 Favored 'General case' 0 C--N 1.371 1.506 0 CA-C-N 120.724 1.602 . . . . 0.0 114.313 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 23.5 m -56.87 -46.78 81.61 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 127.532 2.333 . . . . 0.0 113.36 171.016 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.468 0.0 OUTLIER -74.24 -38.28 63.54 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 131.422 3.889 . . . . 0.0 116.155 170.568 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.414 ' HA ' ' HG3' ' A' ' 12' ' ' LYS . . . -56.02 -23.75 34.93 Favored 'General case' 0 C--N 1.366 1.315 0 O-C-N 117.326 -3.359 . . . . 0.0 113.62 173.107 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.801 HD23 HG21 ' A' ' 64' ' ' ILE 0.272 1.6 tp -55.31 -40.37 71.05 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 127.398 2.279 . . . . 0.0 115.414 161.243 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -70.02 -39.17 75.98 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 126.489 1.916 . . . . 0.0 111.688 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.414 ' HG3' ' HA ' ' A' ' 9' ' ' ALA 0.327 0.0 OUTLIER -68.01 -30.13 69.3 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 165.796 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.88 72.57 Favored 'General case' 0 C--N 1.364 1.2 0 O-C-N 119.775 -1.828 . . . . 0.0 112.799 172.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.422 ' HG1' HD12 ' A' ' 10' ' ' LEU . 10.0 m -69.93 -35.09 74.26 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 127.203 2.201 . . . . 0.0 111.19 175.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.42 -31.79 54.4 Favored 'Isoleucine or valine' 0 C--N 1.374 1.637 0 O-C-N 120.466 -1.396 . . . . 0.0 112.27 168.571 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -70.69 -29.78 66.18 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 124.74 1.216 . . . . 0.0 112.999 170.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.465 ' OD1' ' HG2' ' A' ' 93' ' ' LYS . 11.0 m-20 -65.45 -38.86 91.1 Favored 'General case' 0 C--N 1.372 1.544 0 O-C-N 118.921 -2.362 . . . . 0.0 111.67 169.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 mp -62.3 -35.86 80.34 Favored 'General case' 0 C--N 1.377 1.793 0 C-N-CA 127.131 2.173 . . . . 0.0 112.595 169.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -31.48 65.49 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 126.109 1.763 . . . . 0.0 113.455 170.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.1 t -76.08 -35.42 59.38 Favored 'General case' 0 C--N 1.374 1.656 0 C-N-CA 125.171 1.388 . . . . 0.0 114.202 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -75.45 95.27 3.24 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 123.022 1.392 . . . . 0.0 113.14 -177.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.354 1.2 pt20 -40.38 -45.59 5.26 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 130.47 3.508 . . . . 0.0 118.845 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.54 -19.82 65.3 Favored 'Trans proline' 0 CA--C 1.55 1.305 0 C-N-CA 125.16 3.907 . . . . 0.0 116.298 166.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.94 -32.5 59.59 Favored 'General case' 0 C--N 1.374 1.633 0 CA-C-N 122.029 2.195 . . . . 0.0 112.361 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.9 mmm -66.18 -28.21 68.59 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 129.574 3.15 . . . . 0.0 114.834 176.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -80.28 -18.33 49.64 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 126.924 2.089 . . . . 0.0 112.805 175.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 51.0 mtt -102.36 -45.69 5.02 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.731 2.012 . . . . 0.0 115.607 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' A' ' 43' ' ' TYR . 1.4 p -122.32 143.69 34.19 Favored 'Isoleucine or valine' 0 C--N 1.364 1.217 0 O-C-N 119.116 -2.24 . . . . 0.0 106.415 177.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -102.92 -26.31 13.15 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 125.679 2.657 . . . . 0.0 111.095 172.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.493 3.3 mp0 -97.34 40.71 1.14 Allowed 'General case' 0 N--CA 1.428 -1.572 1 C-N-CA 137.513 6.325 . . . . 0.0 114.138 -166.233 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.27 108.58 18.83 Favored 'Isoleucine or valine' 0 C--N 1.375 1.714 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 173.319 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.3 t -132.23 158.45 41.75 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.336 1.455 . . . . 0.0 113.577 -173.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -99.57 -9.92 22.67 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 126.133 1.773 . . . . 0.0 113.412 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.292 14.8 m -166.43 -79.89 0.0 OUTLIER Pre-proline 0 C--N 1.356 0.855 0 CA-C-O 114.765 -2.54 . . . . 0.0 110.011 178.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -72.82 138.32 28.6 Favored 'Trans proline' 0 C--N 1.366 1.472 0 C-N-CA 124.477 3.451 . . . . 0.0 112.599 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.1 28.57 2.82 Favored Glycine 0 C--N 1.363 2.068 0 O-C-N 120.311 -1.493 . . . . 0.0 111.22 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.46 ' HA ' HG11 ' A' ' 45' ' ' VAL 0.326 0.0 OUTLIER -86.91 -26.07 24.1 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 127.442 2.297 . . . . 0.0 114.358 171.955 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 52.2 p30 -95.05 15.29 19.29 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 127.521 2.329 . . . . 0.0 116.094 -175.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -85.36 169.02 17.27 Favored Pre-proline 0 C--N 1.359 1.008 0 C-N-CA 124.138 0.975 . . . . 0.0 112.642 176.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -75.32 146.46 31.56 Favored 'Trans proline' 0 CA--C 1.551 1.346 0 C-N-CA 124.122 3.215 . . . . 0.0 113.866 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.427 ' CE1' ' HB2' ' A' ' 71' ' ' TRP . 76.7 m-85 -65.11 145.35 99.11 Favored Pre-proline 0 C--N 1.369 1.43 0 C-N-CA 130.315 3.446 . . . . 0.0 114.669 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -87.62 149.64 34.71 Favored 'Cis proline' 0 C--N 1.354 0.858 0 CA-C-N 123.074 2.134 . . . . 0.0 113.453 4.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.493 ' HA ' HG23 ' A' ' 28' ' ' VAL . 34.1 p90 -172.03 168.63 5.83 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 124.144 0.978 . . . . 0.0 113.435 -178.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.9 t -133.89 124.15 46.38 Favored 'Isoleucine or valine' 0 C--N 1.398 2.705 0 CA-C-O 123.364 1.554 . . . . 0.0 114.02 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.46 HG11 ' HA ' ' A' ' 37' ' ' LYS . 17.7 m -112.76 145.98 18.06 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 O-C-N 120.43 -1.419 . . . . 0.0 110.717 175.035 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.2 mm -79.86 140.13 17.22 Favored 'Isoleucine or valine' 0 C--N 1.375 1.715 0 C-N-CA 126.02 1.728 . . . . 0.0 107.353 169.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -166.02 -178.83 39.15 Favored Glycine 0 CA--C 1.485 -1.803 0 N-CA-C 108.649 -1.78 . . . . 0.0 108.649 -176.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -145.05 120.68 10.45 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -176.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 . . . . . 0 C--N 1.365 1.278 0 C-N-CA 127.064 2.146 . . . . 0.0 107.839 178.715 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.8 m120 . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 102.532 -3.136 . . . . 0.0 102.532 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.801 HG21 HD23 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -115.86 122.12 68.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 N-CA-C 101.111 -3.663 . . . . 0.0 101.111 176.278 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.5 p -129.06 117.0 20.16 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 177.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 28.5 tpp -154.03 156.37 37.24 Favored 'General case' 0 C--N 1.369 1.445 0 CA-C-O 122.513 1.149 . . . . 0.0 112.72 -175.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.94 163.86 28.59 Favored 'General case' 0 C--N 1.364 1.22 0 CA-C-O 125.265 2.46 . . . . 0.0 112.987 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.447 ' CZ ' HD11 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -130.26 139.42 50.76 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 101.492 -3.521 . . . . 0.0 101.492 173.415 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -112.59 118.43 35.07 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 101.404 -3.554 . . . . 0.0 101.404 -176.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.431 HG21 HG11 ' A' ' 86' ' ' VAL . 67.4 t -123.11 111.79 31.1 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.519 0 N-CA-C 103.731 -2.692 . . . . 0.0 103.731 -165.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.427 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -129.75 138.8 51.28 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 116.463 -2.095 . . . . 0.0 110.801 -174.86 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.1 150.73 17.27 Favored Glycine 0 C--N 1.359 1.841 0 N-CA-C 106.481 -2.648 . . . . 0.0 106.481 171.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -134.21 31.88 2.73 Favored Glycine 0 C--N 1.351 1.373 0 N-CA-C 107.306 -2.317 . . . . 0.0 107.306 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.1 m -106.05 -53.68 2.6 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 126.72 2.008 . . . . 0.0 113.048 -169.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.3 m -164.11 154.16 14.7 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 105.225 -2.139 . . . . 0.0 105.225 -176.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -52.46 -46.2 66.38 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 130.866 3.666 . . . . 0.0 115.799 175.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.47 -36.28 65.81 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 129.726 3.21 . . . . 0.0 113.903 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -68.04 -36.33 79.72 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 127.068 2.147 . . . . 0.0 113.027 177.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.53 -36.38 78.77 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 128.456 2.702 . . . . 0.0 114.406 174.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -77.72 -32.64 53.0 Favored 'General case' 0 C--N 1.366 1.311 0 O-C-N 120.549 -1.344 . . . . 0.0 112.363 171.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -62.5 -45.17 94.24 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 127.839 2.456 . . . . 0.0 112.328 172.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.476 ' HA ' ' HG3' ' A' ' 85' ' ' ARG 0.285 19.5 pt -65.36 -39.66 86.0 Favored 'Isoleucine or valine' 0 C--N 1.38 1.917 0 CA-C-N 119.78 1.173 . . . . 0.0 113.689 172.293 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.0 t -62.49 -49.62 74.67 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 127.127 2.171 . . . . 0.0 112.945 174.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 t -65.85 -42.14 90.84 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 128.961 2.904 . . . . 0.0 113.912 173.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.476 ' HG3' ' HA ' ' A' ' 82' ' ' ILE 0.467 0.0 OUTLIER -70.76 -29.39 65.61 Favored 'General case' 0 C--N 1.379 1.888 0 C-N-CA 125.69 1.596 . . . . 0.0 115.215 174.318 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.431 HG11 HG21 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -69.25 -49.18 63.5 Favored 'Isoleucine or valine' 0 C--N 1.384 2.089 0 C-N-CA 125.503 1.521 . . . . 0.0 110.676 170.27 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.251 0.3 OUTLIER -58.6 -40.29 82.84 Favored 'General case' 0 C--N 1.372 1.584 0 C-N-CA 128.302 2.641 . . . . 0.0 112.76 174.549 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.7 -46.1 87.03 Favored 'General case' 0 C--N 1.376 1.719 0 C-N-CA 126.108 1.763 . . . . 0.0 113.463 170.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.426 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -61.63 -42.05 98.35 Favored 'General case' 0 C--N 1.379 1.872 0 C-N-CA 126.873 2.069 . . . . 0.0 114.684 171.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.447 HD11 ' CZ ' ' A' ' 68' ' ' PHE . 1.6 mp -50.51 -49.25 56.1 Favored 'General case' 0 C--N 1.379 1.869 0 C-N-CA 129.024 2.93 . . . . 0.0 113.928 175.203 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.781 0.2 OUTLIER -106.11 11.61 31.19 Favored 'General case' 0 C--N 1.376 1.72 0 N-CA-C 117.514 2.413 . . . . 0.0 117.514 169.853 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.426 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -74.62 -41.77 59.8 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 119.214 -2.179 . . . . 0.0 107.348 172.817 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.465 ' HG2' ' OD1' ' A' ' 17' ' ' ASN 0.251 9.6 tptp -104.26 134.26 19.78 Favored Pre-proline 0 N--CA 1.431 -1.417 0 N-CA-C 103.182 -2.896 . . . . 0.0 103.182 175.274 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -78.95 152.49 24.81 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 123.688 2.925 . . . . 0.0 110.676 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.37 107.26 13.03 Favored 'General case' 0 C--N 1.36 1.048 0 CA-C-O 125.193 2.425 . . . . 0.0 113.462 -177.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 15.1 ttt -145.34 151.06 37.7 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 111.7 -2.5 . . . . 0.0 108.007 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.409 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 62.0 t80 -134.87 107.04 7.15 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 104.798 -2.297 . . . . 0.0 104.798 167.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 66.18 -76.0 0.05 OUTLIER 'General case' 0 C--N 1.35 0.607 1 C-N-CA 133.672 4.789 . . . . 0.0 116.673 170.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.24 19.75 2.47 Favored Glycine 0 CA--C 1.496 -1.118 0 N-CA-C 106.977 -2.449 . . . . 0.0 106.977 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -121.45 124.82 45.4 Favored 'General case' 0 C--N 1.366 1.31 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.3 m -121.67 138.02 54.51 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 125.487 1.515 . . . . 0.0 107.779 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.652 ' CE1' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -134.35 147.74 50.6 Favored 'General case' 0 C--N 1.345 0.38 0 C-N-CA 128.711 2.804 . . . . 0.0 105.447 -178.552 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.6 t -106.49 132.01 54.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 C-N-CA 127.285 2.234 . . . . 0.0 107.881 -175.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.88 138.8 34.98 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 126.387 1.875 . . . . 0.0 113.846 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.4 tttp . . . . . 0 C--N 1.357 0.918 0 C-N-CA 126.82 2.048 . . . . 0.0 114.467 -177.763 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.449 -0.514 0 N-CA-C 100.5 -3.889 . . . . 0.0 100.5 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -123.36 129.29 7.31 Favored Glycine 0 CA--C 1.484 -1.886 0 N-CA-C 107.851 -2.099 . . . . 0.0 107.851 -169.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -105.04 114.91 45.83 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 N-CA-C 103.101 -2.925 . . . . 0.0 103.101 176.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.3 mm -104.99 113.46 42.1 Favored 'Isoleucine or valine' 0 C--N 1.358 0.942 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 -172.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -124.17 136.52 54.25 Favored 'General case' 0 CA--C 1.492 -1.27 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -177.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 40.0 t -131.01 144.33 38.17 Favored 'Isoleucine or valine' 0 C--O 1.247 0.924 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 177.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -117.71 129.35 55.66 Favored 'General case' 0 C--N 1.362 1.123 0 N-CA-C 104.709 -2.33 . . . . 0.0 104.709 174.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -126.32 145.27 50.5 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 104.179 -2.526 . . . . 0.0 104.179 -173.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 46.0 m -135.69 142.17 45.06 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 119.908 -1.745 . . . . 0.0 109.705 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.4 HG23 ' HB3' ' A' ' 102' ' ' PHE . 4.9 pt . . . . . 0 C--N 1.363 1.193 0 C-N-CA 129.643 3.177 . . . . 0.0 102.938 175.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.467 0.408 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.53 -33.62 70.07 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 127.274 2.229 . . . . 0.0 114.244 173.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.565 ' HB3' HD12 ' A' ' 64' ' ' ILE . 6.9 m -57.04 -47.95 79.69 Favored 'General case' 0 C--N 1.367 1.355 0 C-N-CA 127.895 2.478 . . . . 0.0 113.579 176.321 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.492 78.3 ttt-85 -72.58 -35.7 67.98 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 131.228 3.811 . . . . 0.0 114.353 170.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.17 -22.91 4.74 Favored 'General case' 0 CA--C 1.566 1.575 0 O-C-N 118.488 -2.633 . . . . 0.0 114.241 167.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.587 HD13 ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -56.13 -33.58 65.29 Favored 'General case' 0 C--N 1.373 1.629 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 160.786 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.587 ' N ' HD13 ' A' ' 10' ' ' LEU . 7.9 tp60 -70.48 -37.88 74.3 Favored 'General case' 0 C--N 1.374 1.643 0 C-N-CA 128.708 2.803 . . . . 0.0 110.282 172.257 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -64.83 -32.5 74.22 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.777 -1.202 . . . . 0.0 114.232 167.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.19 -33.09 67.39 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 127.019 2.127 . . . . 0.0 112.143 171.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.8 m -69.96 -44.64 69.09 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 127.927 2.491 . . . . 0.0 111.197 172.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.18 -30.71 50.38 Favored 'Isoleucine or valine' 0 C--N 1.366 1.303 0 C-N-CA 126.837 2.055 . . . . 0.0 112.802 170.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -70.44 -36.18 73.8 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 124.294 1.038 . . . . 0.0 112.172 170.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . 0.423 12.9 p30 -62.48 -36.52 82.74 Favored 'General case' 0 C--N 1.365 1.272 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 168.22 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 mt -61.62 -40.64 95.59 Favored 'General case' 0 C--N 1.37 1.474 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 167.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -26.44 59.59 Favored 'General case' 0 C--N 1.37 1.461 0 C-N-CA 125.512 1.525 . . . . 0.0 113.768 173.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -86.79 -22.13 26.07 Favored 'General case' 0 C--N 1.371 1.501 0 C-N-CA 127.007 2.123 . . . . 0.0 113.571 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -81.11 98.45 8.02 Favored 'General case' 0 C--N 1.357 0.912 0 C-N-CA 124.866 1.266 . . . . 0.0 111.868 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.403 6.2 pt20 -40.58 -48.49 6.96 Favored Pre-proline 0 C--N 1.368 1.388 0 N-CA-C 121.036 3.717 . . . . 0.0 121.036 -174.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -65.9 -20.47 58.04 Favored 'Trans proline' 0 CA--C 1.552 1.378 0 CA-C-N 127.139 3.585 . . . . 0.0 115.694 168.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 tt -76.18 -26.05 55.82 Favored 'General case' 0 C--N 1.375 1.698 0 CA-C-N 122.357 2.344 . . . . 0.0 113.173 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 67.3 mtp -65.65 -27.99 68.77 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 128.091 2.557 . . . . 0.0 113.272 175.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -82.49 -9.97 59.21 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 126.969 2.107 . . . . 0.0 112.251 172.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.9 mmt -102.33 -31.05 10.7 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 127.908 2.483 . . . . 0.0 111.868 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.438 HG21 ' HB ' ' A' ' 31' ' ' VAL . 6.1 m -122.86 144.39 32.48 Favored 'Isoleucine or valine' 0 C--N 1.364 1.227 0 O-C-N 119.713 -1.867 . . . . 0.0 110.431 178.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.39 -8.64 19.04 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 120.103 -1.623 . . . . 0.0 110.314 164.381 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.417 6.4 mm-40 -136.77 38.57 2.61 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 130.271 3.428 . . . . 0.0 116.419 -157.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.438 ' HB ' HG21 ' A' ' 28' ' ' VAL . 5.4 p -86.55 109.46 18.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 O-C-N 118.6 -2.563 . . . . 0.0 107.722 176.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.1 t -140.25 144.6 36.57 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 123.913 1.816 . . . . 0.0 113.549 -170.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -90.96 -29.9 17.15 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 126.433 1.893 . . . . 0.0 112.163 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.3 m -106.12 151.65 40.19 Favored Pre-proline 0 C--N 1.354 0.803 0 C-N-CA 127.085 2.154 . . . . 0.0 106.227 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -63.91 136.25 51.99 Favored 'Trans proline' 0 C--N 1.359 1.116 0 CA-C-N 124.061 2.486 . . . . 0.0 117.958 -164.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.57 27.27 0.6 Allowed Glycine 0 CA--C 1.496 -1.12 0 N-CA-C 104.268 -3.533 . . . . 0.0 104.268 176.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.348 0.0 OUTLIER -84.52 -10.73 57.18 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 127.721 2.409 . . . . 0.0 114.456 -167.327 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -92.41 1.39 57.27 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 129.395 3.078 . . . . 0.0 110.573 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -95.56 157.89 35.39 Favored Pre-proline 0 C--N 1.362 1.11 0 C-N-CA 126.008 1.723 . . . . 0.0 109.152 174.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -75.68 163.09 34.45 Favored 'Trans proline' 0 CA--C 1.546 1.116 0 C-N-CA 124.819 3.68 . . . . 0.0 114.734 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.441 ' CE2' ' HB3' ' A' ' 71' ' ' TRP . 4.7 m-30 -73.32 163.71 66.44 Favored Pre-proline 0 CA--C 1.56 1.352 0 C-N-CA 128.929 2.891 . . . . 0.0 114.247 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -80.96 147.57 73.78 Favored 'Cis proline' 0 C--N 1.361 1.209 0 CA-C-N 121.94 1.729 . . . . 0.0 111.362 -1.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.415 ' CE1' ' CZ3' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -173.98 167.52 4.27 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-O 121.793 0.806 . . . . 0.0 112.305 -172.004 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.4 t -137.49 125.95 33.2 Favored 'Isoleucine or valine' 0 C--N 1.371 1.514 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.288 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.567 HG22 ' CH2' ' A' ' 71' ' ' TRP . 5.2 m -117.03 152.1 18.83 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 121.039 -1.038 . . . . 0.0 110.794 174.144 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.2 mp -74.41 140.64 17.24 Favored 'Isoleucine or valine' 0 C--N 1.371 1.527 0 C-N-CA 126.449 1.9 . . . . 0.0 111.793 171.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.72 -177.91 36.92 Favored Glycine 0 CA--C 1.474 -2.475 0 C-N-CA 118.446 -1.835 . . . . 0.0 109.14 176.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -145.81 121.02 10.18 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 102.817 -3.031 . . . . 0.0 102.817 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.366 1.306 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -174.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.9 p30 . . . . . 0 N--CA 1.449 -0.484 0 CA-C-O 123.625 1.679 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.565 HD12 ' HB3' ' A' ' 7' ' ' SER . 0.2 OUTLIER -124.14 135.52 63.37 Favored 'Isoleucine or valine' 0 C--N 1.361 1.081 0 N-CA-C 104.032 -2.581 . . . . 0.0 104.032 -177.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 91.1 m -130.01 120.63 25.06 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 66.6 mmm -147.0 151.34 36.8 Favored 'General case' 0 C--N 1.363 1.17 0 CA-C-N 121.186 1.812 . . . . 0.0 111.112 -176.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.85 163.64 17.22 Favored 'General case' 0 C--N 1.363 1.192 0 CA-C-O 124.576 2.131 . . . . 0.0 110.937 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.297 0.0 OUTLIER -142.51 140.22 31.75 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 102.65 -3.092 . . . . 0.0 102.65 173.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -112.49 118.1 34.21 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 101.654 -3.462 . . . . 0.0 101.654 -176.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.1 t -118.6 111.94 35.93 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.27 0 N-CA-C 105.265 -2.124 . . . . 0.0 105.265 -167.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.567 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -130.26 139.15 50.79 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 117.778 -1.569 . . . . 0.0 109.492 -176.4 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -140.51 171.04 24.18 Favored Glycine 0 CA--C 1.484 -1.849 0 N-CA-C 107.892 -2.083 . . . . 0.0 107.892 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -114.71 -150.41 10.0 Favored Glycine 0 C--N 1.355 1.613 0 C-N-CA 124.98 1.276 . . . . 0.0 111.192 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.26 31.1 m 73.2 -67.92 0.25 Allowed 'General case' 0 C--N 1.36 1.046 0 C-N-CA 128.317 2.647 . . . . 0.0 115.468 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.7 m -157.47 155.3 30.16 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 -176.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.33 -35.17 50.11 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 130.784 3.634 . . . . 0.0 114.878 177.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.28 -35.39 73.67 Favored 'General case' 0 C--N 1.362 1.121 0 C-N-CA 129.918 3.287 . . . . 0.0 115.215 173.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -69.99 -33.49 72.12 Favored 'General case' 0 C--N 1.371 1.508 0 C-N-CA 126.558 1.943 . . . . 0.0 113.913 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.457 ' HA ' HG12 ' A' ' 82' ' ' ILE . . . -61.89 -29.97 70.56 Favored 'General case' 0 C--N 1.366 1.294 0 C-N-CA 129.753 3.221 . . . . 0.0 114.652 175.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -77.12 -37.91 53.21 Favored 'General case' 0 C--N 1.363 1.196 0 C-N-CA 127.685 2.394 . . . . 0.0 111.138 174.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.17 -50.98 59.19 Favored 'General case' 0 C--N 1.37 1.497 0 C-N-CA 127.336 2.254 . . . . 0.0 111.953 173.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.457 HG12 ' HA ' ' A' ' 79' ' ' ALA 0.33 40.7 pt -61.6 -37.61 78.3 Favored 'Isoleucine or valine' 0 C--N 1.375 1.702 0 C-N-CA 125.045 1.338 . . . . 0.0 114.546 175.329 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . 0.25 15.6 p -68.13 -39.78 82.63 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 126.171 1.788 . . . . 0.0 112.734 173.348 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 t -67.76 -42.26 82.05 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 127.83 2.452 . . . . 0.0 112.831 173.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -63.79 -34.53 78.12 Favored 'General case' 0 C--N 1.374 1.631 0 C-N-CA 126.378 1.871 . . . . 0.0 112.627 172.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.252 4.7 t -64.05 -49.49 81.32 Favored 'Isoleucine or valine' 0 C--N 1.387 2.198 0 C-N-CA 125.199 1.399 . . . . 0.0 112.396 166.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.02 -48.19 74.78 Favored 'General case' 0 C--N 1.378 1.824 0 CA-C-N 123.324 2.784 . . . . 0.0 114.27 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 30.8 tt0 -59.65 -34.89 73.39 Favored 'General case' 0 C--N 1.374 1.643 0 C-N-CA 127.339 2.256 . . . . 0.0 112.517 174.274 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.57 -45.7 78.42 Favored 'General case' 0 C--N 1.38 1.893 0 C-N-CA 125.532 1.533 . . . . 0.0 114.017 167.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.259 33.9 mt -49.09 -45.57 43.44 Favored 'General case' 0 C--N 1.396 2.611 0 C-N-CA 127.681 2.392 . . . . 0.0 114.744 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.591 0.2 OUTLIER -103.19 10.27 37.86 Favored 'General case' 0 C--N 1.365 1.244 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 171.206 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.407 ' HB3' ' O ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -78.29 -45.64 22.22 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 119.304 -2.122 . . . . 0.0 109.12 175.896 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.02 101.74 47.16 Favored Pre-proline 0 C--N 1.356 0.867 0 N-CA-C 102.113 -3.292 . . . . 0.0 102.113 175.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.69 157.55 58.26 Favored 'Trans proline' 0 C--N 1.36 1.149 0 C-N-CA 124.028 3.152 . . . . 0.0 115.059 -170.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.6 mt -71.31 107.4 4.26 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 126.977 2.111 . . . . 0.0 115.717 -172.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 46.5 ttp -145.16 139.3 27.16 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 126.102 1.761 . . . . 0.0 108.435 176.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -134.77 108.17 7.82 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 178.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 71.53 22.32 4.17 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 130.036 3.334 . . . . 0.0 115.368 173.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 101.15 -5.75 56.01 Favored Glycine 0 C--N 1.353 1.495 0 C-N-CA 126.035 1.779 . . . . 0.0 112.013 -174.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -96.71 126.09 41.63 Favored 'General case' 0 C--N 1.361 1.072 0 CA-C-N 118.437 1.118 . . . . 0.0 109.364 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.2 p -93.44 153.03 18.72 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 127.354 2.261 . . . . 0.0 113.078 -175.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -136.29 139.2 42.48 Favored 'General case' 0 C--N 1.361 1.102 0 N-CA-C 105.928 -1.878 . . . . 0.0 105.928 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.3 t -107.09 115.88 49.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 C-N-CA 126.24 1.816 . . . . 0.0 108.762 -173.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.2 138.72 35.8 Favored 'General case' 0 C--N 1.367 1.347 0 N-CA-C 117.507 2.41 . . . . 0.0 117.507 -172.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.0 tttp . . . . . 0 N--CA 1.444 -0.759 0 C-N-CA 129.859 3.264 . . . . 0.0 107.131 177.432 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.441 -0.896 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -122.32 140.65 13.62 Favored Glycine 0 C--N 1.353 1.492 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 171.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.23 117.86 52.78 Favored 'Isoleucine or valine' 0 C--N 1.367 1.34 0 N-CA-C 103.568 -2.753 . . . . 0.0 103.568 172.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.3 mm -112.74 117.89 56.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 CA-C-N 114.507 -1.224 . . . . 0.0 108.106 -170.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -116.73 140.14 49.76 Favored 'General case' 0 C--N 1.37 1.485 0 CA-C-O 121.325 0.583 . . . . 0.0 109.907 175.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -136.0 157.56 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 169.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . 0.273 24.9 ttt180 -134.49 141.59 46.79 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 126.707 2.003 . . . . 0.0 110.209 174.322 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.455 ' CE2' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -133.38 144.38 49.53 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 104.643 -2.355 . . . . 0.0 104.643 -175.905 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 88.3 m -134.89 142.98 46.71 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 126.667 1.987 . . . . 0.0 106.465 -174.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 9.7 tp . . . . . 0 C--N 1.363 1.159 0 O-C-N 119.909 -1.744 . . . . 0.0 108.427 176.392 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.6 tp . . . . . 0 N--CA 1.469 0.492 0 N-CA-C 120.054 3.353 . . . . 0.0 120.054 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.26 -51.43 37.53 Favored 'General case' 0 C--N 1.367 1.341 0 CA-C-N 122.073 2.215 . . . . 0.0 113.146 174.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.401 ' HB3' HG13 ' A' ' 64' ' ' ILE . 8.5 m -58.5 -48.65 80.1 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 129.399 3.08 . . . . 0.0 117.469 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.523 9.2 tpt180 -73.9 -37.84 64.55 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.279 2.231 . . . . 0.0 114.146 172.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.296 . . -58.51 -22.68 55.97 Favored 'General case' 0 C--N 1.367 1.354 0 O-C-N 117.965 -2.959 . . . . 0.0 115.383 170.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.483 HD22 ' CG ' ' A' ' 102' ' ' PHE 0.319 0.4 OUTLIER -63.62 -28.71 70.1 Favored 'General case' 0 C--N 1.377 1.772 0 O-C-N 120.414 -1.429 . . . . 0.0 114.776 161.059 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.291 1.0 OUTLIER -67.95 -38.23 82.55 Favored 'General case' 0 C--N 1.383 2.038 0 O-C-N 118.619 -2.551 . . . . 0.0 109.858 174.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -66.01 -29.76 70.19 Favored 'General case' 0 C--N 1.368 1.397 0 CA-C-N 113.609 -1.632 . . . . 0.0 113.898 166.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.26 -42.73 79.2 Favored 'General case' 0 C--N 1.37 1.484 0 C-N-CA 125.562 1.545 . . . . 0.0 111.978 168.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.3 p -57.25 -41.79 80.31 Favored 'General case' 0 C--N 1.382 2.015 0 C-N-CA 126.124 1.77 . . . . 0.0 111.918 172.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -69.74 -33.8 57.96 Favored 'Isoleucine or valine' 0 C--N 1.369 1.428 0 CA-C-N 114.676 -1.147 . . . . 0.0 114.063 176.058 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -71.42 -29.93 65.48 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 170.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.444 ' OD1' ' HG2' ' A' ' 93' ' ' LYS . 8.6 m-20 -69.71 -39.14 77.05 Favored 'General case' 0 C--N 1.372 1.547 0 O-C-N 120.312 -1.492 . . . . 0.0 112.118 171.415 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.72 -46.28 88.86 Favored 'General case' 0 C--N 1.373 1.623 0 C-N-CA 126.78 2.032 . . . . 0.0 112.45 172.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.261 0.0 OUTLIER -69.13 -25.38 64.36 Favored 'General case' 0 C--N 1.363 1.167 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 172.66 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.548 ' HB2' ' HD3' ' A' ' 93' ' ' LYS . 14.1 m -84.68 -21.84 30.02 Favored 'General case' 0 C--N 1.385 2.111 0 CA-C-N 120.023 1.283 . . . . 0.0 114.214 177.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.513 ' CD2' ' HB2' ' A' ' 89' ' ' ALA . 43.4 t80 -75.8 98.08 4.06 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.425 ' HG3' ' HD3' ' A' ' 23' ' ' PRO 0.314 6.6 pt20 -42.36 -44.39 8.99 Favored Pre-proline 0 C--N 1.369 1.439 0 N-CA-C 118.567 2.803 . . . . 0.0 118.567 178.729 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.425 ' HD3' ' HG3' ' A' ' 22' ' ' GLN . 16.7 Cg_exo -65.4 -21.95 60.21 Favored 'Trans proline' 0 C--N 1.363 1.333 0 C-N-CA 124.703 3.602 . . . . 0.0 116.264 170.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.403 HD23 ' HB2' ' A' ' 89' ' ' ALA 0.405 3.4 pp -86.89 -18.28 31.22 Favored 'General case' 0 C--N 1.382 2.02 0 CA-C-N 124.342 3.247 . . . . 0.0 113.269 176.685 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 84.7 mmm -67.19 -28.61 68.24 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 127.237 2.215 . . . . 0.0 115.0 174.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -78.07 -25.64 47.77 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 127.158 2.183 . . . . 0.0 112.9 177.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 48.3 tpp -102.79 -40.15 6.69 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 125.21 1.404 . . . . 0.0 114.6 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.435 HG13 HH12 ' A' ' 85' ' ' ARG . 11.4 m -121.61 142.66 36.93 Favored 'Isoleucine or valine' 0 C--N 1.372 1.566 0 O-C-N 117.923 -2.986 . . . . 0.0 107.171 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -102.63 -36.61 8.28 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-O 125.722 2.677 . . . . 0.0 111.83 -178.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -98.24 37.06 1.49 Allowed 'General case' 0 N--CA 1.435 -1.207 1 C-N-CA 136.275 5.83 . . . . 0.0 111.159 -172.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 31' ' ' VAL . 1.1 p -87.93 106.52 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.159 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 172.616 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.9 t -146.45 168.73 20.46 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-O 123.082 1.42 . . . . 0.0 113.612 -165.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -98.78 -16.51 18.89 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 127.802 2.441 . . . . 0.0 113.137 178.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.6 m -174.4 -68.6 0.0 OUTLIER Pre-proline 0 C--N 1.36 1.046 0 CA-C-O 116.89 -1.529 . . . . 0.0 110.603 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -73.13 137.2 25.88 Favored 'Trans proline' 0 C--N 1.363 1.326 0 CA-C-N 126.84 3.479 . . . . 0.0 112.451 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.43 12.32 38.93 Favored Glycine 0 C--N 1.356 1.689 0 O-C-N 120.665 -1.272 . . . . 0.0 111.83 -174.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -23.38 29.85 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 128.011 2.524 . . . . 0.0 116.31 -176.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -105.89 15.43 26.63 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 127.647 2.379 . . . . 0.0 110.014 -177.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -89.84 164.9 26.91 Favored Pre-proline 0 C--N 1.359 1.009 0 C-N-CA 125.851 1.66 . . . . 0.0 110.675 177.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -74.6 155.4 44.9 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 124.178 3.252 . . . . 0.0 115.142 -175.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -68.59 142.22 93.86 Favored Pre-proline 0 C--N 1.362 1.123 0 C-N-CA 129.042 2.937 . . . . 0.0 114.397 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -85.7 148.53 44.46 Favored 'Cis proline' 0 CA--C 1.546 1.082 0 CA-C-N 122.422 1.901 . . . . 0.0 115.329 5.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -168.35 167.85 11.72 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 124.993 1.317 . . . . 0.0 113.458 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.434 HG22 HG23 ' A' ' 70' ' ' VAL . 44.7 t -132.21 131.7 60.93 Favored 'Isoleucine or valine' 0 C--N 1.395 2.554 0 O-C-N 121.09 -1.007 . . . . 0.0 110.504 179.189 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.419 HG22 ' CH2' ' A' ' 71' ' ' TRP . 25.3 m -121.92 151.72 25.59 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 O-C-N 119.817 -1.802 . . . . 0.0 109.955 177.207 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.6 mt -82.68 139.9 17.15 Favored 'Isoleucine or valine' 0 C--N 1.368 1.39 0 C-N-CA 125.481 1.512 . . . . 0.0 107.871 165.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.84 -152.59 6.11 Favored Glycine 0 N--CA 1.441 -0.997 0 N-CA-C 106.234 -2.746 . . . . 0.0 106.234 174.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -146.86 151.9 37.83 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 176.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? . . . . . 0 C--N 1.359 1.009 0 C-N-CA 125.744 1.617 . . . . 0.0 108.664 -178.968 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.529 HD21 ' N ' ' A' ' 63' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.548 0 CA-C-O 122.052 0.929 . . . . 0.0 111.609 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.401 HG13 ' HB3' ' A' ' 7' ' ' SER . 0.2 OUTLIER -108.37 125.05 65.16 Favored 'Isoleucine or valine' 0 C--N 1.366 1.301 0 C-N-CA 128.925 2.89 . . . . 0.0 103.818 177.686 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 p -130.41 124.48 32.23 Favored 'General case' 0 C--N 1.356 0.888 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.3 ptm -145.63 157.73 43.93 Favored 'General case' 0 C--N 1.366 1.324 0 O-C-N 121.239 -0.913 . . . . 0.0 111.83 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -134.41 143.17 47.42 Favored 'General case' 0 C--N 1.369 1.42 0 CA-C-O 122.197 0.999 . . . . 0.0 109.239 172.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.25 0.1 OUTLIER -120.9 130.36 53.86 Favored 'General case' 0 CA--C 1.559 1.296 0 N-CA-C 102.424 -3.176 . . . . 0.0 102.424 169.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -113.32 121.03 43.16 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 127.367 2.267 . . . . 0.0 106.305 -174.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.434 HG23 HG22 ' A' ' 44' ' ' VAL . 2.8 p -119.72 120.52 63.63 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.93 0 C-N-CA 126.266 1.826 . . . . 0.0 107.454 -170.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.419 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -134.97 138.37 43.95 Favored 'General case' 0 C--N 1.37 1.461 0 C-N-CA 117.523 -1.671 . . . . 0.0 109.818 -178.865 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -138.75 90.29 0.2 Allowed Glycine 0 C--N 1.356 1.689 0 N-CA-C 107.528 -2.229 . . . . 0.0 107.528 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.71 45.26 3.37 Favored Glycine 0 C--N 1.359 1.86 0 C-N-CA 126.534 2.016 . . . . 0.0 115.673 -176.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.3 m -105.8 -48.07 3.73 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 128.0 2.52 . . . . 0.0 111.838 -177.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.3 m -163.38 153.74 15.88 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 104.181 -2.525 . . . . 0.0 104.181 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.529 ' HD2' ' H ' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -57.4 -34.61 69.07 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 130.796 3.638 . . . . 0.0 115.231 177.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.83 -35.65 81.8 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 126.945 2.098 . . . . 0.0 114.357 173.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.99 -33.52 74.47 Favored 'General case' 0 C--N 1.371 1.522 0 C-N-CA 127.919 2.488 . . . . 0.0 113.756 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.418 ' HA ' HG12 ' A' ' 82' ' ' ILE . . . -63.1 -32.41 73.78 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 126.689 1.996 . . . . 0.0 114.541 175.288 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -73.63 -42.45 61.43 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 128.417 2.687 . . . . 0.0 111.137 174.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -67.06 -50.87 60.39 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 127.864 2.466 . . . . 0.0 112.871 176.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.418 HG12 ' HA ' ' A' ' 79' ' ' ALA 0.355 19.6 pt -62.11 -37.02 77.4 Favored 'Isoleucine or valine' 0 C--N 1.373 1.62 0 C-N-CA 125.857 1.663 . . . . 0.0 114.851 175.398 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.1 t -62.45 -50.72 70.34 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 127.601 2.361 . . . . 0.0 112.698 169.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.2 m -61.04 -42.0 97.65 Favored 'General case' 0 C--N 1.37 1.498 0 C-N-CA 127.734 2.414 . . . . 0.0 112.553 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.435 HH12 HG13 ' A' ' 28' ' ' VAL . 22.9 ttp180 -66.31 -46.91 75.27 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 129.365 3.066 . . . . 0.0 112.92 173.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.426 3.5 p -70.31 -40.8 78.27 Favored 'Isoleucine or valine' 0 C--N 1.37 1.495 0 O-C-N 119.568 -1.957 . . . . 0.0 116.051 175.01 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.411 1.5 pp -68.8 -33.18 73.42 Favored 'General case' 0 C--N 1.382 1.999 0 O-C-N 119.063 -2.273 . . . . 0.0 113.862 172.468 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -63.51 -47.2 82.68 Favored 'General case' 0 C--N 1.377 1.77 0 CA-C-O 116.774 -1.584 . . . . 0.0 111.994 170.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.513 ' HB2' ' CD2' ' A' ' 21' ' ' TYR . . . -54.45 -47.88 72.39 Favored 'General case' 0 C--N 1.375 1.712 0 C-N-CA 126.892 2.077 . . . . 0.0 115.636 169.354 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.6 mt -55.89 -38.69 70.51 Favored 'General case' 0 C--N 1.379 1.853 0 C-N-CA 126.805 2.042 . . . . 0.0 115.673 176.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.576 0.2 OUTLIER -107.85 10.35 28.63 Favored 'General case' 0 C--N 1.368 1.406 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 169.094 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -47.21 22.23 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 124.281 1.991 . . . . 0.0 107.247 177.013 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.548 ' HD3' ' HB2' ' A' ' 20' ' ' SER . 16.3 tttm -118.81 123.43 29.05 Favored Pre-proline 0 N--CA 1.429 -1.5 0 N-CA-C 102.043 -3.317 . . . . 0.0 102.043 176.362 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.4 151.36 25.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 124.217 3.278 . . . . 0.0 111.192 -175.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.37 106.64 18.38 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-O 124.443 2.068 . . . . 0.0 108.711 178.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 61.9 ttp -143.28 141.66 31.09 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 102.899 -3.0 . . . . 0.0 102.899 -175.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -127.98 113.31 15.67 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.021 1.329 . . . . 0.0 107.599 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 67.82 12.85 9.02 Favored 'General case' 0 C--N 1.362 1.118 0 C-N-CA 130.328 3.451 . . . . 0.0 115.797 175.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.15 -2.21 35.2 Favored Glycine 0 C--N 1.352 1.418 0 C-N-CA 126.204 1.859 . . . . 0.0 111.614 -171.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -90.49 124.32 34.9 Favored 'General case' 0 C--N 1.368 1.402 0 CA-C-N 119.262 1.531 . . . . 0.0 110.977 -178.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.1 m -108.8 153.83 22.93 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 125.11 1.364 . . . . 0.0 110.227 -176.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.483 ' CG ' HD22 ' A' ' 10' ' ' LEU . 10.7 m-85 -131.0 156.18 45.57 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 125.62 1.568 . . . . 0.0 107.189 -173.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.8 t -106.54 119.98 56.91 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 -176.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.46 115.72 20.92 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 124.282 1.033 . . . . 0.0 110.478 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.3 tttm . . . . . 0 C--N 1.358 0.937 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -171.873 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 . . . . . 0 N--CA 1.441 -0.881 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -119.17 123.26 5.6 Favored Glycine 0 C--N 1.364 2.114 0 N-CA-C 105.823 -2.911 . . . . 0.0 105.823 172.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 20.3 tt -117.59 115.77 49.68 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 N-CA-C 103.85 -2.648 . . . . 0.0 103.85 178.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 48.5 mt -119.54 118.83 58.6 Favored 'Isoleucine or valine' 0 C--N 1.364 1.239 0 N-CA-C 106.071 -1.825 . . . . 0.0 106.071 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.4 tttp -107.1 139.52 41.39 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 173.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 62.0 t -126.5 141.1 46.95 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 169.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -112.88 133.94 54.62 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 128.385 2.674 . . . . 0.0 105.254 173.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -130.11 125.57 35.45 Favored 'General case' 0 CA--C 1.5 -0.98 0 N-CA-C 102.557 -3.127 . . . . 0.0 102.557 -177.429 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 37.3 m -120.62 141.04 50.71 Favored 'General case' 0 C--N 1.343 0.295 0 N-CA-C 105.173 -2.158 . . . . 0.0 105.173 -177.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.1 pt . . . . . 0 CA--C 1.502 -0.898 0 N-CA-C 104.277 -2.49 . . . . 0.0 104.277 178.485 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 . . . . . 0 N--CA 1.441 -0.884 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -134.79 62.88 0.61 Allowed Glycine 0 C--N 1.352 1.443 0 C-N-CA 126.765 2.126 . . . . 0.0 110.868 -177.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 93.8 mt -110.5 -68.6 0.92 Allowed 'General case' 0 C--N 1.354 0.796 0 C-N-CA 124.852 1.261 . . . . 0.0 109.287 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -139.65 40.3 2.02 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.99 28.28 0.04 OUTLIER 'General case' 0 C--N 1.36 1.029 0 C-N-CA 128.488 2.715 . . . . 0.0 117.112 -176.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -107.27 -94.73 0.38 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 127.217 2.207 . . . . 0.0 108.158 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm 55.15 -88.89 0.02 OUTLIER 'General case' 0 C--N 1.355 0.847 0 C-N-CA 130.842 3.657 . . . . 0.0 115.56 177.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.501 ' H ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -73.19 -25.53 60.81 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 127.571 2.349 . . . . 0.0 113.286 171.055 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.76 -39.99 79.99 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 125.065 1.346 . . . . 0.0 114.042 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -46.36 90.18 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 127.536 2.334 . . . . 0.0 113.837 175.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.667 1.1 tpt180 -72.55 -36.43 68.25 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-O 124.709 2.195 . . . . 0.0 114.145 176.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.64 -23.68 52.46 Favored 'General case' 0 CA--C 1.567 1.606 0 O-C-N 119.436 -2.04 . . . . 0.0 115.263 163.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.568 ' CD2' HG21 ' A' ' 64' ' ' ILE 0.301 0.2 OUTLIER -63.6 -29.58 70.81 Favored 'General case' 0 C--N 1.385 2.136 0 O-C-N 119.019 -2.301 . . . . 0.0 113.33 165.077 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.251 2.0 tt0 -69.32 -37.14 77.59 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 126.21 1.804 . . . . 0.0 110.072 171.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -63.99 -36.86 85.36 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 166.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.0 -33.52 68.16 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 127.321 2.248 . . . . 0.0 111.679 174.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.403 ' HA ' ' OD1' ' A' ' 17' ' ' ASN . 57.1 m -70.42 -39.24 74.53 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 127.54 2.336 . . . . 0.0 110.89 173.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.1 t -65.42 -30.84 51.43 Favored 'Isoleucine or valine' 0 C--N 1.374 1.635 0 O-C-N 120.154 -1.591 . . . . 0.0 111.432 168.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -68.53 -36.18 78.47 Favored 'General case' 0 C--N 1.368 1.378 0 O-C-N 119.686 -1.884 . . . . 0.0 115.506 170.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.491 ' HB3' ' HG2' ' A' ' 93' ' ' LYS 0.302 1.2 p-10 -68.82 -36.39 78.15 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 121.057 1.753 . . . . 0.0 113.371 165.651 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.03 -40.38 95.51 Favored 'General case' 0 C--N 1.376 1.734 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 171.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -77.5 -27.27 51.79 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 124.488 1.115 . . . . 0.0 113.127 173.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 m -80.89 -20.53 42.0 Favored 'General case' 0 C--N 1.378 1.823 0 O-C-N 120.624 -1.297 . . . . 0.0 113.122 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -88.69 93.13 9.46 Favored 'General case' 0 C--N 1.36 1.044 0 CA-C-O 124.658 2.17 . . . . 0.0 112.546 -178.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.289 5.4 pt20 -51.78 -39.57 62.72 Favored Pre-proline 0 C--N 1.362 1.11 0 C-N-CA 129.88 3.272 . . . . 0.0 118.363 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -65.08 -19.59 63.32 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 124.777 3.651 . . . . 0.0 115.417 169.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 tt -78.86 -43.85 24.15 Favored 'General case' 0 C--N 1.376 1.726 0 CA-C-N 122.493 2.406 . . . . 0.0 114.475 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.4 ptm -57.88 -25.97 61.48 Favored 'General case' 0 C--N 1.357 0.905 1 C-N-CA 132.048 4.139 . . . . 0.0 116.521 175.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -82.29 -22.01 35.9 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 126.207 1.803 . . . . 0.0 111.233 173.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 45.3 ttm -92.68 -30.95 15.3 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 127.893 2.477 . . . . 0.0 112.897 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.439 HG21 HG13 ' A' ' 31' ' ' VAL . 5.4 m -123.64 148.84 27.54 Favored 'Isoleucine or valine' 0 C--N 1.365 1.246 0 O-C-N 120.057 -1.652 . . . . 0.0 107.395 175.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -99.51 -8.52 24.51 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 118.84 -2.412 . . . . 0.0 109.702 170.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.627 ' HB3' ' HB2' ' A' ' 43' ' ' TYR 0.761 0.0 OUTLIER -122.88 40.96 3.57 Favored 'General case' 0 CA--C 1.478 -1.793 0 N-CA-C 121.523 3.897 . . . . 0.0 121.523 -158.834 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.439 HG13 HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -85.83 107.75 16.69 Favored 'Isoleucine or valine' 0 C--N 1.373 1.629 0 CA-C-N 123.022 2.647 . . . . 0.0 105.672 176.297 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.3 t -137.1 153.78 50.45 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 111.142 -2.754 . . . . 0.0 109.443 -173.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -92.14 45.95 1.24 Allowed 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.076 -1.64 . . . . 0.0 113.879 -178.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.429 16.9 m 116.98 -59.33 0.0 OUTLIER Pre-proline 0 C--N 1.358 0.948 0 C-N-CA 128.917 2.887 . . . . 0.0 112.779 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -72.41 136.43 26.28 Favored 'Trans proline' 0 C--N 1.359 1.126 0 CA-C-N 127.377 3.67 . . . . 0.0 114.386 -175.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.67 46.57 0.72 Allowed Glycine 0 C--N 1.355 1.629 0 N-CA-C 109.211 -1.556 . . . . 0.0 109.211 -177.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.25 -21.66 33.28 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 127.126 2.17 . . . . 0.0 112.359 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -104.74 16.02 26.81 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 129.641 3.177 . . . . 0.0 111.245 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.87 162.42 28.95 Favored Pre-proline 0 C--N 1.363 1.153 0 C-N-CA 124.729 1.211 . . . . 0.0 110.874 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -64.29 147.14 90.98 Favored 'Trans proline' 0 C--N 1.363 1.318 0 C-N-CA 124.249 3.299 . . . . 0.0 117.842 -167.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -87.04 137.41 33.14 Favored Pre-proline 0 C--N 1.35 0.595 0 C-N-CA 128.731 2.812 . . . . 0.0 111.021 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -75.84 148.22 89.8 Favored 'Cis proline' 0 C--N 1.363 1.314 0 CA-C-N 123.983 2.458 . . . . 0.0 113.447 -0.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.627 ' HB2' ' HB3' ' A' ' 30' ' ' GLN . 2.1 p90 -169.68 166.14 9.91 Favored 'General case' 0 CA--C 1.579 2.084 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 -175.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.422 HG13 ' HA ' ' A' ' 31' ' ' VAL . 2.4 p -138.97 135.05 42.53 Favored 'Isoleucine or valine' 0 C--N 1.407 3.076 0 N-CA-C 117.736 2.495 . . . . 0.0 117.736 -176.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.1 m -115.15 140.41 36.61 Favored 'Isoleucine or valine' 0 C--N 1.36 1.031 0 O-C-N 119.359 -2.088 . . . . 0.0 110.543 171.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 52.1 mt -96.44 138.96 20.32 Favored 'Isoleucine or valine' 0 C--N 1.366 1.293 0 C-N-CA 126.715 2.006 . . . . 0.0 109.958 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 179.24 -124.85 0.93 Allowed Glycine 0 C--N 1.365 2.139 0 C-N-CA 124.762 1.172 . . . . 0.0 114.44 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -145.14 162.14 37.78 Favored 'General case' 0 C--N 1.368 1.412 0 C-N-CA 127.219 2.207 . . . . 0.0 108.589 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -110.66 137.79 47.88 Favored 'General case' 0 C--N 1.362 1.141 0 C-N-CA 125.087 1.355 . . . . 0.0 110.682 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.4 t 60.06 -140.63 0.61 Allowed 'General case' 0 C--N 1.366 1.296 0 C-N-CA 128.174 2.59 . . . . 0.0 115.719 177.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.8 t -99.43 49.59 0.94 Allowed 'General case' 0 C--N 1.356 0.86 0 C-N-CA 126.479 1.912 . . . . 0.0 109.123 174.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.6 m -68.88 -60.7 4.17 Favored Pre-proline 0 C--N 1.366 1.286 0 C-N-CA 127.273 2.229 . . . . 0.0 112.18 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -81.16 113.93 2.76 Favored 'Trans proline' 0 CA--C 1.549 1.234 0 CA-C-N 125.896 3.142 . . . . 0.0 110.58 170.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -126.54 122.4 35.03 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 125.373 1.469 . . . . 0.0 108.364 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . 0.267 46.9 mt-10 75.8 -40.74 0.41 Allowed 'General case' 0 C--N 1.365 1.274 0 C-N-CA 128.193 2.597 . . . . 0.0 114.714 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.4 t -133.21 160.91 35.88 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 128.564 2.746 . . . . 0.0 105.235 174.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -111.22 21.08 16.71 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 125.026 1.331 . . . . 0.0 110.393 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.7 p -101.75 106.73 17.78 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 126.887 2.075 . . . . 0.0 114.768 -175.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.3 m -59.97 56.11 0.01 OUTLIER 'General case' 0 C--N 1.363 1.163 0 C-N-CA 130.353 3.461 . . . . 0.0 118.803 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . 0.278 22.9 t80 87.45 -74.14 0.02 OUTLIER 'General case' 0 C--N 1.356 0.864 0 C-N-CA 129.537 3.135 . . . . 0.0 112.692 177.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -167.88 -77.16 0.04 OUTLIER Glycine 0 C--N 1.349 1.251 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -178.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -91.12 71.25 6.3 Favored 'General case' 0 C--N 1.358 0.939 0 C-N-CA 127.315 2.246 . . . . 0.0 112.199 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -164.31 150.25 10.74 Favored 'General case' 0 N--CA 1.447 -0.587 0 O-C-N 120.415 -1.428 . . . . 0.0 110.139 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.568 HG21 ' CD2' ' A' ' 10' ' ' LEU . 4.2 mp -123.25 131.65 72.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 C-N-CA 131.191 3.796 . . . . 0.0 102.741 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.2 m -131.54 136.11 47.59 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 118.888 -2.383 . . . . 0.0 109.229 -176.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.7 ttt -145.93 126.71 14.38 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 124.632 1.173 . . . . 0.0 110.278 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -116.73 151.06 37.18 Favored 'General case' 0 C--N 1.361 1.076 0 CA-C-O 122.74 1.257 . . . . 0.0 108.281 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.456 ' CZ ' HD11 ' A' ' 90' ' ' LEU . 1.2 m-85 -129.09 133.97 47.89 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 128.169 2.587 . . . . 0.0 105.729 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -126.21 119.13 26.68 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 125.462 1.505 . . . . 0.0 107.107 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.1 t -120.72 128.65 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.062 0 C-N-CA 124.906 1.282 . . . . 0.0 109.274 -170.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -122.19 106.63 11.31 Favored 'General case' 0 C--N 1.362 1.147 0 N-CA-C 106.86 -1.534 . . . . 0.0 106.86 173.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -85.91 -53.51 2.99 Favored Glycine 0 C--N 1.364 2.105 0 C-N-CA 126.831 2.158 . . . . 0.0 109.749 176.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.6 40.18 15.94 Favored Glycine 0 C--N 1.365 2.162 0 C-N-CA 126.39 1.948 . . . . 0.0 116.034 175.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.6 p -127.64 -119.52 0.25 Allowed 'General case' 0 C--N 1.358 0.973 0 CA-C-N 118.54 1.17 . . . . 0.0 111.162 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 p -122.39 168.92 11.49 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 127.019 2.127 . . . . 0.0 111.204 -172.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.05 -36.08 37.92 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 131.009 3.724 . . . . 0.0 119.26 -166.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.19 -35.64 78.31 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 127.787 2.435 . . . . 0.0 114.463 175.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -71.03 -33.08 69.98 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 126.691 1.996 . . . . 0.0 113.265 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.57 78.51 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 126.369 1.868 . . . . 0.0 113.686 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -77.45 -33.94 54.58 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 124.845 1.258 . . . . 0.0 112.309 172.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -66.42 -46.0 77.98 Favored 'General case' 0 C--N 1.372 1.582 0 C-N-CA 126.43 1.892 . . . . 0.0 112.812 171.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.7 pt -65.75 -42.76 93.12 Favored 'Isoleucine or valine' 0 C--N 1.373 1.596 0 CA-C-N 121.255 1.843 . . . . 0.0 113.838 173.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . 0.346 68.6 p -68.59 -44.04 75.21 Favored 'General case' 0 C--N 1.376 1.753 0 C-N-CA 125.965 1.706 . . . . 0.0 113.853 175.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.9 t -68.2 -36.16 79.13 Favored 'General case' 0 C--N 1.371 1.531 0 O-C-N 119.956 -1.715 . . . . 0.0 113.105 172.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -66.42 -42.94 87.02 Favored 'General case' 0 C--N 1.371 1.502 0 C-N-CA 125.048 1.339 . . . . 0.0 112.681 174.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.351 0.7 OUTLIER -64.64 -43.2 96.67 Favored 'Isoleucine or valine' 0 C--N 1.382 2.016 0 CA-C-N 120.375 1.443 . . . . 0.0 113.877 173.116 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.41 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 10.5 mp -71.54 -36.8 71.11 Favored 'General case' 0 C--N 1.378 1.844 0 O-C-N 119.233 -2.167 . . . . 0.0 113.016 174.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.31 -34.3 75.01 Favored 'General case' 0 C--N 1.38 1.908 0 C-N-CA 126.362 1.865 . . . . 0.0 112.28 172.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.44 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -67.25 -51.67 50.2 Favored 'General case' 0 C--N 1.372 1.567 0 CA-C-O 122.055 0.931 . . . . 0.0 111.691 167.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.456 HD11 ' CZ ' ' A' ' 68' ' ' PHE . 4.3 mp -49.76 -30.15 8.98 Favored 'General case' 0 C--N 1.374 1.659 0 C-N-CA 128.939 2.895 . . . . 0.0 118.05 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.352 0.2 OUTLIER -117.97 9.53 12.83 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 124.921 1.289 . . . . 0.0 112.039 169.347 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.44 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -71.61 -49.86 36.25 Favored 'General case' 0 C--N 1.372 1.572 0 O-C-N 119.02 -2.3 . . . . 0.0 107.578 176.58 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.491 ' HG2' ' HB3' ' A' ' 17' ' ' ASN 0.348 5.7 ptpt -115.52 122.31 33.14 Favored Pre-proline 0 C--N 1.356 0.89 0 N-CA-C 104.641 -2.355 . . . . 0.0 104.641 171.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -62.11 147.83 94.33 Favored 'Trans proline' 0 C--N 1.37 1.688 0 C-N-CA 124.73 3.62 . . . . 0.0 115.109 -173.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 60.8 mt -83.22 107.79 16.01 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-O 123.949 1.833 . . . . 0.0 115.542 -172.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 46.3 ttm -143.62 153.48 42.57 Favored 'General case' 0 N--CA 1.424 -1.731 0 N-CA-C 105.19 -2.152 . . . . 0.0 105.19 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -133.49 145.83 50.54 Favored 'General case' 0 N--CA 1.442 -0.863 1 C-N-CA 131.9 4.08 . . . . 0.0 101.167 178.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -49.64 77.59 0.0 OUTLIER 'General case' 0 C--N 1.349 0.58 1 C-N-CA 133.45 4.7 . . . . 0.0 117.157 -173.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 106.96 -6.4 37.27 Favored Glycine 0 C--N 1.353 1.512 0 C-N-CA 127.61 2.529 . . . . 0.0 112.651 -175.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -122.35 125.47 46.01 Favored 'General case' 0 C--N 1.367 1.356 0 CA-C-N 118.708 1.254 . . . . 0.0 114.262 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.1 m -115.3 144.02 44.39 Favored 'General case' 0 C--N 1.364 1.202 0 O-C-N 120.003 -1.686 . . . . 0.0 110.261 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.22 143.72 27.2 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 129.972 3.309 . . . . 0.0 104.319 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 37.7 t -114.99 139.67 40.05 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 C-N-CA 126.683 1.993 . . . . 0.0 109.008 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.62 108.82 14.59 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 125.029 1.332 . . . . 0.0 109.37 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -141.76 98.18 3.29 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 125.651 1.58 . . . . 0.0 107.6 -170.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -160.02 163.87 33.67 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 125.549 1.54 . . . . 0.0 107.792 -175.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -132.14 115.99 16.44 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 126.419 1.888 . . . . 0.0 107.272 177.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.2 m -149.06 173.07 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.056 0 C-N-CA 126.39 1.876 . . . . 0.0 107.328 -175.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.9 tp -156.16 144.27 19.77 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 174.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.24 123.34 24.12 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 101.541 -3.503 . . . . 0.0 101.541 174.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -100.3 136.5 40.09 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 124.912 1.285 . . . . 0.0 110.666 -174.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 34.8 m -100.2 119.4 48.22 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 C-N-CA 125.311 1.444 . . . . 0.0 108.326 177.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.421 ' H ' ' HE3' ' A' ' 121' ' ' LYS . 3.2 pt -141.15 156.87 22.17 Favored 'Isoleucine or valine' 0 C--N 1.359 0.985 0 O-C-N 120.137 -1.602 . . . . 0.0 110.796 -175.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 59.8 m -120.14 122.86 41.95 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 104.924 -2.25 . . . . 0.0 104.924 177.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -116.87 147.01 42.55 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 120.636 -1.29 . . . . 0.0 111.08 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.1 p -62.46 -20.45 64.55 Favored 'General case' 0 C--N 1.361 1.09 1 C-N-CA 131.881 4.073 . . . . 0.0 115.53 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -85.56 -13.32 49.24 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 128.288 2.635 . . . . 0.0 112.968 176.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.71 48.07 4.32 Favored Glycine 0 C--N 1.37 2.456 0 N-CA-C 117.885 1.914 . . . . 0.0 117.885 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 6.4 p -81.82 148.83 5.09 Favored 'Isoleucine or valine' 0 C--N 1.36 1.059 0 C-N-CA 125.891 1.676 . . . . 0.0 113.517 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.4 HG22 ' H ' ' A' ' 120' ' ' THR . 3.6 t -73.12 151.27 41.66 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 128.478 2.711 . . . . 0.0 110.765 174.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.421 ' HE3' ' H ' ' A' ' 113' ' ' ILE . 0.0 OUTLIER -96.42 115.02 26.75 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-O 123.327 1.537 . . . . 0.0 110.676 173.274 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -128.87 148.92 50.94 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 128.166 2.586 . . . . 0.0 108.051 -177.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -122.18 124.26 5.68 Favored Glycine 0 C--N 1.357 1.716 0 N-CA-C 108.002 -2.039 . . . . 0.0 108.002 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -116.22 118.76 59.84 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 N-CA-C 102.884 -3.006 . . . . 0.0 102.884 177.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.8 127.13 75.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 -173.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -123.49 120.28 32.45 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 18.0 t -125.47 141.61 44.81 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 CA-C-O 122.87 1.319 . . . . 0.0 108.001 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -132.54 140.25 48.22 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 126.432 1.893 . . . . 0.0 106.051 175.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -123.83 139.73 53.68 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 102.581 -3.118 . . . . 0.0 102.581 -176.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 52.5 m -122.77 137.77 54.83 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 121.241 0.543 . . . . 0.0 109.815 -172.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.1 pt -107.26 115.09 47.84 Favored 'Isoleucine or valine' 0 C--N 1.361 1.095 0 N-CA-C 100.833 -3.765 . . . . 0.0 100.833 171.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -165.3 -56.76 0.03 OUTLIER 'General case' 0 C--N 1.348 0.507 0 N-CA-C 104.239 -2.504 . . . . 0.0 104.239 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -134.13 66.71 1.53 Allowed 'General case' 0 C--N 1.362 1.132 0 N-CA-C 104.923 -2.251 . . . . 0.0 104.923 172.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -92.95 75.87 4.78 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 127.043 2.137 . . . . 0.0 112.848 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 61.5 p -66.14 93.36 0.2 Allowed 'General case' 0 C--N 1.353 0.724 0 C-N-CA 128.599 2.759 . . . . 0.0 115.202 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 1.365 0 N-CA-C 107.806 -2.118 . . . . 0.0 107.806 177.983 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 . . . . . 0 N--CA 1.439 -1.024 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -111.02 -20.53 7.11 Favored Glycine 0 C--N 1.353 1.488 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 163.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 3.0 pp -125.3 19.78 8.16 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 121.229 -1.159 . . . . 0.0 113.485 -175.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . 0.258 33.4 mt-30 73.13 77.09 0.14 Allowed 'General case' 0 C--N 1.36 1.059 0 C-N-CA 127.748 2.419 . . . . 0.0 113.917 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.4 m -104.52 128.42 52.47 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 125.863 1.665 . . . . 0.0 109.217 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -113.81 179.7 3.88 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 119.715 1.143 . . . . 0.0 109.711 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.287 56.2 tttm 74.5 -52.31 0.68 Allowed 'General case' 0 C--N 1.363 1.17 0 C-N-CA 127.777 2.431 . . . . 0.0 116.041 -178.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.5 tp -72.47 -25.5 61.45 Favored 'General case' 0 C--N 1.378 1.816 0 C-N-CA 126.201 1.8 . . . . 0.0 111.735 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.71 -35.07 68.09 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 129.132 2.973 . . . . 0.0 114.563 174.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 63.9 m -65.89 -48.2 72.28 Favored 'General case' 0 C--N 1.376 1.722 0 C-N-CA 126.062 1.745 . . . . 0.0 112.48 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.889 7.2 tpp85 -74.55 -37.03 63.11 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 118.631 -2.543 . . . . 0.0 117.576 170.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.422 ' HB1' ' CD1' ' A' ' 97' ' ' PHE . . . -54.85 -23.78 20.08 Favored 'General case' 0 CA--C 1.558 1.266 0 O-C-N 118.593 -2.567 . . . . 0.0 115.447 169.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.729 HD23 HG21 ' A' ' 64' ' ' ILE . 4.3 tp -60.11 -37.29 79.56 Favored 'General case' 0 C--N 1.375 1.681 0 C-N-CA 127.211 2.204 . . . . 0.0 112.505 163.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.28 -38.01 81.26 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 127.183 2.193 . . . . 0.0 110.251 176.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.464 0.0 OUTLIER -67.29 -30.76 70.7 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 116.427 2.01 . . . . 0.0 116.427 166.128 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.13 -33.83 68.1 Favored 'General case' 0 C--N 1.366 1.31 0 O-C-N 119.544 -1.972 . . . . 0.0 113.313 172.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.4 m -71.3 -34.87 71.01 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 128.709 2.804 . . . . 0.0 112.08 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.4 t -68.66 -31.21 49.99 Favored 'Isoleucine or valine' 0 C--N 1.37 1.46 0 C-N-CA 126.509 1.924 . . . . 0.0 109.157 168.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.409 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 10.8 tt0 -67.22 -31.81 72.43 Favored 'General case' 0 C--N 1.372 1.587 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 169.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.419 ' HA ' ' HG2' ' A' ' 93' ' ' LYS . 1.4 m120 -59.77 -49.92 75.83 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 125.435 1.494 . . . . 0.0 113.131 161.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.5 mp -55.93 -37.3 68.78 Favored 'General case' 0 C--N 1.369 1.446 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.409 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 10.8 pt-20 -90.18 -15.32 31.71 Favored 'General case' 0 C--N 1.369 1.417 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 173.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -90.95 -25.38 19.79 Favored 'General case' 0 C--N 1.381 1.971 0 CA-C-N 121.524 1.965 . . . . 0.0 110.805 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -75.91 103.34 5.94 Favored 'General case' 0 C--N 1.364 1.206 0 CA-C-O 122.931 1.348 . . . . 0.0 112.576 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -40.0 -49.44 5.99 Favored Pre-proline 0 C--N 1.364 1.199 1 C-N-CA 132.324 4.249 . . . . 0.0 117.864 -172.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.94 -22.85 62.4 Favored 'Trans proline' 0 C--N 1.358 1.037 0 C-N-CA 124.686 3.59 . . . . 0.0 114.808 173.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.8 mt -69.35 -20.97 63.84 Favored 'General case' 0 C--N 1.373 1.627 0 CA-C-N 121.851 2.114 . . . . 0.0 114.381 177.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 59.4 mtt -64.7 -29.77 70.77 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 128.127 2.571 . . . . 0.0 113.157 172.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -95.21 -30.14 14.15 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 128.169 2.588 . . . . 0.0 112.377 176.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.5 tpp -88.25 -31.05 19.23 Favored 'General case' 0 C--N 1.362 1.112 0 N-CA-C 119.028 2.973 . . . . 0.0 119.028 -173.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.672 HG23 ' HA ' ' A' ' 43' ' ' TYR . 2.2 p -131.03 147.15 33.06 Favored 'Isoleucine or valine' 0 C--N 1.367 1.347 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.25 8.9 t-20 -99.68 -27.18 13.79 Favored 'General case' 0 C--N 1.361 1.098 0 CA-C-O 124.708 2.194 . . . . 0.0 111.77 173.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.439 ' H ' HG22 ' A' ' 28' ' ' VAL 0.453 8.5 mm100 -120.74 39.91 3.66 Favored 'General case' 0 N--CA 1.423 -1.81 1 C-N-CA 133.152 4.581 . . . . 0.0 116.284 -152.101 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 p -87.63 110.05 20.25 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 CA-C-O 124.724 2.202 . . . . 0.0 107.032 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.0 t -142.02 149.02 39.44 Favored 'General case' 0 C--N 1.348 0.5 0 CA-C-N 112.315 -2.22 . . . . 0.0 109.428 -169.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -84.34 53.35 2.61 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -176.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.639 93.2 p 110.59 -60.65 0.0 OUTLIER Pre-proline 0 C--N 1.354 0.795 0 C-N-CA 128.677 2.791 . . . . 0.0 114.207 178.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -70.11 148.14 62.12 Favored 'Trans proline' 0 C--N 1.361 1.215 0 CA-C-N 127.444 3.694 . . . . 0.0 113.91 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.64 26.1 5.73 Favored Glycine 0 C--N 1.36 1.872 0 CA-C-N 119.221 0.919 . . . . 0.0 111.081 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -20.3 62.33 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 130.81 3.644 . . . . 0.0 113.669 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -106.46 15.33 26.09 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 127.735 2.414 . . . . 0.0 112.245 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.2 169.71 8.28 Favored Pre-proline 0 C--N 1.365 1.245 0 CA-C-O 117.082 -1.437 . . . . 0.0 111.536 -177.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.58 143.83 93.84 Favored 'Trans proline' 0 C--N 1.366 1.466 0 C-N-CA 125.208 3.939 . . . . 0.0 120.963 -168.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -91.26 137.8 26.02 Favored Pre-proline 0 C--N 1.356 0.886 0 C-N-CA 129.402 3.081 . . . . 0.0 112.009 -176.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.2 148.58 92.27 Favored 'Cis proline' 0 C--N 1.365 1.432 0 CA-C-N 123.916 2.434 . . . . 0.0 113.14 -3.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.672 ' HA ' HG23 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -171.46 167.15 6.81 Favored 'General case' 0 C--N 1.368 1.383 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -173.852 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.541 HG12 HG21 ' A' ' 28' ' ' VAL . 12.3 p -138.87 135.23 42.83 Favored 'Isoleucine or valine' 0 C--N 1.395 2.574 0 N-CA-C 117.523 2.416 . . . . 0.0 117.523 -176.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.42 HG22 ' CH2' ' A' ' 71' ' ' TRP . 18.1 m -113.05 134.76 54.68 Favored 'Isoleucine or valine' 0 C--N 1.366 1.309 0 O-C-N 120.198 -1.564 . . . . 0.0 108.674 168.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.9 mm -88.05 135.02 26.49 Favored 'Isoleucine or valine' 0 C--N 1.366 1.31 0 C-N-CA 127.262 2.225 . . . . 0.0 107.246 175.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -165.59 -142.33 3.39 Favored Glycine 0 C--N 1.347 1.192 0 O-C-N 120.236 -1.54 . . . . 0.0 112.389 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -145.33 144.22 30.59 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 125.172 1.389 . . . . 0.0 110.739 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -91.66 144.2 25.77 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 127.453 2.301 . . . . 0.0 108.024 176.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.2 p -74.94 85.42 2.25 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 125.542 1.537 . . . . 0.0 115.116 -178.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.9 m -32.67 28.95 0.0 OUTLIER 'General case' 0 C--N 1.373 1.608 2 C-N-CA 136.598 5.959 . . . . 0.0 122.155 -177.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.274 7.0 p -76.31 -58.69 1.18 Allowed Pre-proline 0 C--N 1.352 0.703 0 C-N-CA 129.877 3.271 . . . . 0.0 113.701 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -80.34 114.1 3.0 Favored 'Trans proline' 0 C--N 1.361 1.198 0 CA-C-N 126.138 3.228 . . . . 0.0 109.945 173.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.68 116.46 14.03 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 120.907 -1.121 . . . . 0.0 111.404 -176.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -120.73 -7.54 9.57 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 125.614 1.566 . . . . 0.0 114.136 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.5 p -122.36 108.68 13.5 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -151.49 111.56 4.09 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 122.958 1.361 . . . . 0.0 110.173 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.9 m 170.03 176.34 0.05 Allowed 'General case' 0 C--N 1.352 0.703 0 N-CA-C 100.306 -3.961 . . . . 0.0 100.306 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.6 t -164.71 -178.76 5.48 Favored 'General case' 0 C--N 1.358 0.96 0 CA-C-N 120.875 1.67 . . . . 0.0 108.467 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -122.53 -7.27 8.63 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 128.774 2.83 . . . . 0.0 111.278 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 169.31 -67.87 0.16 Allowed Glycine 0 C--N 1.358 1.752 0 O-C-N 120.272 -1.518 . . . . 0.0 112.089 176.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -146.33 158.63 43.91 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -134.27 152.02 51.59 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 122.877 1.322 . . . . 0.0 108.503 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.729 HG21 HD23 ' A' ' 10' ' ' LEU . 4.4 mp -122.06 127.02 75.19 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 N-CA-C 100.741 -3.8 . . . . 0.0 100.741 174.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.0 t -129.96 131.6 46.0 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.2 ttt -138.58 141.52 39.2 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 127.033 2.133 . . . . 0.0 107.984 -173.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.35 163.16 28.47 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-O 122.701 1.239 . . . . 0.0 109.352 177.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -135.55 141.86 45.28 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 126.447 1.899 . . . . 0.0 106.523 173.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -113.3 119.06 36.38 Favored 'General case' 0 C--N 1.363 1.184 0 N-CA-C 101.092 -3.67 . . . . 0.0 101.092 173.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.0 t -123.37 129.35 74.83 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.24 0 N-CA-C 104.535 -2.395 . . . . 0.0 104.535 -169.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.42 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -124.41 121.08 33.93 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 176.784 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.67 140.21 14.79 Favored Glycine 0 C--N 1.362 2.0 0 C-N-CA 125.109 1.338 . . . . 0.0 113.286 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -126.28 179.16 16.41 Favored Glycine 0 C--N 1.355 1.636 0 C-N-CA 126.398 1.951 . . . . 0.0 108.496 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.294 7.5 m 87.12 -81.51 0.01 OUTLIER 'General case' 0 C--N 1.359 0.981 0 C-N-CA 129.181 2.992 . . . . 0.0 110.424 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.0 p -144.12 172.76 12.45 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -59.23 -34.8 72.64 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 129.374 3.07 . . . . 0.0 116.32 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.7 -36.23 67.81 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 127.866 2.466 . . . . 0.0 113.545 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -71.54 -33.75 69.41 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.625 1.97 . . . . 0.0 113.366 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.04 -40.59 78.49 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 128.659 2.783 . . . . 0.0 112.898 169.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -66.31 -42.64 87.99 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 126.873 2.069 . . . . 0.0 111.992 175.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -58.72 -48.19 82.01 Favored 'General case' 0 C--N 1.377 1.784 0 C-N-CA 128.862 2.865 . . . . 0.0 112.956 172.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.284 7.1 pt -58.85 -40.7 80.74 Favored 'Isoleucine or valine' 0 C--N 1.378 1.829 0 CA-C-N 121.858 2.117 . . . . 0.0 113.496 172.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . 0.269 49.7 p -64.56 -46.73 81.52 Favored 'General case' 0 C--N 1.378 1.841 0 O-C-N 120.395 -1.441 . . . . 0.0 114.722 171.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.8 p -68.31 -39.13 82.12 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 126.147 1.779 . . . . 0.0 115.125 176.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 65.7 mmt-85 -71.41 -34.17 70.1 Favored 'General case' 0 C--N 1.378 1.822 0 C-N-CA 125.417 1.487 . . . . 0.0 112.84 173.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.415 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 46.8 t -67.51 -49.46 70.79 Favored 'Isoleucine or valine' 0 C--N 1.38 1.901 0 O-C-N 120.471 -1.393 . . . . 0.0 112.523 173.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.84 -40.33 97.11 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 119.598 -1.938 . . . . 0.0 113.187 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -62.25 -37.85 87.02 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 126.862 2.065 . . . . 0.0 112.679 170.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.517 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -62.3 -50.02 73.33 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 125.817 1.647 . . . . 0.0 112.131 171.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 86' ' ' VAL . 45.8 mt -49.45 -47.36 48.33 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 126.914 2.086 . . . . 0.0 115.401 177.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.466 0.2 OUTLIER -97.96 9.3 43.11 Favored 'General case' 0 C--N 1.375 1.678 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 167.511 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.517 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 0.1 OUTLIER -71.3 -54.83 9.49 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 118.109 -2.869 . . . . 0.0 108.782 175.02 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.419 ' HG2' ' HA ' ' A' ' 17' ' ' ASN 0.259 12.5 ptpt -111.71 146.82 35.49 Favored Pre-proline 0 C--N 1.369 1.422 0 C-N-CA 117.759 -1.576 . . . . 0.0 112.343 -178.246 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.34 125.68 10.97 Favored 'Trans proline' 0 C--N 1.369 1.627 0 C-N-CA 124.17 3.246 . . . . 0.0 111.318 -176.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.36 107.77 4.48 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 124.996 1.318 . . . . 0.0 112.109 -178.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 52.4 ttm -143.92 142.06 30.57 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 125.247 1.419 . . . . 0.0 108.02 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.422 ' CD1' ' HB1' ' A' ' 9' ' ' ALA . 46.4 t80 -136.97 111.91 8.91 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 104.38 -2.452 . . . . 0.0 104.38 176.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 59.31 28.58 17.95 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 129.775 3.23 . . . . 0.0 116.076 171.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.07 -0.71 64.41 Favored Glycine 0 C--N 1.354 1.534 0 C-N-CA 126.828 2.156 . . . . 0.0 113.009 -172.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -100.96 125.15 47.54 Favored 'General case' 0 C--N 1.364 1.198 0 CA-C-N 120.483 2.141 . . . . 0.0 110.302 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.2 p -97.82 144.09 27.77 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 128.328 2.651 . . . . 0.0 114.313 -175.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.96 140.51 38.28 Favored 'General case' 0 C--N 1.359 1.016 0 N-CA-C 105.198 -2.149 . . . . 0.0 105.198 177.025 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.2 t -106.62 119.13 55.61 Favored 'Isoleucine or valine' 0 C--N 1.36 1.028 0 C-N-CA 125.888 1.675 . . . . 0.0 109.407 -169.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.26 138.06 35.78 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 116.654 2.094 . . . . 0.0 116.654 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -104.31 108.32 19.66 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 101.254 -3.61 . . . . 0.0 101.254 166.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -70.13 -38.81 75.62 Favored 'General case' 0 C--N 1.369 1.434 0 N-CA-C 116.78 2.141 . . . . 0.0 116.78 -171.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.1 tp 69.0 67.51 0.28 Allowed 'General case' 0 C--N 1.363 1.187 0 C-N-CA 127.707 2.403 . . . . 0.0 111.464 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.6 t -74.19 54.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.365 1.247 0 C-N-CA 128.1 2.56 . . . . 0.0 113.968 -172.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.6 tp -106.08 61.63 0.65 Allowed 'General case' 0 C--N 1.356 0.879 0 C-N-CA 126.691 1.997 . . . . 0.0 108.662 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.42 79.1 9.57 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 127.15 2.18 . . . . 0.0 112.508 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -75.97 116.77 17.0 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 127.457 2.303 . . . . 0.0 113.254 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.5 t -100.11 122.54 52.13 Favored 'Isoleucine or valine' 0 C--N 1.359 0.991 0 C-N-CA 126.481 1.912 . . . . 0.0 107.599 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.64 137.18 51.58 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 C-N-CA 124.6 1.16 . . . . 0.0 108.359 -176.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 34.1 p -96.38 119.62 35.19 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 127.299 2.24 . . . . 0.0 111.449 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -101.36 125.26 47.98 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 124.943 1.297 . . . . 0.0 108.2 178.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.6 p -71.82 -27.81 63.16 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 127.073 2.149 . . . . 0.0 116.587 -175.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -90.26 -9.73 46.88 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.209 1.404 . . . . 0.0 112.976 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.49 -0.76 85.45 Favored Glycine 0 C--N 1.364 2.086 0 C-N-CA 124.99 1.281 . . . . 0.0 114.716 -177.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 9.6 p -85.46 144.13 10.22 Favored 'Isoleucine or valine' 0 C--N 1.362 1.15 0 C-N-CA 127.912 2.485 . . . . 0.0 111.18 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 19.1 p -90.08 151.31 21.68 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 129.413 3.085 . . . . 0.0 114.133 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -110.19 141.38 43.2 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 126.874 2.07 . . . . 0.0 107.418 174.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -93.31 143.06 26.63 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 126.856 2.062 . . . . 0.0 109.765 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -132.55 168.13 22.84 Favored Glycine 0 C--N 1.359 1.808 0 CA-C-O 122.392 0.995 . . . . 0.0 114.147 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 7.0 tt -126.6 140.18 49.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 N-CA-C 104.032 -2.581 . . . . 0.0 104.032 171.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 11.7 tt -140.54 138.28 35.98 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -112.13 141.02 46.33 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 126.313 1.845 . . . . 0.0 111.164 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.9 p -123.36 142.01 41.57 Favored 'Isoleucine or valine' 0 C--N 1.363 1.155 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -126.55 140.31 52.55 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 125.716 1.606 . . . . 0.0 109.554 -177.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.532 ' CG ' HD21 ' A' ' 10' ' ' LEU . 8.1 m-85 -131.1 141.42 50.15 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 119.578 -1.951 . . . . 0.0 107.009 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.1 p -111.64 145.08 39.85 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 128.458 2.703 . . . . 0.0 109.252 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 16.3 pt -82.5 144.09 10.87 Favored 'Isoleucine or valine' 0 C--N 1.365 1.27 0 O-C-N 120.478 -1.388 . . . . 0.0 113.906 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -168.53 -165.1 0.55 Allowed 'General case' 0 C--N 1.352 0.715 0 N-CA-C 101.393 -3.558 . . . . 0.0 101.393 177.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -90.26 -64.35 1.15 Allowed 'General case' 0 C--N 1.363 1.167 0 CA-C-N 120.012 1.278 . . . . 0.0 111.236 174.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -158.61 167.27 30.01 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 99.3 m -104.75 131.39 52.26 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 175.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.361 1.95 0 C-N-CA 125.045 1.307 . . . . 0.0 112.725 -178.251 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 . . . . . 0 N--CA 1.44 -0.96 0 CA-C-O 122.311 1.053 . . . . 0.0 108.573 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 78.11 -61.95 3.73 Favored Glycine 0 C--N 1.354 1.558 0 C-N-CA 126.835 2.159 . . . . 0.0 114.878 -177.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 35.4 tp 84.77 -55.8 0.1 Allowed 'General case' 0 C--N 1.367 1.356 0 C-N-CA 129.918 3.287 . . . . 0.0 111.051 -176.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -155.97 178.06 10.71 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 p -82.81 63.62 7.02 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 126.771 2.029 . . . . 0.0 112.873 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 46.6 p-90 -94.75 127.98 41.13 Favored 'General case' 0 C--N 1.365 1.248 0 C-N-CA 127.174 2.19 . . . . 0.0 111.055 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -99.75 130.9 46.0 Favored 'General case' 0 C--N 1.348 0.515 0 C-N-CA 125.581 1.552 . . . . 0.0 109.788 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.4 tp -64.83 -33.72 76.65 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 128.482 2.713 . . . . 0.0 115.057 -177.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.4 -40.6 81.23 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 126.154 1.782 . . . . 0.0 113.823 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.437 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 59.3 m -58.56 -47.4 84.35 Favored 'General case' 0 C--N 1.381 1.941 0 C-N-CA 125.624 1.57 . . . . 0.0 113.304 176.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.652 5.6 tpt180 -73.37 -36.59 66.12 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 117.615 2.45 . . . . 0.0 117.615 169.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.15 -22.47 4.28 Favored 'General case' 0 CA--C 1.566 1.559 0 O-C-N 117.608 -3.183 . . . . 0.0 115.316 168.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.505 HD23 HG21 ' A' ' 64' ' ' ILE . 7.4 tp -55.58 -38.79 69.85 Favored 'General case' 0 C--N 1.377 1.785 0 C-N-CA 126.771 2.028 . . . . 0.0 113.664 160.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -67.67 -36.9 81.56 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 129.068 2.947 . . . . 0.0 109.84 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -64.57 -35.64 81.65 Favored 'General case' 0 CA--C 1.559 1.305 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 166.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.29 -33.0 67.09 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.709 2.404 . . . . 0.0 113.199 172.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 48.6 m -70.98 -39.73 72.31 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 129.398 3.079 . . . . 0.0 110.03 173.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 t -66.0 -31.57 54.28 Favored 'Isoleucine or valine' 0 C--N 1.379 1.88 0 C-N-CA 125.847 1.659 . . . . 0.0 110.875 168.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.429 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 23.8 tt0 -68.58 -32.78 72.93 Favored 'General case' 0 C--N 1.372 1.583 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 170.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -62.27 -47.29 84.99 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 126.289 1.836 . . . . 0.0 112.515 162.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.9 mt -62.94 -32.59 73.94 Favored 'General case' 0 C--N 1.364 1.207 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 175.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.429 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 12.3 pt-20 -88.35 -23.18 23.47 Favored 'General case' 0 C--N 1.367 1.356 0 CA-C-O 118.484 -0.77 . . . . 0.0 112.512 172.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 t -87.28 -24.87 24.21 Favored 'General case' 0 C--N 1.385 2.112 0 CA-C-N 121.153 1.797 . . . . 0.0 112.685 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.407 ' HB2' ' CD2' ' A' ' 92' ' ' TYR . 31.0 t80 -80.91 94.88 6.58 Favored 'General case' 0 C--N 1.368 1.411 0 O-C-N 120.339 -1.476 . . . . 0.0 111.078 177.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.437 4.7 pt20 -40.63 -40.01 1.9 Allowed Pre-proline 0 C--N 1.363 1.154 0 N-CA-C 121.241 3.793 . . . . 0.0 121.241 -174.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -64.57 -20.55 65.72 Favored 'Trans proline' 0 CA--C 1.552 1.4 0 CA-C-N 126.609 3.396 . . . . 0.0 115.649 169.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.9 mt -77.19 -26.99 53.45 Favored 'General case' 0 C--N 1.373 1.62 0 CA-C-N 121.68 2.036 . . . . 0.0 112.995 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 82.4 mtp -62.71 -29.38 70.62 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 128.678 2.791 . . . . 0.0 113.942 176.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -94.9 -8.94 35.72 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 129.2 3.0 . . . . 0.0 111.588 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -99.75 -56.51 2.37 Favored 'General case' 0 C--N 1.36 1.065 0 C-N-CA 126.591 1.956 . . . . 0.0 113.01 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.534 HG23 ' HA ' ' A' ' 43' ' ' TYR . 2.5 p -121.12 144.38 30.34 Favored 'Isoleucine or valine' 0 C--N 1.359 1.01 0 O-C-N 119.192 -2.192 . . . . 0.0 109.304 -173.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.303 13.2 t-20 -102.21 -21.47 14.36 Favored 'General case' 0 C--N 1.35 0.607 1 C-N-CA 131.784 4.034 . . . . 0.0 114.202 -177.862 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.501 ' H ' HG22 ' A' ' 28' ' ' VAL . 6.2 mm-40 -136.02 39.38 2.75 Favored 'General case' 0 N--CA 1.432 -1.338 1 CA-C-N 108.341 -4.027 . . . . 0.0 110.63 -148.001 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.1 p -91.62 108.6 20.18 Favored 'Isoleucine or valine' 0 C--N 1.368 1.396 0 CA-C-O 123.248 1.499 . . . . 0.0 109.514 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 t -146.69 170.14 17.57 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 125.094 1.357 . . . . 0.0 112.423 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -91.36 96.86 10.75 Favored 'General case' 0 C--N 1.363 1.168 0 O-C-N 119.792 -1.817 . . . . 0.0 112.477 177.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.659 85.4 p 88.19 -70.01 0.0 OUTLIER Pre-proline 0 C--N 1.36 1.06 0 N-CA-C 119.087 2.995 . . . . 0.0 119.087 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -68.59 161.45 45.11 Favored 'Trans proline' 0 C--N 1.374 1.903 1 CA-C-N 128.937 4.227 . . . . 0.0 116.129 -177.21 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.12 -3.43 35.35 Favored Glycine 0 C--N 1.358 1.756 0 O-C-N 121.295 -0.878 . . . . 0.0 112.13 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.67 -30.43 5.49 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 129.844 3.258 . . . . 0.0 117.92 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -105.8 16.38 25.32 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 129.573 3.149 . . . . 0.0 112.721 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.64 163.12 25.39 Favored Pre-proline 0 C--N 1.362 1.12 0 O-C-N 120.134 -1.604 . . . . 0.0 109.607 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -64.79 135.42 44.72 Favored 'Trans proline' 0 C--N 1.361 1.22 0 C-N-CA 124.701 3.601 . . . . 0.0 116.429 -174.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -71.28 139.33 84.48 Favored Pre-proline 0 C--N 1.357 0.933 1 C-N-CA 135.195 5.398 . . . . 0.0 112.252 -175.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -83.75 148.93 60.01 Favored 'Cis proline' 0 C--N 1.366 1.46 0 CA-C-N 124.917 2.792 . . . . 0.0 113.548 1.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.534 ' HA ' HG23 ' A' ' 28' ' ' VAL 0.272 14.1 p90 -171.57 168.28 6.4 Favored 'General case' 0 CA--C 1.57 1.749 0 C-N-CA 125.081 1.353 . . . . 0.0 113.675 -176.77 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.0 t -135.36 131.55 51.72 Favored 'Isoleucine or valine' 0 C--N 1.397 2.661 0 CA-C-O 123.798 1.761 . . . . 0.0 114.714 -172.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.4 m -116.54 132.48 66.05 Favored 'Isoleucine or valine' 0 C--N 1.359 0.999 0 O-C-N 119.797 -1.814 . . . . 0.0 108.066 169.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.5 mt -92.92 134.09 31.97 Favored 'Isoleucine or valine' 0 C--N 1.364 1.2 0 C-N-CA 126.896 2.079 . . . . 0.0 108.205 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.24 -139.05 2.86 Favored Glycine 0 C--N 1.354 1.563 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -142.76 142.86 32.0 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 125.938 1.695 . . . . 0.0 110.646 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -130.86 170.8 13.93 Favored 'General case' 0 C--N 1.364 1.223 0 N-CA-C 102.973 -2.973 . . . . 0.0 102.973 171.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.2 t -114.62 164.76 13.58 Favored 'General case' 0 C--N 1.36 1.025 0 CA-C-N 121.53 1.968 . . . . 0.0 106.419 171.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.5 t -140.19 36.44 1.91 Allowed 'General case' 0 C--N 1.361 1.071 0 CA-C-N 119.097 0.862 . . . . 0.0 110.837 -177.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.36 80.4 p 102.47 133.43 0.01 OUTLIER Pre-proline 0 C--N 1.354 0.791 0 C-N-CA 130.306 3.442 . . . . 0.0 109.972 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -81.26 146.46 15.71 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 124.01 3.14 . . . . 0.0 112.648 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -135.88 150.31 49.31 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 105.068 -2.197 . . . . 0.0 105.068 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -122.28 135.94 54.82 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 124.878 1.271 . . . . 0.0 109.49 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.1 t -165.41 179.78 5.97 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -121.11 4.35 10.38 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 127.716 2.406 . . . . 0.0 110.59 177.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.5 p -99.28 36.19 1.78 Allowed 'General case' 0 C--N 1.359 0.983 0 C-N-CA 127.039 2.136 . . . . 0.0 112.067 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.3 p -119.67 21.04 12.19 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 125.308 1.443 . . . . 0.0 112.662 -173.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -108.01 93.07 4.34 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 125.169 1.388 . . . . 0.0 110.811 -177.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 169.28 -105.4 0.22 Allowed Glycine 0 C--N 1.351 1.384 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -136.28 118.3 15.34 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 124.971 1.308 . . . . 0.0 110.88 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -139.85 160.15 40.55 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 102.073 -3.306 . . . . 0.0 102.073 173.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.505 HG21 HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -137.37 122.12 24.2 Favored 'Isoleucine or valine' 0 C--N 1.359 1.021 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 -174.259 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.6 p -122.83 117.35 25.42 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 42.7 mtp -133.53 156.78 47.18 Favored 'General case' 0 C--N 1.365 1.273 0 CA-C-O 122.471 1.129 . . . . 0.0 112.322 -172.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -145.69 148.45 33.05 Favored 'General case' 0 C--N 1.36 1.055 0 CA-C-O 121.976 0.893 . . . . 0.0 109.709 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -115.74 135.7 53.78 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.696 -1.964 . . . . 0.0 105.696 171.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -113.42 119.39 37.45 Favored 'General case' 0 C--N 1.365 1.259 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 170.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.1 t -123.44 131.34 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.508 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -169.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -124.1 121.14 34.38 Favored 'General case' 0 C--N 1.363 1.192 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 172.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.96 -102.32 1.95 Allowed Glycine 0 C--N 1.367 2.251 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.64 75.93 1.23 Allowed Glycine 0 C--N 1.362 1.986 0 N-CA-C 116.032 1.173 . . . . 0.0 116.032 172.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 100.0 m -161.64 -74.08 0.06 Allowed 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 105.423 -2.065 . . . . 0.0 105.423 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 m -100.9 153.63 19.34 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 106.206 -1.776 . . . . 0.0 106.206 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.407 HH11 ' HA ' ' A' ' 116' ' ' THR . 83.2 mtm180 -66.53 -45.77 78.35 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 126.258 1.823 . . . . 0.0 113.772 178.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.24 -33.34 58.21 Favored 'General case' 0 C--N 1.365 1.249 1 C-N-CA 133.758 4.823 . . . . 0.0 114.171 175.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -56.62 -32.61 65.47 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 130.454 3.501 . . . . 0.0 113.915 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.69 -38.81 92.51 Favored 'General case' 0 C--N 1.37 1.494 0 C-N-CA 126.123 1.769 . . . . 0.0 113.882 173.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -74.55 -36.11 63.11 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 126.48 1.912 . . . . 0.0 111.097 171.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -66.9 -47.66 71.11 Favored 'General case' 0 C--N 1.369 1.453 0 N-CA-C 114.538 1.311 . . . . 0.0 114.538 172.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.263 1.8 pt -66.85 -40.93 86.95 Favored 'Isoleucine or valine' 0 C--N 1.372 1.572 0 C-N-CA 125.539 1.535 . . . . 0.0 114.877 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.74 -36.84 78.89 Favored 'General case' 0 C--N 1.379 1.859 0 C-N-CA 124.767 1.227 . . . . 0.0 112.19 174.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.5 m -68.2 -43.82 77.23 Favored 'General case' 0 C--N 1.378 1.843 0 C-N-CA 126.431 1.892 . . . . 0.0 112.77 173.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -59.56 -46.42 88.96 Favored 'General case' 0 C--N 1.373 1.615 0 C-N-CA 128.203 2.601 . . . . 0.0 113.568 171.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.37 0.4 OUTLIER -65.47 -48.86 81.38 Favored 'Isoleucine or valine' 0 C--N 1.378 1.821 0 C-N-CA 125.137 1.375 . . . . 0.0 114.176 176.876 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.429 ' HA ' ' HB2' ' A' ' 90' ' ' LEU 0.399 0.0 OUTLIER -71.93 -32.26 67.16 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-N 121.979 2.172 . . . . 0.0 114.664 174.499 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -63.95 -40.54 96.65 Favored 'General case' 0 C--N 1.385 2.147 0 C-N-CA 125.913 1.685 . . . . 0.0 111.899 174.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.486 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -61.56 -53.72 52.59 Favored 'General case' 0 C--N 1.375 1.693 0 C-N-CA 126.223 1.809 . . . . 0.0 111.593 168.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.429 ' HB2' ' HA ' ' A' ' 87' ' ' LEU . 5.4 mp -49.43 -26.04 3.0 Favored 'General case' 0 C--N 1.368 1.378 0 N-CA-C 118.163 2.653 . . . . 0.0 118.163 177.021 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.616 1.3 m -123.17 10.34 9.34 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 165.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.486 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 0.1 OUTLIER -67.59 -58.11 5.28 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 128.421 2.688 . . . . 0.0 108.296 173.722 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.379 10.0 ptpt -108.48 134.22 20.32 Favored Pre-proline 0 C--N 1.371 1.52 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 176.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.92 137.0 28.61 Favored 'Trans proline' 0 C--N 1.366 1.452 0 C-N-CA 124.651 3.567 . . . . 0.0 112.408 -172.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.47 107.23 3.74 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 124.827 1.251 . . . . 0.0 113.83 -175.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 29.3 ttp -144.65 150.78 37.96 Favored 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 124.936 1.295 . . . . 0.0 109.007 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -142.5 107.35 4.89 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 105.97 -1.863 . . . . 0.0 105.97 170.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . 0.393 15.9 pt-20 60.41 -67.68 0.04 OUTLIER 'General case' 0 C--N 1.347 0.482 1 C-N-CA 134.604 5.162 . . . . 0.0 117.418 173.672 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.32 22.39 2.4 Favored Glycine 0 CA--C 1.493 -1.331 0 N-CA-C 107.302 -2.319 . . . . 0.0 107.302 176.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -122.57 125.27 45.36 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 123.59 0.756 . . . . 0.0 109.954 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.4 m -123.37 120.81 34.13 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -119.23 138.59 52.88 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 128.878 2.871 . . . . 0.0 106.905 -178.166 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.2 t -106.14 130.67 57.39 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 C-N-CA 128.071 2.548 . . . . 0.0 108.704 -171.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.19 138.23 35.84 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 -176.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -126.57 130.19 50.04 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 127.632 2.373 . . . . 0.0 107.827 176.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -149.98 131.28 14.6 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 104.389 -2.449 . . . . 0.0 104.389 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 94.3 mt -110.96 -37.1 5.48 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 125.527 1.531 . . . . 0.0 109.036 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.51 175.05 2.6 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 -177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 pp -158.07 165.45 35.0 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 100.557 -3.868 . . . . 0.0 100.557 173.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.94 133.19 45.23 Favored 'General case' 0 C--N 1.367 1.339 0 CA-C-N 121.362 1.892 . . . . 0.0 115.484 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -89.24 75.48 7.78 Favored 'General case' 0 C--N 1.363 1.156 0 O-C-N 119.651 -1.906 . . . . 0.0 110.842 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.5 t -92.92 130.07 42.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 C-N-CA 126.345 1.858 . . . . 0.0 109.491 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 15.9 mt -130.03 137.97 55.18 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 N-CA-C 104.599 -2.371 . . . . 0.0 104.599 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 32.0 m -94.36 143.87 26.03 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 129.036 2.935 . . . . 0.0 111.798 -177.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -84.49 153.81 23.09 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 126.954 2.102 . . . . 0.0 113.093 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.407 ' HA ' HH11 ' A' ' 76' ' ' ARG . 0.6 OUTLIER -46.9 -26.36 0.97 Allowed 'General case' 0 C--N 1.362 1.122 1 C-N-CA 133.815 4.846 . . . . 0.0 119.441 -174.957 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -89.42 -21.72 22.89 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 125.79 1.636 . . . . 0.0 113.486 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.42 47.24 4.69 Favored Glycine 0 C--N 1.362 2.02 0 O-C-N 120.749 -1.22 . . . . 0.0 114.026 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 9.6 p -85.8 148.61 4.63 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 C-N-CA 126.319 1.847 . . . . 0.0 111.695 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.5 m -51.11 121.99 6.94 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 130.211 3.404 . . . . 0.0 115.601 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -125.17 141.93 51.8 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 120.806 -1.184 . . . . 0.0 112.286 -173.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -108.06 133.88 51.74 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 127.386 2.274 . . . . 0.0 109.665 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.38 148.13 18.82 Favored Glycine 0 C--N 1.357 1.742 0 C-N-CA 124.954 1.264 . . . . 0.0 109.966 173.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 17.0 tt -127.0 125.17 66.05 Favored 'Isoleucine or valine' 0 C--N 1.358 0.964 0 N-CA-C 105.272 -2.121 . . . . 0.0 105.272 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.0 mp -119.36 116.71 51.66 Favored 'Isoleucine or valine' 0 C--N 1.363 1.155 0 C-N-CA 125.542 1.537 . . . . 0.0 107.218 -177.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.54 128.18 54.71 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 124.966 1.306 . . . . 0.0 111.36 -177.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.35 136.32 51.2 Favored 'Isoleucine or valine' 0 C--N 1.359 1.01 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.86 139.59 50.06 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 126.736 2.014 . . . . 0.0 105.773 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -132.37 150.82 52.08 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 -175.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 86.8 m -137.73 143.98 41.47 Favored 'General case' 0 C--N 1.343 0.311 0 O-C-N 119.985 -1.697 . . . . 0.0 110.694 -174.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.0 tt -133.47 140.82 45.97 Favored 'Isoleucine or valine' 0 C--N 1.365 1.247 0 C-N-CA 126.151 1.78 . . . . 0.0 107.699 176.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -162.11 -60.94 0.05 OUTLIER 'General case' 0 C--N 1.36 1.053 0 N-CA-C 103.987 -2.597 . . . . 0.0 103.987 174.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 64.82 76.16 0.35 Allowed 'General case' 0 C--N 1.362 1.122 0 C-N-CA 130.175 3.39 . . . . 0.0 115.285 172.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -95.68 153.32 17.79 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 126.552 1.941 . . . . 0.0 113.723 -174.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 5.5 m -82.97 90.09 6.96 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 125.433 1.493 . . . . 0.0 110.415 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 1.697 0 C-N-CA 125.3 1.429 . . . . 0.0 110.791 -175.553 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 . . . . . 0 N--CA 1.438 -1.031 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -139.0 61.41 0.57 Allowed Glycine 0 CA--C 1.49 -1.479 0 N-CA-C 106.859 -2.496 . . . . 0.0 106.859 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 1.4 mt -81.62 75.79 8.55 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 125.974 1.709 . . . . 0.0 114.757 -173.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 60.56 -96.04 0.06 Allowed 'General case' 0 C--N 1.368 1.382 0 C-N-CA 129.829 3.252 . . . . 0.0 114.228 173.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 t -148.55 29.08 0.86 Allowed 'General case' 0 C--N 1.352 0.689 0 C-N-CA 126.343 1.857 . . . . 0.0 106.224 174.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -112.32 -75.36 0.61 Allowed 'General case' 0 C--N 1.361 1.07 0 C-N-CA 124.972 1.309 . . . . 0.0 110.608 -176.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -81.3 -11.32 59.37 Favored 'General case' 0 C--N 1.369 1.438 0 O-C-N 120.046 -1.659 . . . . 0.0 113.393 -177.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.5 tp -72.75 -23.66 60.86 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 128.692 2.797 . . . . 0.0 111.412 172.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.38 -36.11 82.63 Favored 'General case' 0 C--N 1.37 1.478 0 C-N-CA 126.417 1.887 . . . . 0.0 114.165 174.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.4 m -59.14 -47.44 85.28 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 127.01 2.124 . . . . 0.0 113.897 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.711 4.2 tpt180 -73.27 -37.52 66.25 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 128.802 2.841 . . . . 0.0 116.363 172.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.53 -23.06 48.23 Favored 'General case' 0 C--N 1.369 1.449 0 O-C-N 117.702 -3.124 . . . . 0.0 114.314 166.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.664 HD23 HG12 ' A' ' 64' ' ' ILE 0.361 0.1 OUTLIER -64.72 -29.59 70.58 Favored 'General case' 0 C--N 1.372 1.575 0 O-C-N 120.022 -1.673 . . . . 0.0 114.513 161.696 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.367 8.5 pt20 -64.37 -37.9 89.15 Favored 'General case' 0 C--N 1.387 2.221 0 CA-C-N 122.961 2.619 . . . . 0.0 110.398 169.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.542 0.0 OUTLIER -65.27 -30.74 71.64 Favored 'General case' 0 C--N 1.384 2.098 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 167.458 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.42 -32.63 73.64 Favored 'General case' 0 C--N 1.367 1.345 0 C-N-CA 125.652 1.581 . . . . 0.0 115.172 166.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.251 18.1 p -69.37 -45.85 68.36 Favored 'General case' 0 C--N 1.382 1.979 0 C-N-CA 124.673 1.189 . . . . 0.0 110.39 172.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.589 35.8 m -62.64 -30.21 48.74 Favored 'Isoleucine or valine' 0 C--N 1.38 1.902 0 O-C-N 120.29 -1.506 . . . . 0.0 113.678 173.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -70.06 -39.42 75.69 Favored 'General case' 0 C--N 1.378 1.836 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 166.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.439 ' HB3' ' HG2' ' A' ' 93' ' ' LYS 0.498 14.9 p30 -70.17 -33.76 72.14 Favored 'General case' 0 C--N 1.363 1.179 0 O-C-N 118.923 -2.36 . . . . 0.0 114.071 171.032 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.33 -40.79 94.15 Favored 'General case' 0 C--N 1.373 1.625 0 C-N-CA 126.714 2.006 . . . . 0.0 112.799 169.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.52 -23.34 29.82 Favored 'General case' 0 C--N 1.377 1.783 0 O-C-N 121.197 -0.939 . . . . 0.0 113.382 177.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.434 ' HB3' ' HE2' ' A' ' 92' ' ' TYR . 4.6 t -80.36 -29.35 37.93 Favored 'General case' 0 C--N 1.372 1.544 0 O-C-N 119.576 -1.953 . . . . 0.0 110.123 177.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -75.53 104.32 6.03 Favored 'General case' 0 C--N 1.368 1.4 0 CA-C-O 123.061 1.41 . . . . 0.0 114.734 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -39.64 -55.56 3.42 Favored Pre-proline 0 C--N 1.363 1.182 1 C-N-CA 132.031 4.132 . . . . 0.0 118.691 -171.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -65.34 -19.58 61.77 Favored 'Trans proline' 0 C--N 1.361 1.205 0 C-N-CA 124.739 3.626 . . . . 0.0 115.36 173.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.1 mt -75.18 -26.97 59.45 Favored 'General case' 0 C--N 1.379 1.85 0 CA-C-N 123.31 2.777 . . . . 0.0 113.356 175.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 41.4 mtp -63.24 -29.25 70.62 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 128.459 2.704 . . . . 0.0 114.736 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -94.42 -13.91 25.77 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 128.265 2.626 . . . . 0.0 112.29 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 45.0 tpp -102.16 -42.19 6.14 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.252 1.821 . . . . 0.0 115.181 -176.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.645 HG23 ' HA ' ' A' ' 43' ' ' TYR . 2.2 p -120.83 144.81 28.56 Favored 'Isoleucine or valine' 0 C--N 1.361 1.075 0 CA-C-O 124.461 2.077 . . . . 0.0 107.458 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -101.35 -27.74 13.0 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 129.646 3.178 . . . . 0.0 112.761 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.55 86.5 mm-40 -119.11 39.77 3.47 Favored 'General case' 0 N--CA 1.44 -0.944 1 C-N-CA 133.796 4.838 . . . . 0.0 113.553 -161.025 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.8 p -87.64 108.59 18.52 Favored 'Isoleucine or valine' 0 C--N 1.37 1.463 0 CA-C-O 124.789 2.233 . . . . 0.0 107.013 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.454 HG23 HG12 ' A' ' 45' ' ' VAL . 3.7 t -142.12 157.32 45.03 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 112.312 -2.222 . . . . 0.0 109.705 -165.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -87.46 17.42 4.53 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 116.981 2.215 . . . . 0.0 116.981 -173.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.401 3.5 t 158.22 -67.9 0.0 OUTLIER Pre-proline 0 C--N 1.368 1.398 0 C-N-CA 129.463 3.105 . . . . 0.0 112.492 174.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.406 ' O ' HG21 ' A' ' 32' ' ' THR . 83.7 Cg_endo -73.66 136.88 24.1 Favored 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 123.757 2.972 . . . . 0.0 114.896 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.7 55.02 0.15 Allowed Glycine 0 C--N 1.366 2.209 0 N-CA-C 104.866 -3.294 . . . . 0.0 104.866 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.716 ' HD2' ' H ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -84.77 -9.28 58.34 Favored 'General case' 0 C--O 1.225 -0.195 0 C-N-CA 130.152 3.381 . . . . 0.0 112.44 -178.689 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -99.81 15.36 27.2 Favored 'General case' 0 CA--C 1.542 0.643 1 C-N-CA 131.952 4.101 . . . . 0.0 109.85 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 1.4 p30 -45.34 96.82 0.12 Allowed Pre-proline 0 CA--C 1.548 0.901 2 N-CA-C 125.477 5.362 . . . . 0.0 125.477 178.443 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -83.15 116.77 2.44 Favored 'Trans proline' 0 CA--C 1.557 1.669 0 CA-C-N 125.245 2.909 . . . . 0.0 107.245 159.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -79.99 149.66 70.51 Favored Pre-proline 0 CA--C 1.563 1.452 0 CA-C-N 120.428 1.467 . . . . 0.0 114.793 -171.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -71.54 153.03 96.73 Favored 'Cis proline' 0 C--N 1.363 1.312 0 CA-C-N 122.499 1.928 . . . . 0.0 114.035 3.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.645 ' HA ' HG23 ' A' ' 28' ' ' VAL 0.279 1.5 p90 -154.63 167.1 31.28 Favored 'General case' 0 C--O 1.251 1.136 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 179.272 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.7 t -137.78 125.97 31.69 Favored 'Isoleucine or valine' 0 C--N 1.402 2.87 0 CA-C-O 123.044 1.402 . . . . 0.0 114.737 -174.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.454 HG12 HG23 ' A' ' 32' ' ' THR . 16.2 m -117.68 143.81 27.27 Favored 'Isoleucine or valine' 0 C--N 1.364 1.217 0 O-C-N 120.458 -1.401 . . . . 0.0 110.511 170.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.0 mm -92.19 140.13 16.72 Favored 'Isoleucine or valine' 0 C--N 1.363 1.153 0 C-N-CA 126.529 1.932 . . . . 0.0 107.51 172.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.61 -150.82 7.97 Favored Glycine 0 C--N 1.352 1.459 0 O-C-N 120.875 -1.14 . . . . 0.0 111.626 -175.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -146.05 147.72 31.92 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 104.342 -2.466 . . . . 0.0 104.342 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -97.69 140.58 31.88 Favored 'General case' 0 C--N 1.36 1.065 0 C-N-CA 124.293 1.037 . . . . 0.0 109.002 174.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.8 p -148.43 -124.7 0.05 Allowed 'General case' 0 C--N 1.357 0.903 0 O-C-N 121.182 -0.949 . . . . 0.0 111.979 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.8 m 166.9 -173.93 0.02 OUTLIER 'General case' 0 C--N 1.357 0.927 0 C-N-CA 130.39 3.476 . . . . 0.0 104.517 -177.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.18 -46.36 82.8 Favored Pre-proline 0 C--N 1.364 1.196 0 N-CA-C 121.466 3.876 . . . . 0.0 121.466 -177.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.59 114.23 3.65 Favored 'Trans proline' 0 C--N 1.363 1.334 0 C-N-CA 123.815 3.01 . . . . 0.0 111.415 177.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -103.29 135.56 44.7 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -175.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -163.42 170.0 18.09 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 104.191 -2.522 . . . . 0.0 104.191 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.7 t -160.51 167.41 27.26 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 104.542 -2.392 . . . . 0.0 104.542 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -105.82 61.73 0.66 Allowed 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.538 1.535 . . . . 0.0 110.807 -177.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 p -60.69 94.29 0.03 OUTLIER 'General case' 0 C--N 1.366 1.288 0 C-N-CA 129.059 2.944 . . . . 0.0 113.318 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.1 p -157.5 -123.39 0.02 OUTLIER 'General case' 0 C--N 1.352 0.7 0 CA-C-N 114.351 -1.295 . . . . 0.0 111.419 -168.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -152.88 170.49 20.22 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 128.069 2.548 . . . . 0.0 105.957 -176.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 169.16 -175.17 43.59 Favored Glycine 0 C--N 1.362 1.984 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -127.75 31.6 5.11 Favored 'General case' 0 C--N 1.362 1.135 0 CA-C-O 122.98 1.371 . . . . 0.0 107.777 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -126.41 165.1 19.68 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 123.343 1.544 . . . . 0.0 110.641 -174.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.664 HG12 HD23 ' A' ' 10' ' ' LEU . 3.5 mp -139.85 124.03 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.821 0 N-CA-C 102.324 -3.213 . . . . 0.0 102.324 -177.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.5 m -127.29 123.59 36.77 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 103.144 -2.91 . . . . 0.0 103.144 171.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 33.3 ttm -138.43 155.63 48.3 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 125.841 1.657 . . . . 0.0 108.987 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -133.27 156.58 47.31 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 172.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -124.2 140.01 53.38 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.474 1.91 . . . . 0.0 106.561 175.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.42 ' CD2' ' N ' ' A' ' 69' ' ' HIS . 9.7 m-70 -119.01 118.33 31.19 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 103.374 -2.824 . . . . 0.0 103.374 174.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.7 m -121.29 121.24 64.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 N-CA-C 105.098 -2.186 . . . . 0.0 105.098 -174.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.441 ' CH2' HG22 ' A' ' 45' ' ' VAL . 4.5 m-90 -116.09 124.15 49.67 Favored 'General case' 0 C--N 1.366 1.325 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 -178.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -81.81 -85.89 0.73 Allowed Glycine 0 C--N 1.364 2.139 0 C-N-CA 124.117 0.865 . . . . 0.0 114.285 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 143.04 -45.3 0.91 Allowed Glycine 0 C--N 1.354 1.539 0 O-C-N 120.732 -1.451 . . . . 0.0 112.874 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.5 p -99.14 -98.21 0.23 Allowed 'General case' 0 C--N 1.352 0.687 0 C-N-CA 125.457 1.503 . . . . 0.0 114.589 -173.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 m -113.52 158.78 20.3 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 127.209 2.203 . . . . 0.0 108.476 -174.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -52.5 -35.5 53.08 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 129.057 2.943 . . . . 0.0 116.904 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.62 -35.56 72.65 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 127.753 2.421 . . . . 0.0 114.378 173.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -71.34 -36.8 71.67 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 126.152 1.781 . . . . 0.0 112.435 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.24 -39.19 78.64 Favored 'General case' 0 C--N 1.371 1.535 0 C-N-CA 128.606 2.763 . . . . 0.0 114.481 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -70.25 -40.71 74.26 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 126.789 2.035 . . . . 0.0 110.673 172.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.53 -49.16 78.86 Favored 'General case' 0 C--N 1.384 2.072 0 C-N-CA 128.555 2.742 . . . . 0.0 113.275 173.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.301 9.4 pt -59.95 -38.14 75.25 Favored 'Isoleucine or valine' 0 C--N 1.374 1.654 0 O-C-N 120.384 -1.447 . . . . 0.0 113.87 169.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.9 p -61.21 -42.39 98.52 Favored 'General case' 0 C--N 1.38 1.893 0 CA-C-N 120.259 1.39 . . . . 0.0 113.83 170.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.0 t -62.67 -49.38 75.34 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 129.596 3.158 . . . . 0.0 112.141 174.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -69.99 -35.96 74.81 Favored 'General case' 0 C--N 1.372 1.55 0 C-N-CA 125.2 1.4 . . . . 0.0 114.652 174.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.302 0.3 OUTLIER -69.34 -42.2 81.15 Favored 'Isoleucine or valine' 0 C--N 1.379 1.859 0 C-N-CA 126.463 1.905 . . . . 0.0 113.528 176.519 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.4 mp -71.83 -42.75 66.62 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 127.493 2.317 . . . . 0.0 112.276 173.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -62.46 -34.13 76.2 Favored 'General case' 0 C--N 1.375 1.687 0 C-N-CA 125.305 1.442 . . . . 0.0 112.645 173.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.43 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -66.37 -48.94 68.57 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 126.579 1.952 . . . . 0.0 112.03 170.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 tp -45.53 -45.57 13.48 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 129.146 2.978 . . . . 0.0 116.457 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.376 0.2 OUTLIER -106.96 9.61 30.65 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 125.002 1.321 . . . . 0.0 113.969 172.877 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.434 ' HE2' ' HB3' ' A' ' 20' ' ' SER . 0.0 OUTLIER -73.33 -52.4 14.03 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 119.418 -2.051 . . . . 0.0 107.089 176.716 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.439 ' HG2' ' HB3' ' A' ' 17' ' ' ASN 0.315 2.1 ptpt -116.4 117.13 38.78 Favored Pre-proline 0 C--N 1.36 1.034 0 N-CA-C 103.419 -2.808 . . . . 0.0 103.419 173.855 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -68.52 151.13 75.62 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 124.466 3.444 . . . . 0.0 113.473 -167.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.475 ' HB3' HD13 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -68.33 106.46 2.49 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 125.292 1.437 . . . . 0.0 112.502 -175.588 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 19.7 ttm -144.41 143.01 30.71 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 125.865 1.666 . . . . 0.0 110.332 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -151.41 107.86 3.47 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 71.79 -88.21 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.673 0 C-N-CA 131.55 3.94 . . . . 0.0 115.619 168.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -122.0 24.0 7.18 Favored Glycine 0 C--N 1.353 1.481 0 N-CA-C 108.361 -1.896 . . . . 0.0 108.361 172.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -125.48 134.9 51.88 Favored 'General case' 0 C--N 1.361 1.094 0 O-C-N 121.849 -0.795 . . . . 0.0 111.515 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 58.8 m -126.4 125.74 42.68 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 103.133 -2.914 . . . . 0.0 103.133 174.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.552 ' CD1' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -122.43 137.81 54.74 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 -176.491 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.6 t -105.91 132.85 51.92 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.764 0 C-N-CA 125.713 1.605 . . . . 0.0 107.349 -171.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.6 135.54 35.56 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 124.471 1.108 . . . . 0.0 111.133 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -113.25 97.14 6.3 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 120.788 -1.195 . . . . 0.0 112.927 -171.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . 0.251 73.5 mmtt 73.02 -59.03 0.58 Allowed 'General case' 0 C--N 1.364 1.204 0 C-N-CA 127.663 2.385 . . . . 0.0 117.191 177.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . 0.275 9.1 tt 83.08 140.63 0.06 Allowed 'General case' 0 C--N 1.37 1.483 0 C-N-CA 128.608 2.763 . . . . 0.0 111.931 -176.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 24.0 t -116.36 116.42 52.21 Favored 'Isoleucine or valine' 0 C--N 1.364 1.204 0 O-C-N 120.269 -1.519 . . . . 0.0 107.762 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -149.17 112.59 4.99 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -133.27 90.74 2.77 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 104.322 -2.473 . . . . 0.0 104.322 173.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -89.02 66.87 7.97 Favored 'General case' 0 C--N 1.361 1.078 0 O-C-N 120.296 -1.503 . . . . 0.0 111.416 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 84.7 t -126.1 114.46 38.75 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 N-CA-C 102.951 -2.981 . . . . 0.0 102.951 175.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.7 tp -151.46 126.92 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.778 0 N-CA-C 105.077 -2.194 . . . . 0.0 105.077 -174.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 56.3 p -109.3 112.47 24.63 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 125.031 1.332 . . . . 0.0 112.738 -175.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -104.8 116.86 32.74 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 174.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . 0.274 3.9 t -73.45 -21.02 60.56 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 119.8 3.259 . . . . 0.0 119.8 -173.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -90.28 4.3 51.08 Favored 'General case' 0 C--N 1.357 0.921 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -172.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 85.93 11.5 73.35 Favored Glycine 0 C--N 1.361 1.962 0 O-C-N 120.215 -1.553 . . . . 0.0 114.334 -176.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.2 t -96.83 149.15 4.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 C-N-CA 129.703 3.201 . . . . 0.0 108.891 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.4 t -63.16 148.94 46.57 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 128.939 2.895 . . . . 0.0 114.335 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.16 141.7 28.24 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 125.261 1.425 . . . . 0.0 114.133 -178.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -93.57 129.95 39.64 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 127.804 2.442 . . . . 0.0 108.103 177.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -103.39 129.72 9.98 Favored Glycine 0 C--N 1.353 1.503 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -107.72 132.59 54.93 Favored 'Isoleucine or valine' 0 C--N 1.359 1.009 0 N-CA-C 105.688 -1.967 . . . . 0.0 105.688 178.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 28.4 mt -123.72 131.14 73.51 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 -177.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -116.69 126.07 52.64 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.64 136.07 59.07 Favored 'Isoleucine or valine' 0 C--N 1.365 1.252 0 CA-C-O 123.484 1.611 . . . . 0.0 112.306 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 91.3 mtm180 -115.98 132.88 56.52 Favored 'General case' 0 C--N 1.364 1.205 0 C-N-CA 126.797 2.039 . . . . 0.0 109.263 -177.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.464 ' HB2' HD13 ' A' ' 64' ' ' ILE . 0.6 OUTLIER -135.68 153.42 51.62 Favored 'General case' 0 C--N 1.359 1.003 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 18.9 m -140.9 139.21 34.32 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 124.24 1.016 . . . . 0.0 109.88 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.83 127.52 60.77 Favored 'Isoleucine or valine' 0 C--N 1.368 1.399 0 O-C-N 119.526 -1.984 . . . . 0.0 108.973 176.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -76.33 120.56 21.75 Favored 'General case' 0 C--N 1.362 1.121 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -178.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . 0.264 38.0 t-20 -158.41 65.68 0.44 Allowed 'General case' 0 C--N 1.351 0.65 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 170.23 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -114.42 29.1 8.26 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 127.012 2.125 . . . . 0.0 105.723 171.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 11.3 m -96.05 90.53 5.58 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 126.557 1.943 . . . . 0.0 108.294 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.565 0 C-N-CA 125.083 1.325 . . . . 0.0 111.235 -178.188 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 N--CA 1.435 -1.212 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -176.44 173.51 46.33 Favored Glycine 0 C--N 1.354 1.567 0 N-CA-C 106.819 -2.512 . . . . 0.0 106.819 173.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 59.4 mt 66.88 -48.03 0.47 Allowed 'General case' 0 C--N 1.37 1.49 0 N-CA-C 118.152 2.649 . . . . 0.0 118.152 175.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -74.69 137.17 41.96 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 128.814 2.846 . . . . 0.0 114.785 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.7 t -151.85 154.27 35.84 Favored 'General case' 0 C--N 1.347 0.484 1 N-CA-C 99.199 -4.371 . . . . 0.0 99.199 177.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 73.51 34.34 0.98 Allowed 'General case' 0 C--N 1.37 1.479 0 C-N-CA 125.512 1.525 . . . . 0.0 112.946 -174.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -82.57 146.12 29.35 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 128.15 2.58 . . . . 0.0 113.998 -176.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.515 ' H ' HD23 ' A' ' 5' ' ' LEU . 2.2 pt? -66.67 -26.01 66.84 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 129.348 3.059 . . . . 0.0 114.447 175.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.71 -37.39 82.2 Favored 'General case' 0 C--N 1.37 1.485 0 C-N-CA 126.636 1.974 . . . . 0.0 113.276 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.3 m -61.86 -46.37 89.72 Favored 'General case' 0 C--N 1.372 1.554 0 C-N-CA 126.666 1.986 . . . . 0.0 112.366 175.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.551 49.7 tpt85 -71.62 -37.37 70.91 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.534 1.533 . . . . 0.0 114.361 172.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.47 -23.06 5.5 Favored 'General case' 0 C--N 1.373 1.598 0 O-C-N 119.529 -1.982 . . . . 0.0 115.901 165.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -61.12 -37.08 81.52 Favored 'General case' 0 C--N 1.38 1.906 0 O-C-N 120.032 -1.667 . . . . 0.0 114.884 163.707 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.306 15.3 mt-30 -67.04 -36.86 83.02 Favored 'General case' 0 C--N 1.374 1.656 0 C-N-CA 127.08 2.152 . . . . 0.0 109.231 176.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -61.86 -33.29 73.91 Favored 'General case' 0 C--N 1.369 1.438 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 162.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.92 -36.22 69.89 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 126.777 2.031 . . . . 0.0 113.851 173.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.486 9.7 t -70.35 -32.72 70.54 Favored 'General case' 0 C--N 1.382 2.002 0 O-C-N 120.731 -1.23 . . . . 0.0 110.839 166.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.5 t -69.48 -32.49 53.17 Favored 'Isoleucine or valine' 0 C--N 1.371 1.527 0 O-C-N 118.344 -2.723 . . . . 0.0 114.002 168.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -70.81 -30.24 66.63 Favored 'General case' 0 C--N 1.365 1.266 0 O-C-N 119.894 -1.754 . . . . 0.0 115.548 172.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -69.82 -42.83 73.13 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 127.293 2.237 . . . . 0.0 112.126 170.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -31.22 71.92 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 126.329 1.852 . . . . 0.0 114.082 172.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.12 -22.6 33.31 Favored 'General case' 0 C--N 1.371 1.52 0 O-C-N 121.041 -1.037 . . . . 0.0 112.207 170.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.3 m -79.34 -31.6 43.08 Favored 'General case' 0 C--N 1.383 2.057 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -82.66 93.56 7.38 Favored 'General case' 0 C--N 1.366 1.323 0 CA-C-O 124.138 1.923 . . . . 0.0 114.45 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.357 16.7 pt20 -49.57 -37.8 26.3 Favored Pre-proline 0 C--N 1.36 1.056 0 C-N-CA 130.883 3.673 . . . . 0.0 119.052 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -60.84 -19.6 62.6 Favored 'Trans proline' 0 CA--C 1.547 1.133 0 C-N-CA 124.804 3.669 . . . . 0.0 115.454 168.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.7 -46.37 89.28 Favored 'General case' 0 C--N 1.387 2.239 0 CA-C-N 121.955 2.161 . . . . 0.0 113.102 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . 0.304 12.8 ptm -56.07 -27.43 53.47 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 128.611 2.764 . . . . 0.0 115.885 174.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -85.59 -22.17 28.15 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 125.999 1.72 . . . . 0.0 112.567 174.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.86 -40.62 8.43 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 126.735 2.014 . . . . 0.0 113.632 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.661 HG23 ' HA ' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -123.27 146.4 28.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 N-CA-C 102.141 -3.281 . . . . 0.0 102.141 176.849 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.303 8.0 t-20 -99.33 -21.88 15.83 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 127.023 2.129 . . . . 0.0 113.434 -175.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.496 6.2 mp0 -136.5 41.54 2.56 Favored 'General case' 0 CA--C 1.483 -1.598 1 C-N-CA 132.554 4.342 . . . . 0.0 112.101 -156.937 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.3 p -85.79 108.97 17.93 Favored 'Isoleucine or valine' 0 C--N 1.37 1.497 0 CA-C-O 125.48 2.562 . . . . 0.0 106.101 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.46 HG21 ' O ' ' A' ' 35' ' ' PRO . 8.8 t -146.75 167.14 24.58 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 111.649 -2.523 . . . . 0.0 110.588 -166.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -105.84 63.0 0.67 Allowed 'General case' 0 C--N 1.353 0.727 0 O-C-N 120.508 -1.37 . . . . 0.0 110.404 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.485 56.9 m 111.99 -73.25 0.0 OUTLIER Pre-proline 0 C--N 1.361 1.069 0 C-N-CA 128.726 2.81 . . . . 0.0 116.007 178.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.46 ' O ' HG21 ' A' ' 32' ' ' THR . 92.6 Cg_endo -72.89 137.51 27.01 Favored 'Trans proline' 0 C--N 1.363 1.306 0 CA-C-N 127.479 3.707 . . . . 0.0 112.382 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 145.4 -19.56 1.88 Allowed Glycine 0 C--N 1.364 2.137 0 CA-C-O 122.612 1.118 . . . . 0.0 110.384 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.257 0.0 OUTLIER -64.09 -14.23 53.19 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 119.559 3.17 . . . . 0.0 119.559 -178.601 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -93.33 16.65 12.8 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 128.505 2.722 . . . . 0.0 112.674 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -119.5 175.5 2.19 Favored Pre-proline 0 C--N 1.354 0.772 0 C-N-CA 127.254 2.222 . . . . 0.0 109.935 -175.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -70.09 154.2 66.67 Favored 'Trans proline' 0 C--N 1.371 1.726 0 C-N-CA 124.976 3.784 . . . . 0.0 115.626 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -93.57 146.13 31.23 Favored Pre-proline 0 C--N 1.352 0.702 0 C-N-CA 130.199 3.4 . . . . 0.0 110.276 -174.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -79.44 150.84 85.14 Favored 'Cis proline' 0 C--N 1.35 0.635 0 N-CA-C 116.733 1.782 . . . . 0.0 116.733 6.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.661 ' HA ' HG23 ' A' ' 28' ' ' VAL . 16.3 p90 -155.1 167.04 31.69 Favored 'General case' 0 C--N 1.37 1.467 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 175.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.8 t -137.41 130.03 42.65 Favored 'Isoleucine or valine' 0 C--N 1.388 2.251 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 -174.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.412 HG22 ' CH2' ' A' ' 71' ' ' TRP . 31.2 m -114.09 134.67 56.22 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 O-C-N 120.16 -1.588 . . . . 0.0 107.048 170.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.9 mt -104.91 128.31 58.75 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -176.28 -134.77 2.01 Favored Glycine 0 C--N 1.351 1.404 0 O-C-N 120.392 -1.442 . . . . 0.0 112.049 -170.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -140.39 148.48 41.31 Favored 'General case' 0 C--N 1.365 1.265 0 CA-C-O 122.356 1.074 . . . . 0.0 111.063 -176.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -101.57 155.59 17.99 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 127.764 2.426 . . . . 0.0 109.146 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.9 t -92.91 -166.2 1.49 Allowed 'General case' 0 C--N 1.366 1.309 0 O-C-N 119.821 -1.799 . . . . 0.0 111.876 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . 0.251 6.6 t 100.23 10.37 0.01 OUTLIER 'General case' 0 C--N 1.363 1.194 0 C-N-CA 129.484 3.114 . . . . 0.0 113.805 179.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.0 m -65.68 114.95 18.15 Favored Pre-proline 0 C--N 1.364 1.205 0 C-N-CA 128.66 2.784 . . . . 0.0 115.625 -177.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -75.87 160.55 37.19 Favored 'Trans proline' 0 C--N 1.359 1.129 1 C-N-CA 125.551 4.167 . . . . 0.0 113.611 177.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -110.78 138.76 46.77 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 125.917 1.687 . . . . 0.0 109.001 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 87.49 102.36 0.03 OUTLIER 'General case' 0 C--N 1.363 1.17 0 C-N-CA 128.268 2.627 . . . . 0.0 112.117 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.0 m -165.61 139.28 4.51 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 102.666 -3.087 . . . . 0.0 102.666 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -100.82 47.64 0.92 Allowed 'General case' 0 C--N 1.362 1.146 0 C-N-CA 125.295 1.438 . . . . 0.0 113.221 -175.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 t 179.3 -174.28 0.21 Allowed 'General case' 0 C--N 1.354 0.777 0 N-CA-C 104.305 -2.48 . . . . 0.0 104.305 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . 0.274 7.8 t 102.91 -14.88 0.02 OUTLIER 'General case' 0 C--N 1.36 1.022 0 C-N-CA 130.434 3.494 . . . . 0.0 115.871 174.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -98.05 59.54 1.41 Allowed 'General case' 0 C--N 1.351 0.663 0 C-N-CA 124.7 1.2 . . . . 0.0 113.014 -176.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 167.99 -175.44 42.81 Favored Glycine 0 C--N 1.362 1.988 0 C-N-CA 130.045 3.688 . . . . 0.0 104.099 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 75.72 -54.48 0.63 Allowed 'General case' 0 C--N 1.364 1.208 0 N-CA-C 117.414 2.375 . . . . 0.0 117.414 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -121.84 162.76 20.35 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 116.482 2.03 . . . . 0.0 116.482 -174.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 mp -121.42 127.27 75.66 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 1 C-N-CA 132.417 4.287 . . . . 0.0 101.494 176.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.2 m -127.06 132.05 50.78 Favored 'General case' 0 C--N 1.361 1.093 0 O-C-N 121.004 -1.06 . . . . 0.0 110.441 -177.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.14 157.26 46.26 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 126.102 1.761 . . . . 0.0 108.831 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -140.24 158.42 44.06 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 125.128 1.371 . . . . 0.0 109.302 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -130.94 130.71 43.8 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 125.263 1.425 . . . . 0.0 107.728 176.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -119.33 119.26 33.48 Favored 'General case' 0 C--N 1.36 1.058 0 N-CA-C 105.971 -1.862 . . . . 0.0 105.971 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.2 m -124.78 135.53 63.67 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 -172.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.412 ' CH2' HG22 ' A' ' 45' ' ' VAL . 1.1 m-90 -132.22 123.07 26.27 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 173.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -126.09 47.62 1.01 Allowed Glycine 0 C--N 1.369 2.414 0 C-N-CA 123.322 0.487 . . . . 0.0 112.88 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.75 57.29 0.35 Allowed Glycine 0 C--N 1.355 1.61 0 C-N-CA 128.963 3.173 . . . . 0.0 118.383 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.1 p -121.18 -70.81 0.76 Allowed 'General case' 0 C--N 1.352 0.717 0 C-N-CA 126.109 1.764 . . . . 0.0 109.419 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.7 m -131.59 144.6 51.19 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 103.353 -2.832 . . . . 0.0 103.353 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -52.17 -36.48 51.84 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 128.551 2.741 . . . . 0.0 115.782 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.97 -35.1 72.61 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 131.241 3.817 . . . . 0.0 113.671 174.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.19 -33.61 72.47 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 125.961 1.705 . . . . 0.0 113.901 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.92 -34.77 75.93 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 127.188 2.195 . . . . 0.0 114.246 174.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -77.22 -43.0 35.21 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 128.601 2.76 . . . . 0.0 110.691 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.9 -49.08 66.73 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 128.913 2.885 . . . . 0.0 113.633 174.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.4 pt -65.24 -38.45 82.66 Favored 'Isoleucine or valine' 0 C--N 1.382 1.982 0 CA-C-N 120.279 1.399 . . . . 0.0 113.282 174.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 62.4 m -60.91 -48.19 82.94 Favored 'General case' 0 C--N 1.385 2.149 0 C-N-CA 126.652 1.981 . . . . 0.0 111.518 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.5 m -60.24 -47.46 85.87 Favored 'General case' 0 C--N 1.37 1.471 0 C-N-CA 127.453 2.301 . . . . 0.0 113.976 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -67.08 -37.96 84.89 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 126.372 1.869 . . . . 0.0 115.861 176.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.315 9.6 p -70.35 -43.32 78.44 Favored 'Isoleucine or valine' 0 C--N 1.38 1.927 0 O-C-N 120.165 -1.585 . . . . 0.0 112.881 173.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.72 -40.45 95.1 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 128.498 2.719 . . . . 0.0 112.31 172.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -65.58 -39.51 91.72 Favored 'General case' 0 C--N 1.373 1.627 0 C-N-CA 126.561 1.944 . . . . 0.0 113.076 171.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.55 -53.72 50.53 Favored 'General case' 0 C--N 1.373 1.63 0 CA-C-N 120.587 1.539 . . . . 0.0 112.855 169.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.2 mt -55.17 -26.07 36.52 Favored 'General case' 0 C--N 1.369 1.438 0 N-CA-C 117.721 2.489 . . . . 0.0 117.721 177.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.403 ' O ' HG22 ' A' ' 91' ' ' THR 0.673 1.8 m -114.17 10.25 17.29 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 165.646 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -52.88 11.02 Favored 'General case' 0 C--N 1.36 1.063 0 O-C-N 119.204 -2.185 . . . . 0.0 108.765 170.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -119.5 129.77 25.2 Favored Pre-proline 0 C--N 1.359 1.001 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 175.337 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -79.92 129.66 8.13 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 123.979 3.119 . . . . 0.0 111.702 -176.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.36 107.98 4.58 Favored 'General case' 0 C--N 1.368 1.372 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 -177.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 33.5 ttp -143.14 162.14 36.35 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 102.432 -3.173 . . . . 0.0 102.432 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -141.48 107.8 5.26 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 124.549 1.14 . . . . 0.0 108.896 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 69.03 -76.04 0.06 Allowed 'General case' 0 C--N 1.348 0.525 1 C-N-CA 133.425 4.69 . . . . 0.0 115.229 172.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -146.62 22.65 1.67 Allowed Glycine 0 CA--C 1.492 -1.357 0 N-CA-C 106.388 -2.685 . . . . 0.0 106.388 174.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -121.37 124.55 44.8 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.7 m -115.0 142.45 46.62 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 122.319 1.057 . . . . 0.0 111.209 -173.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.557 ' CE1' ' HB2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -144.35 136.9 26.72 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 104.419 -2.438 . . . . 0.0 104.419 -179.424 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 76.8 t -106.89 135.32 45.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 C-N-CA 127.548 2.339 . . . . 0.0 109.549 -171.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.55 129.5 34.7 Favored 'General case' 0 C--N 1.368 1.381 0 C-N-CA 125.62 1.568 . . . . 0.0 110.682 177.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -95.68 122.92 38.97 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 124.22 1.008 . . . . 0.0 110.255 -176.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -167.76 -179.7 4.39 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 120.31 -1.493 . . . . 0.0 109.881 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.0 tp -151.84 -51.39 0.12 Allowed 'General case' 0 C--N 1.355 0.818 0 N-CA-C 103.478 -2.786 . . . . 0.0 103.478 176.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.7 m -122.38 156.85 27.31 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 N-CA-C 102.506 -3.146 . . . . 0.0 102.506 169.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -109.98 -52.09 2.81 Favored 'General case' 0 C--N 1.359 1.014 0 CA-C-N 119.662 1.119 . . . . 0.0 111.3 -176.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -149.36 171.56 16.33 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -106.8 139.37 41.33 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 125.595 1.558 . . . . 0.0 108.05 176.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.4 p -102.81 126.25 57.05 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 C-N-CA 126.439 1.896 . . . . 0.0 109.133 178.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.5 pt -142.63 127.07 15.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 C-N-CA 125.905 1.682 . . . . 0.0 106.491 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 5.7 t -118.36 142.31 47.66 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.164 1.785 . . . . 0.0 107.341 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -95.4 127.36 41.38 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 125.488 1.515 . . . . 0.0 110.601 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.5 p -71.96 -20.98 61.66 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 127.958 2.503 . . . . 0.0 113.678 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -86.68 -4.25 59.15 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 128.401 2.68 . . . . 0.0 114.208 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.64 -0.13 84.6 Favored Glycine 0 C--N 1.362 1.98 0 N-CA-C 118.823 2.289 . . . . 0.0 118.823 173.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 33.4 m -73.81 119.71 21.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 127.442 2.297 . . . . 0.0 115.243 -177.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.3 m -74.7 119.37 18.8 Favored 'General case' 0 C--N 1.369 1.455 0 O-C-N 119.078 -2.264 . . . . 0.0 115.323 -176.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -97.68 142.83 29.0 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 128.779 2.832 . . . . 0.0 111.536 178.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.11 150.26 22.21 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 129.629 3.172 . . . . 0.0 106.635 173.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -124.8 150.26 17.11 Favored Glycine 0 C--N 1.353 1.517 0 C-N-CA 123.603 0.621 . . . . 0.0 112.599 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -118.02 124.54 73.24 Favored 'Isoleucine or valine' 0 C--N 1.365 1.281 0 N-CA-C 101.903 -3.369 . . . . 0.0 101.903 171.259 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.3 mt -119.67 130.28 74.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -110.86 140.15 45.56 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 124.839 1.256 . . . . 0.0 107.854 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.7 p -140.06 135.27 37.34 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 CA-C-N 122.343 2.338 . . . . 0.0 110.601 175.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.32 139.11 53.98 Favored 'General case' 0 C--N 1.358 0.978 0 O-C-N 120.184 -1.572 . . . . 0.0 110.925 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -122.74 134.5 54.45 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 126.766 2.026 . . . . 0.0 105.706 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 3.6 m -123.55 143.36 50.24 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.941 0.896 . . . . 0.0 110.032 -173.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.4 pt -126.2 111.73 27.59 Favored 'Isoleucine or valine' 0 C--N 1.37 1.474 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . 0.254 9.7 t30 65.66 -72.7 0.07 Allowed 'General case' 0 C--N 1.366 1.305 0 C-N-CA 129.792 3.237 . . . . 0.0 118.577 170.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -167.24 -94.72 0.01 OUTLIER 'General case' 0 C--N 1.352 0.688 1 N-CA-C 98.947 -4.464 . . . . 0.0 98.947 179.386 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -173.58 -70.79 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 103.651 -2.722 . . . . 0.0 103.651 170.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 35.0 p -72.84 109.38 6.38 Favored 'General case' 0 C--N 1.363 1.196 0 C-N-CA 125.538 1.535 . . . . 0.0 111.572 175.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.681 0 C-N-CA 124.215 0.912 . . . . 0.0 111.168 -176.69 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 . . . . . 0 N--CA 1.442 -0.839 0 CA-C-O 121.083 0.468 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -110.79 43.51 1.7 Allowed Glycine 0 C--N 1.356 1.65 0 C-N-CA 125.796 1.665 . . . . 0.0 112.612 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 34.7 tp -153.46 153.16 31.95 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 126.977 2.111 . . . . 0.0 106.91 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -76.19 50.58 0.63 Allowed 'General case' 0 C--N 1.363 1.196 0 C-N-CA 128.708 2.803 . . . . 0.0 114.353 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.2 m -90.8 -24.83 20.2 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 128.27 2.628 . . . . 0.0 112.382 -176.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 66.33 -57.63 0.37 Allowed 'General case' 0 C--N 1.363 1.195 0 C-N-CA 128.194 2.598 . . . . 0.0 117.138 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -91.36 64.83 5.21 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 128.486 2.714 . . . . 0.0 110.446 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.8 mt -58.0 -23.38 53.79 Favored 'General case' 0 C--N 1.365 1.251 0 C-N-CA 130.651 3.58 . . . . 0.0 113.071 176.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.58 -33.27 66.02 Favored 'General case' 0 C--N 1.362 1.136 1 C-N-CA 133.076 4.551 . . . . 0.0 113.306 172.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.3 p -56.05 -47.26 78.23 Favored 'General case' 0 C--N 1.372 1.582 0 C-N-CA 127.112 2.165 . . . . 0.0 113.675 173.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.473 6.2 tpp180 -71.81 -36.8 70.38 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 131.081 3.753 . . . . 0.0 112.935 175.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.45 -23.14 36.72 Favored 'General case' 0 CA--C 1.561 1.398 0 O-C-N 119.476 -2.015 . . . . 0.0 114.583 165.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 102' ' ' PHE 0.286 0.1 OUTLIER -64.96 -29.25 70.17 Favored 'General case' 0 C--N 1.375 1.675 0 O-C-N 119.307 -2.121 . . . . 0.0 115.174 162.368 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.37 -37.83 83.78 Favored 'General case' 0 C--N 1.377 1.801 0 C-N-CA 127.022 2.129 . . . . 0.0 109.645 174.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -63.4 -34.04 76.86 Favored 'General case' 0 C--N 1.375 1.677 0 C-N-CA 125.603 1.561 . . . . 0.0 112.064 166.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.85 -34.9 78.83 Favored 'General case' 0 C--N 1.367 1.368 0 O-C-N 118.87 -2.394 . . . . 0.0 113.414 169.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.263 19.2 p -65.52 -38.56 90.04 Favored 'General case' 0 C--N 1.381 1.974 0 C-N-CA 124.593 1.157 . . . . 0.0 111.711 169.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -34.89 70.78 Favored 'Isoleucine or valine' 0 C--N 1.37 1.468 0 O-C-N 120.534 -1.354 . . . . 0.0 114.266 172.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.85 -35.58 72.49 Favored 'General case' 0 C--N 1.368 1.384 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 171.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.502 ' HB3' ' HG2' ' A' ' 93' ' ' LYS 0.534 23.1 p30 -70.28 -34.52 72.86 Favored 'General case' 0 C--N 1.365 1.277 0 O-C-N 119.844 -1.785 . . . . 0.0 112.634 170.078 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 mt -65.8 -31.31 72.2 Favored 'General case' 0 C--N 1.37 1.49 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 170.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -85.02 -30.16 24.38 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 125.271 1.428 . . . . 0.0 112.994 172.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.2 m -81.52 -21.28 38.69 Favored 'General case' 0 C--N 1.378 1.838 0 C-N-CA 125.343 1.457 . . . . 0.0 112.566 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -87.77 94.05 9.63 Favored 'General case' 0 C--N 1.36 1.049 0 CA-C-O 122.794 1.283 . . . . 0.0 110.806 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.326 11.0 pt20 -52.73 -38.1 54.34 Favored Pre-proline 0 C--N 1.359 1.018 0 N-CA-C 119.075 2.991 . . . . 0.0 119.075 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -63.66 -19.36 67.24 Favored 'Trans proline' 0 C--N 1.363 1.337 0 C-N-CA 124.969 3.779 . . . . 0.0 114.264 167.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.77 -15.74 59.66 Favored 'General case' 0 C--N 1.371 1.5 0 CA-C-N 121.14 1.791 . . . . 0.0 114.064 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 73.9 mtp -67.08 -28.52 68.25 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 129.07 2.948 . . . . 0.0 113.34 176.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -89.72 -15.58 32.22 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 128.278 2.631 . . . . 0.0 112.142 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -101.19 -41.23 6.81 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 128.037 2.535 . . . . 0.0 114.166 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 p -122.87 146.89 27.45 Favored 'Isoleucine or valine' 0 C--N 1.365 1.25 0 O-C-N 120.308 -1.495 . . . . 0.0 108.167 -177.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -101.5 -39.72 7.39 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-O 124.602 2.144 . . . . 0.0 113.5 177.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.437 ' HG3' ' HB3' ' A' ' 39' ' ' ASP 0.825 68.1 mm-40 -116.24 40.87 2.74 Favored 'General case' 0 CA--C 1.5 -0.979 1 C-N-CA 135.134 5.373 . . . . 0.0 118.257 -166.767 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -84.87 108.95 17.39 Favored 'Isoleucine or valine' 0 C--N 1.369 1.435 0 CA-C-O 124.574 2.131 . . . . 0.0 109.543 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.7 t -146.52 169.57 18.67 Favored 'General case' 0 C--N 1.365 1.272 0 CA-C-O 124.309 2.004 . . . . 0.0 113.82 -173.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -78.54 50.73 0.99 Allowed 'General case' 0 C--N 1.355 0.844 0 N-CA-C 117.72 2.489 . . . . 0.0 117.72 -176.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.653 60.6 p 113.72 -57.78 0.0 OUTLIER Pre-proline 0 N--CA 1.476 0.871 0 CA-C-O 113.505 -3.14 . . . . 0.0 119.32 173.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -73.7 163.93 36.05 Favored 'Trans proline' 0 CA--C 1.555 1.541 1 CA-C-N 128.761 4.165 . . . . 0.0 115.946 176.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.11 15.34 0.6 Allowed Glycine 0 C--N 1.366 2.219 0 N-CA-C 115.916 1.126 . . . . 0.0 115.916 171.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -28.57 46.69 Favored 'General case' 0 C--N 1.364 1.207 0 N-CA-C 118.18 2.659 . . . . 0.0 118.18 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -96.45 9.76 40.33 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 128.485 2.714 . . . . 0.0 112.733 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.437 ' HB3' ' HG3' ' A' ' 30' ' ' GLN . 80.6 m-20 -90.41 165.77 22.11 Favored Pre-proline 0 C--N 1.36 1.037 0 C-N-CA 124.793 1.237 . . . . 0.0 110.854 177.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -69.43 148.75 67.9 Favored 'Trans proline' 0 C--N 1.365 1.439 0 C-N-CA 124.413 3.409 . . . . 0.0 114.577 -177.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -95.54 132.88 26.65 Favored Pre-proline 0 C--N 1.356 0.867 0 C-N-CA 126.782 2.033 . . . . 0.0 108.189 -177.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -82.95 150.36 69.29 Favored 'Cis proline' 0 CA--C 1.552 1.419 0 CA-C-N 122.79 2.032 . . . . 0.0 116.333 2.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -159.65 166.72 30.04 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 124.937 1.295 . . . . 0.0 113.758 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.513 HG22 HG22 ' A' ' 70' ' ' VAL . 72.3 t -137.27 133.79 46.95 Favored 'Isoleucine or valine' 0 C--N 1.393 2.489 0 CA-C-O 123.854 1.788 . . . . 0.0 112.04 -175.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.2 m -122.47 132.33 71.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 119.951 -1.718 . . . . 0.0 109.309 171.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.4 mt -99.16 124.93 52.73 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 C-N-CA 126.652 1.981 . . . . 0.0 105.752 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.59 -126.66 0.83 Allowed Glycine 0 C--N 1.351 1.365 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -145.13 155.64 43.43 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 123.619 0.768 . . . . 0.0 110.259 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.23 158.8 16.35 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 126.568 1.947 . . . . 0.0 110.326 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.3 t -82.86 56.23 3.35 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 127.873 2.469 . . . . 0.0 112.076 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.9 m -162.88 47.47 0.15 Allowed 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.216 -1.552 . . . . 0.0 109.003 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.0 p -116.28 81.57 10.81 Favored Pre-proline 0 C--N 1.355 0.841 0 C-N-CA 125.939 1.696 . . . . 0.0 109.121 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -84.84 114.14 1.64 Allowed 'Trans proline' 0 C--N 1.364 1.354 0 C-N-CA 124.17 3.247 . . . . 0.0 113.282 -173.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -115.46 111.27 20.52 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 125.169 1.388 . . . . 0.0 109.928 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -103.16 20.1 18.31 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 125.616 1.566 . . . . 0.0 110.746 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.9 t -165.36 -177.47 4.51 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 104.488 -2.412 . . . . 0.0 104.488 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -100.47 -125.8 0.18 Allowed 'General case' 0 C--N 1.355 0.823 0 C-N-CA 125.751 1.62 . . . . 0.0 112.495 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.4 m -174.37 165.67 3.97 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.1 t -141.83 27.26 1.84 Allowed 'General case' 0 C--N 1.358 0.966 0 C-N-CA 123.995 0.918 . . . . 0.0 111.076 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -147.87 -66.31 0.25 Allowed 'General case' 0 C--N 1.364 1.206 0 CA-C-O 121.766 0.793 . . . . 0.0 111.556 -177.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.9 11.55 60.16 Favored Glycine 0 C--N 1.362 2.003 0 C-N-CA 126.084 1.802 . . . . 0.0 114.157 -175.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -81.07 7.17 11.55 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 128.921 2.888 . . . . 0.0 114.925 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.5 m120 -111.89 126.74 55.43 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 103.014 -2.958 . . . . 0.0 103.014 173.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.74 121.15 62.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 1 N-CA-C 99.935 -4.098 . . . . 0.0 99.935 -177.48 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 p -131.47 117.65 19.1 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 104.229 -2.508 . . . . 0.0 104.229 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.8 tpt -144.48 160.97 40.21 Favored 'General case' 0 C--N 1.36 1.046 0 CA-C-O 121.842 0.83 . . . . 0.0 109.799 -175.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -132.18 152.9 51.05 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 124.581 1.153 . . . . 0.0 109.311 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.311 2.4 p90 -128.79 139.23 52.28 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.91 1.284 . . . . 0.0 107.749 171.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -121.55 127.54 51.06 Favored 'General case' 0 CA--C 1.491 -1.321 0 C-N-CA 128.009 2.524 . . . . 0.0 106.575 -175.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.513 HG22 HG22 ' A' ' 44' ' ' VAL . 55.2 t -121.98 128.49 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 CA-C-N 113.916 -1.493 . . . . 0.0 107.834 -175.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -128.22 138.08 52.3 Favored 'General case' 0 C--N 1.369 1.418 0 C-N-CA 118.27 -1.372 . . . . 0.0 109.252 171.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -150.89 179.12 27.86 Favored Glycine 0 C--N 1.366 2.245 0 CA-C-O 122.324 0.958 . . . . 0.0 111.692 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -153.88 108.43 0.37 Allowed Glycine 0 C--N 1.354 1.549 0 N-CA-C 105.156 -3.178 . . . . 0.0 105.156 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.0 m -166.64 -85.88 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 103.214 -2.884 . . . . 0.0 103.214 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.6 p -144.55 170.12 16.66 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 125.999 1.72 . . . . 0.0 107.746 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -67.07 -35.33 79.59 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 127.786 2.434 . . . . 0.0 114.141 171.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.65 -35.89 73.1 Favored 'General case' 0 C--N 1.371 1.525 0 C-N-CA 127.724 2.41 . . . . 0.0 113.496 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -60.48 -36.91 79.43 Favored 'General case' 0 C--N 1.373 1.612 0 C-N-CA 126.716 2.006 . . . . 0.0 114.215 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.18 -33.58 73.68 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 126.111 1.764 . . . . 0.0 114.374 173.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -77.24 -39.49 48.21 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 127.548 2.339 . . . . 0.0 110.693 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -66.64 -45.21 79.75 Favored 'General case' 0 C--N 1.372 1.565 0 C-N-CA 127.005 2.122 . . . . 0.0 113.97 174.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.267 11.9 pt -66.39 -37.75 80.33 Favored 'Isoleucine or valine' 0 C--N 1.374 1.647 0 C-N-CA 126.176 1.79 . . . . 0.0 111.662 174.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.7 t -65.15 -42.33 93.86 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 126.882 2.073 . . . . 0.0 112.58 172.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.0 t -58.71 -41.39 86.2 Favored 'General case' 0 C--N 1.373 1.614 0 C-N-CA 129.07 2.948 . . . . 0.0 112.296 173.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -75.34 -38.83 59.96 Favored 'General case' 0 C--N 1.369 1.454 0 C-N-CA 126.143 1.777 . . . . 0.0 113.763 171.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.9 t -63.84 -49.5 81.63 Favored 'Isoleucine or valine' 0 C--N 1.381 1.965 0 CA-C-N 122.015 2.189 . . . . 0.0 112.327 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.2 mp -71.8 -32.05 67.21 Favored 'General case' 0 C--N 1.37 1.485 0 O-C-N 119.405 -2.059 . . . . 0.0 111.922 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -61.7 -34.27 75.49 Favored 'General case' 0 C--N 1.387 2.218 0 C-N-CA 124.938 1.295 . . . . 0.0 112.603 169.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.49 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -65.97 -50.39 64.47 Favored 'General case' 0 C--N 1.374 1.643 0 C-N-CA 125.772 1.629 . . . . 0.0 110.837 170.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.252 8.0 mp -50.88 -38.93 52.47 Favored 'General case' 0 C--N 1.377 1.787 0 N-CA-C 116.874 2.176 . . . . 0.0 116.874 178.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.306 0.2 OUTLIER -103.05 9.61 38.47 Favored 'General case' 0 C--N 1.368 1.403 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 169.711 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.49 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -77.84 -48.58 16.13 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 119.046 -2.284 . . . . 0.0 106.336 178.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.502 ' HG2' ' HB3' ' A' ' 17' ' ' ASN 0.377 0.5 OUTLIER -119.4 104.61 45.3 Favored Pre-proline 0 C--N 1.353 0.728 0 N-CA-C 105.032 -2.211 . . . . 0.0 105.032 172.296 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -57.34 154.18 36.45 Favored 'Trans proline' 0 C--N 1.386 2.519 1 C-N-CA 125.831 4.354 . . . . 0.0 117.501 -169.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.4 mt -82.43 106.64 14.47 Favored 'General case' 0 C--N 1.363 1.188 0 CA-C-O 125.598 2.618 . . . . 0.0 116.844 -168.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 25.1 ttt -144.58 149.1 35.23 Favored 'General case' 0 N--CA 1.426 -1.629 0 CA-C-N 111.342 -2.663 . . . . 0.0 107.558 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -134.02 109.92 9.3 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 104.176 -2.527 . . . . 0.0 104.176 170.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 64.42 -71.83 0.07 Allowed 'General case' 0 N--CA 1.442 -0.835 1 C-N-CA 132.936 4.494 . . . . 0.0 118.098 165.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -141.47 19.63 2.61 Favored Glycine 0 CA--C 1.492 -1.371 0 N-CA-C 106.888 -2.485 . . . . 0.0 106.888 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -123.24 124.88 44.0 Favored 'General case' 0 C--N 1.367 1.331 0 CA-C-N 117.718 0.759 . . . . 0.0 109.125 -177.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.0 m -121.64 123.45 41.94 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 -177.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -127.06 136.26 51.93 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 128.548 2.739 . . . . 0.0 105.36 -174.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.7 t -106.4 132.92 52.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 C-N-CA 127.345 2.258 . . . . 0.0 110.22 -171.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.93 138.86 36.12 Favored 'General case' 0 C--N 1.362 1.144 0 N-CA-C 117.055 2.243 . . . . 0.0 117.055 -174.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -128.1 140.98 51.63 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 129.113 2.965 . . . . 0.0 108.078 177.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -156.04 172.86 17.69 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 103.913 -2.625 . . . . 0.0 103.913 177.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.5 tp -92.06 -111.19 0.1 Allowed 'General case' 0 C--N 1.363 1.175 0 C-N-CA 125.052 1.341 . . . . 0.0 111.647 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.7 t -110.23 -71.84 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.115 0 O-C-N 120.674 -1.266 . . . . 0.0 108.68 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.7 tp -155.92 149.49 24.91 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -119.34 117.13 27.71 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -167.34 127.27 1.43 Allowed 'General case' 0 C--N 1.358 0.971 0 CA-C-O 121.65 0.738 . . . . 0.0 112.634 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.9 p -116.16 138.28 47.15 Favored 'Isoleucine or valine' 0 C--N 1.362 1.146 0 N-CA-C 104.382 -2.451 . . . . 0.0 104.382 173.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 30.0 pt -106.6 154.53 7.59 Favored 'Isoleucine or valine' 0 C--N 1.36 1.027 0 O-C-N 120.365 -1.459 . . . . 0.0 114.179 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.255 3.6 t -90.97 143.67 26.48 Favored 'General case' 0 C--N 1.37 1.497 0 C-N-CA 127.295 2.238 . . . . 0.0 110.202 173.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -97.99 170.62 8.81 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 125.432 1.493 . . . . 0.0 112.607 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -47.23 -20.67 0.2 Allowed 'General case' 0 C--N 1.355 0.837 1 C-N-CA 134.09 4.956 . . . . 0.0 118.679 -179.053 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -76.45 -16.64 59.63 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 128.122 2.569 . . . . 0.0 114.58 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.65 47.33 4.59 Favored Glycine 0 C--N 1.364 2.121 0 C-N-CA 124.833 1.206 . . . . 0.0 115.486 174.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 94.7 t -97.07 148.06 5.85 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 C-N-CA 125.812 1.645 . . . . 0.0 110.793 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.5 m -49.44 128.23 16.8 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 131.091 3.756 . . . . 0.0 113.243 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -93.47 115.72 28.24 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 124.641 1.176 . . . . 0.0 110.114 -168.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -120.19 138.32 53.69 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 126.371 1.869 . . . . 0.0 107.702 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.67 139.67 11.14 Favored Glycine 0 C--N 1.348 1.22 0 N-CA-C 107.244 -2.342 . . . . 0.0 107.244 170.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.07 128.02 75.93 Favored 'Isoleucine or valine' 0 C--N 1.362 1.114 0 N-CA-C 104.326 -2.472 . . . . 0.0 104.326 175.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 51.6 mt -121.39 128.1 75.84 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 125.616 1.566 . . . . 0.0 106.8 -177.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -110.06 139.59 45.02 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 124.182 0.993 . . . . 0.0 109.457 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.92 143.74 18.5 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 CA-C-O 123.6 1.667 . . . . 0.0 110.736 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -124.3 140.52 52.88 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 125.811 1.644 . . . . 0.0 107.415 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.08 148.05 49.73 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 104.552 -2.388 . . . . 0.0 104.552 178.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 81.3 m -135.97 143.15 44.69 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 119.723 -1.861 . . . . 0.0 109.585 -174.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.54 137.9 56.33 Favored 'Isoleucine or valine' 0 C--N 1.364 1.236 0 C-N-CA 126.689 1.995 . . . . 0.0 106.757 175.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -177.35 171.33 2.01 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 103.176 -2.898 . . . . 0.0 103.176 177.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . 0.53 0.0 OUTLIER 82.95 139.56 0.06 Allowed 'General case' 0 C--N 1.358 0.948 0 C-N-CA 131.298 3.839 . . . . 0.0 116.836 178.121 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 82.96 67.6 0.02 OUTLIER 'General case' 0 C--N 1.361 1.071 0 C-N-CA 127.531 2.332 . . . . 0.0 112.199 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 5.9 t -102.38 116.67 33.11 Favored 'General case' 0 C--N 1.365 1.239 0 O-C-N 120.72 -1.237 . . . . 0.0 108.318 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.501 0 N-CA-C 107.937 -2.065 . . . . 0.0 107.937 -178.053 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 . . . . . 0 N--CA 1.44 -0.939 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 152.76 133.6 1.93 Allowed Glycine 0 C--N 1.354 1.546 0 C-N-CA 125.329 1.443 . . . . 0.0 109.987 -176.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 51.0 tp -161.28 153.34 19.77 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 103.785 -2.672 . . . . 0.0 103.785 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 99.91 131.6 0.01 OUTLIER 'General case' 0 C--N 1.362 1.147 0 C-N-CA 130.029 3.332 . . . . 0.0 108.805 -174.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 t -139.33 39.98 2.08 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -117.38 148.18 41.99 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 126.762 2.025 . . . . 0.0 107.172 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.7 mttm 86.43 51.71 0.01 OUTLIER 'General case' 0 C--N 1.367 1.329 0 C-N-CA 128.014 2.526 . . . . 0.0 112.483 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.3 mt -57.15 -31.88 65.82 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 128.681 2.793 . . . . 0.0 116.882 -175.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.76 -32.93 73.22 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 127.024 2.13 . . . . 0.0 113.673 174.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.1 p -61.0 -48.03 83.7 Favored 'General case' 0 C--N 1.375 1.678 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.512 38.4 tpt85 -71.98 -36.23 69.74 Favored 'General case' 0 C--O 1.245 0.85 0 C-N-CA 131.053 3.741 . . . . 0.0 113.726 174.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.417 ' HA ' ' HG3' ' A' ' 12' ' ' LYS . . . -53.43 -27.0 22.26 Favored 'General case' 0 CA--C 1.559 1.311 0 O-C-N 119.943 -1.723 . . . . 0.0 115.171 165.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 102' ' ' PHE 0.273 0.2 OUTLIER -62.77 -29.6 70.83 Favored 'General case' 0 C--N 1.382 1.987 0 O-C-N 119.683 -1.886 . . . . 0.0 115.578 165.122 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.272 49.0 mt-30 -69.79 -37.76 76.44 Favored 'General case' 0 C--N 1.371 1.527 0 C-N-CA 126.183 1.793 . . . . 0.0 110.834 173.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.417 ' HG3' ' HA ' ' A' ' 9' ' ' ALA 0.424 0.0 OUTLIER -67.1 -30.59 70.65 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 165.984 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.33 -33.82 69.98 Favored 'General case' 0 C--N 1.366 1.304 0 O-C-N 119.414 -2.054 . . . . 0.0 113.708 171.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.5 m -70.12 -29.66 66.66 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 129.876 3.27 . . . . 0.0 110.507 171.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.86 -37.9 63.24 Favored 'Isoleucine or valine' 0 C--N 1.365 1.256 0 O-C-N 119.445 -2.034 . . . . 0.0 112.664 168.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -68.57 -29.66 68.25 Favored 'General case' 0 C--N 1.371 1.517 0 O-C-N 120.255 -1.528 . . . . 0.0 114.372 170.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -62.57 -49.81 73.82 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 127.712 2.405 . . . . 0.0 110.645 168.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -31.57 66.18 Favored 'General case' 0 C--N 1.38 1.918 0 C-N-CA 125.847 1.659 . . . . 0.0 112.125 173.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -66.08 -44.08 85.48 Favored 'General case' 0 C--N 1.371 1.524 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 167.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.479 ' HB2' ' CZ ' ' A' ' 92' ' ' TYR 0.388 0.7 OUTLIER -76.78 -16.98 59.31 Favored 'General case' 0 C--N 1.391 2.383 0 CA-C-N 123.439 2.836 . . . . 0.0 114.583 176.506 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.458 ' CD2' ' HB2' ' A' ' 89' ' ' ALA . 2.1 t80 -81.66 92.17 6.54 Favored 'General case' 0 C--N 1.367 1.358 0 CA-C-O 125.007 2.337 . . . . 0.0 116.347 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.337 10.9 pt20 -54.45 -43.4 97.78 Favored Pre-proline 0 C--N 1.36 1.061 0 C-N-CA 130.93 3.692 . . . . 0.0 116.247 175.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -62.73 -19.04 67.23 Favored 'Trans proline' 0 C--N 1.364 1.383 1 C-N-CA 125.328 4.019 . . . . 0.0 114.737 170.128 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tp -73.35 -29.04 62.39 Favored 'General case' 0 C--N 1.379 1.861 0 CA-C-N 121.852 2.115 . . . . 0.0 114.027 -178.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 58.8 mtt -60.03 -28.95 68.18 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 130.714 3.606 . . . . 0.0 114.118 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -94.07 -18.57 21.68 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 128.106 2.563 . . . . 0.0 112.889 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.8 mmt -102.79 -34.59 8.95 Favored 'General case' 0 C--N 1.361 1.103 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 p -123.25 146.67 28.24 Favored 'Isoleucine or valine' 0 C--N 1.364 1.227 0 O-C-N 120.062 -1.649 . . . . 0.0 107.666 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -101.05 -44.46 5.71 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 123.615 1.674 . . . . 0.0 112.442 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.412 ' HB2' ' HB2' ' A' ' 43' ' ' TYR 0.627 4.2 mp0 -109.02 40.79 1.74 Allowed 'General case' 0 CA--C 1.499 -0.995 1 C-N-CA 134.761 5.224 . . . . 0.0 115.456 -171.843 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.7 p -84.47 108.33 16.52 Favored 'Isoleucine or valine' 0 C--N 1.369 1.439 0 CA-C-N 124.331 3.242 . . . . 0.0 108.142 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.3 t -146.76 169.19 19.58 Favored 'General case' 0 C--N 1.361 1.077 0 CA-C-N 112.662 -2.063 . . . . 0.0 112.089 -168.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -95.87 9.61 39.99 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 -176.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.33 11.6 m -169.07 -70.0 0.0 OUTLIER Pre-proline 0 C--N 1.361 1.088 0 CA-C-O 115.37 -2.252 . . . . 0.0 113.789 175.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -72.94 164.2 36.24 Favored 'Trans proline' 0 C--N 1.362 1.25 0 C-N-CA 124.709 3.606 . . . . 0.0 115.473 -173.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 156.33 -25.73 0.53 Allowed Glycine 0 C--N 1.364 2.125 0 O-C-N 120.698 -1.251 . . . . 0.0 115.807 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.39 -31.39 6.11 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 119.31 3.078 . . . . 0.0 119.31 -174.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -106.28 15.38 26.24 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 127.674 2.39 . . . . 0.0 111.841 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -106.49 168.3 8.33 Favored Pre-proline 0 C--N 1.359 0.983 0 O-C-N 119.731 -1.855 . . . . 0.0 111.575 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -64.21 152.59 80.58 Favored 'Trans proline' 0 C--N 1.375 1.953 1 C-N-CA 125.56 4.173 . . . . 0.0 116.343 177.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -104.26 139.98 20.63 Favored Pre-proline 0 C--N 1.355 0.821 0 C-N-CA 127.261 2.224 . . . . 0.0 107.172 -177.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -80.51 149.0 77.69 Favored 'Cis proline' 0 CA--C 1.546 1.104 0 CA-C-N 123.883 2.422 . . . . 0.0 116.566 3.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.412 ' HB2' ' HB2' ' A' ' 30' ' ' GLN . 30.8 p90 -160.8 167.7 26.23 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 114.754 1.391 . . . . 0.0 114.754 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.461 HG22 HG22 ' A' ' 70' ' ' VAL . 72.6 t -136.64 135.31 48.9 Favored 'Isoleucine or valine' 0 C--N 1.401 2.811 0 CA-C-O 122.981 1.372 . . . . 0.0 114.632 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.416 HG22 ' CH2' ' A' ' 71' ' ' TRP . 25.5 m -113.62 143.02 24.19 Favored 'Isoleucine or valine' 0 C--N 1.364 1.196 0 O-C-N 120.068 -1.645 . . . . 0.0 109.034 165.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 21.8 mm -95.71 127.62 47.6 Favored 'Isoleucine or valine' 0 C--N 1.365 1.244 0 C-N-CA 127.914 2.486 . . . . 0.0 107.952 173.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -165.47 -133.99 1.59 Allowed Glycine 0 C--N 1.358 1.784 0 CA-C-N 118.948 0.795 . . . . 0.0 113.621 -177.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -145.0 152.76 40.65 Favored 'General case' 0 C--N 1.368 1.381 0 C-N-CA 126.054 1.742 . . . . 0.0 109.962 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -81.34 155.57 25.91 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 126.363 1.865 . . . . 0.0 113.109 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.9 m -73.68 61.99 0.77 Allowed 'General case' 0 C--N 1.364 1.207 0 C-N-CA 126.684 1.994 . . . . 0.0 115.775 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.1 m -83.55 103.56 12.98 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 128.788 2.835 . . . . 0.0 110.699 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.2 m -48.29 -51.16 52.36 Favored Pre-proline 0 C--N 1.365 1.259 0 C-N-CA 128.428 2.691 . . . . 0.0 118.106 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -76.19 114.81 3.98 Favored 'Trans proline' 0 C--N 1.364 1.354 0 C-N-CA 123.66 2.907 . . . . 0.0 112.105 174.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -115.38 129.2 56.51 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 126.253 1.821 . . . . 0.0 109.385 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . 0.273 1.2 tm-20 66.14 74.69 0.35 Allowed 'General case' 0 C--N 1.36 1.032 0 C-N-CA 128.614 2.765 . . . . 0.0 117.553 174.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.5 p -122.46 109.28 14.17 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 177.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . 0.33 74.5 mmtt 82.71 -127.68 0.01 OUTLIER 'General case' 0 C--N 1.365 1.244 0 C-N-CA 128.586 2.754 . . . . 0.0 115.842 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.7 t 171.17 -156.55 0.01 OUTLIER 'General case' 0 C--N 1.366 1.29 0 C-N-CA 129.166 2.986 . . . . 0.0 103.657 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.4 m 179.17 141.92 0.12 Allowed 'General case' 0 C--N 1.36 1.029 0 C-N-CA 126.889 2.076 . . . . 0.0 106.918 177.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -110.8 51.11 0.78 Allowed 'General case' 0 C--N 1.362 1.148 0 C-N-CA 125.241 1.416 . . . . 0.0 110.916 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -153.77 145.71 13.3 Favored Glycine 0 C--N 1.354 1.557 0 N-CA-C 104.315 -3.514 . . . . 0.0 104.315 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . 0.254 28.9 tt0 -87.21 121.63 29.92 Favored 'General case' 0 C--N 1.365 1.249 0 CA-C-O 124.888 2.28 . . . . 0.0 116.902 -172.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -128.97 163.45 25.31 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 128.17 2.588 . . . . 0.0 107.942 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -134.83 132.39 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 C-N-CA 129.997 3.319 . . . . 0.0 103.048 -178.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.4 t -131.43 119.72 22.03 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 100.897 -3.742 . . . . 0.0 100.897 172.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 20.9 ttt -134.67 133.18 39.78 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 126.289 1.836 . . . . 0.0 109.839 -173.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.12 146.51 45.89 Favored 'General case' 0 C--N 1.367 1.344 0 CA-C-O 123.252 1.501 . . . . 0.0 108.884 172.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.449 ' CZ ' HD11 ' A' ' 90' ' ' LEU . 7.8 m-85 -118.04 130.33 56.1 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 102.837 -3.023 . . . . 0.0 102.837 171.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.411 ' CE1' HD11 ' A' ' 124' ' ' ILE . 8.7 m-70 -118.57 119.52 34.74 Favored 'General case' 0 C--N 1.368 1.399 0 N-CA-C 106.09 -1.819 . . . . 0.0 106.09 175.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.461 HG22 HG22 ' A' ' 44' ' ' VAL . 46.9 t -118.79 134.8 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.879 0 CA-C-N 113.563 -1.653 . . . . 0.0 108.425 -169.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.416 ' CH2' HG22 ' A' ' 45' ' ' VAL . 1.7 m-90 -133.09 118.95 19.35 Favored 'General case' 0 C--N 1.366 1.301 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 171.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.79 74.91 0.41 Allowed Glycine 0 C--N 1.364 2.135 0 C-N-CA 126.742 2.115 . . . . 0.0 108.861 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -98.09 72.4 0.62 Allowed Glycine 0 C--N 1.354 1.572 0 C-N-CA 127.313 2.387 . . . . 0.0 111.216 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.4 p -135.84 -88.53 0.32 Allowed 'General case' 0 C--N 1.349 0.563 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.2 m -110.64 141.38 43.94 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 104.607 -2.368 . . . . 0.0 104.607 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -52.29 -39.85 61.03 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 127.984 2.513 . . . . 0.0 115.451 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.76 -35.59 81.08 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 129.347 3.059 . . . . 0.0 114.621 175.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -62.74 -33.75 75.79 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 127.106 2.163 . . . . 0.0 113.72 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.07 93.44 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 128.068 2.547 . . . . 0.0 115.103 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -77.32 -30.86 54.26 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.13 1.372 . . . . 0.0 111.984 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -66.38 -43.2 86.53 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 126.45 1.9 . . . . 0.0 112.67 173.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.7 pt -68.18 -38.31 79.46 Favored 'Isoleucine or valine' 0 C--N 1.375 1.678 0 CA-C-N 119.809 1.186 . . . . 0.0 113.73 173.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 t -63.67 -49.5 72.96 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 127.768 2.427 . . . . 0.0 112.212 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.6 m -64.44 -39.93 94.77 Favored 'General case' 0 C--N 1.37 1.462 0 C-N-CA 127.995 2.518 . . . . 0.0 113.118 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -43.33 86.41 Favored 'General case' 0 C--N 1.377 1.767 0 C-N-CA 126.193 1.797 . . . . 0.0 114.108 173.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.333 3.1 p -67.94 -38.45 80.02 Favored 'Isoleucine or valine' 0 C--N 1.374 1.65 0 CA-C-N 121.541 1.973 . . . . 0.0 113.384 176.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.52 -41.24 89.11 Favored 'General case' 0 CA--C 1.572 1.795 0 C-N-CA 127.743 2.417 . . . . 0.0 113.362 171.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -66.18 -33.43 75.76 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 127.394 2.278 . . . . 0.0 113.183 171.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 21' ' ' TYR . . . -62.75 -51.46 67.03 Favored 'General case' 0 C--N 1.369 1.428 0 C-N-CA 126.913 2.085 . . . . 0.0 112.099 171.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.449 HD11 ' CZ ' ' A' ' 68' ' ' PHE . 1.1 mp -45.46 -37.71 5.47 Favored 'General case' 0 C--N 1.378 1.834 0 C-N-CA 131.276 3.83 . . . . 0.0 113.897 172.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.391 0.2 OUTLIER -107.36 9.56 29.84 Favored 'General case' 0 C--N 1.365 1.246 0 N-CA-C 116.998 2.222 . . . . 0.0 116.998 167.132 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 20' ' ' SER 0.361 2.2 p90 -75.97 -46.96 26.95 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 117.661 -3.149 . . . . 0.0 105.936 177.722 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.288 11.6 ptpt -113.16 140.87 24.78 Favored Pre-proline 0 C--N 1.362 1.147 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 169.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -76.38 153.21 35.22 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.7 2.933 . . . . 0.0 110.52 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.4 mt -74.44 108.45 7.22 Favored 'General case' 0 C--N 1.36 1.046 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 24.7 ttt -144.41 141.78 29.89 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 125.897 1.679 . . . . 0.0 110.756 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -137.55 107.69 6.39 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.273 2.229 . . . . 0.0 105.92 175.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . 0.385 11.7 pt-20 61.5 -65.68 0.07 Allowed 'General case' 0 C--N 1.348 0.541 1 C-N-CA 134.847 5.259 . . . . 0.0 118.279 172.323 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -143.6 16.93 2.23 Favored Glycine 0 CA--C 1.491 -1.425 0 N-CA-C 106.822 -2.511 . . . . 0.0 106.822 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -121.28 124.66 45.15 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.2 m -117.09 128.81 55.51 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 104.629 -2.36 . . . . 0.0 104.629 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -111.62 132.42 54.58 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-O 122.494 1.14 . . . . 0.0 113.089 -171.055 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.7 t -107.22 128.85 61.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 C-N-CA 128.094 2.558 . . . . 0.0 110.849 -172.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.09 123.07 28.09 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 125.684 1.594 . . . . 0.0 113.532 -177.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -135.16 94.61 3.16 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 -175.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . 0.281 33.9 mmtp 84.15 145.46 0.07 Allowed 'General case' 0 C--N 1.358 0.94 0 C-N-CA 127.767 2.427 . . . . 0.0 115.763 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -148.71 160.07 43.53 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 124.587 1.155 . . . . 0.0 108.515 177.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.1 p -151.47 154.52 8.19 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 0 C-N-CA 126.575 1.95 . . . . 0.0 107.873 -175.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . 0.253 0.0 OUTLIER -153.25 99.96 2.41 Favored 'General case' 0 C--N 1.365 1.267 0 CA-C-O 122.803 1.287 . . . . 0.0 112.738 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -158.69 113.24 2.5 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 119.22 -2.175 . . . . 0.0 109.833 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -169.75 141.64 2.33 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 103.426 -2.805 . . . . 0.0 103.426 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.2 p -127.44 130.04 70.61 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 N-CA-C 105.385 -2.08 . . . . 0.0 105.385 175.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 23.4 mt -111.39 145.78 17.19 Favored 'Isoleucine or valine' 0 C--N 1.364 1.228 0 C-N-CA 124.491 1.116 . . . . 0.0 109.293 -175.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 3.7 m -70.74 141.83 51.46 Favored 'General case' 0 C--N 1.369 1.439 0 C-N-CA 130.842 3.657 . . . . 0.0 113.941 -176.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.35 118.88 37.69 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 126.352 1.861 . . . . 0.0 115.631 -175.056 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.9 p -73.39 -51.15 18.37 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 127.991 2.517 . . . . 0.0 114.619 174.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -90.98 1.51 57.0 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 129.184 2.993 . . . . 0.0 112.754 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.76 -3.99 85.91 Favored Glycine 0 C--N 1.358 1.781 0 C-N-CA 125.6 1.571 . . . . 0.0 115.397 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.8 p -127.91 102.07 8.15 Favored 'Isoleucine or valine' 0 C--N 1.355 0.806 0 CA-C-O 122.76 1.267 . . . . 0.0 111.098 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.1 t -92.89 121.56 34.37 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 126.861 2.064 . . . . 0.0 108.994 172.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -126.16 113.88 17.61 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 102.975 -2.972 . . . . 0.0 102.975 170.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -135.31 137.7 42.72 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 124.903 1.281 . . . . 0.0 110.709 -173.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -129.31 132.96 7.33 Favored Glycine 0 C--N 1.356 1.679 0 N-CA-C 107.843 -2.103 . . . . 0.0 107.843 172.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.411 HD11 ' CE1' ' A' ' 69' ' ' HIS . 0.4 OUTLIER -121.01 129.62 75.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 178.474 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 88.8 mt -118.94 114.24 44.11 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 N-CA-C 103.741 -2.689 . . . . 0.0 103.741 172.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -119.58 119.93 35.23 Favored 'General case' 0 C--N 1.363 1.183 0 N-CA-C 105.121 -2.178 . . . . 0.0 105.121 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.27 146.8 27.35 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 CA-C-O 122.589 1.185 . . . . 0.0 110.248 -176.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -116.63 139.25 50.73 Favored 'General case' 0 C--N 1.361 1.103 0 C-N-CA 127.054 2.142 . . . . 0.0 107.067 177.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -124.6 140.36 53.01 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 103.332 -2.84 . . . . 0.0 103.332 175.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 9.1 m -124.23 143.2 50.66 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 105.177 -2.157 . . . . 0.0 105.177 -177.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 15.1 pt -114.43 143.79 23.4 Favored 'Isoleucine or valine' 0 C--N 1.363 1.174 0 O-C-N 119.899 -1.751 . . . . 0.0 111.274 176.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -175.64 174.58 2.21 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 175.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -158.56 151.24 22.12 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.046 -2.205 . . . . 0.0 105.046 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -107.71 10.69 28.86 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.234 1.814 . . . . 0.0 112.697 -178.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 24.5 m -84.73 90.89 7.82 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 126.735 2.014 . . . . 0.0 110.647 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.611 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 -176.648 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 15.1 tm0? . . . . . 0 N--CA 1.435 -1.207 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 84.44 24.14 48.15 Favored Glycine 0 C--N 1.361 1.936 0 C-N-CA 126.092 1.806 . . . . 0.0 116.613 171.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 13.0 tp 76.05 -52.18 0.62 Allowed 'General case' 0 C--N 1.36 1.058 0 C-N-CA 129.073 2.949 . . . . 0.0 113.241 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 79.74 31.62 0.24 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 130.154 3.382 . . . . 0.0 113.525 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . 0.3 66.5 p 94.45 -119.47 0.0 OUTLIER 'General case' 0 C--N 1.363 1.162 0 C-N-CA 131.459 3.903 . . . . 0.0 107.695 -176.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -110.64 -5.47 15.04 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 126.911 2.085 . . . . 0.0 107.732 175.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt 69.73 -58.42 0.52 Allowed 'General case' 0 C--N 1.375 1.705 0 C-N-CA 130.008 3.323 . . . . 0.0 113.588 -178.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.4 mt -58.11 -23.25 54.23 Favored 'General case' 0 C--N 1.365 1.251 1 C-N-CA 135.769 5.628 . . . . 0.0 112.923 176.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.9 -34.3 67.78 Favored 'General case' 0 C--N 1.364 1.237 0 C-N-CA 129.273 3.029 . . . . 0.0 114.232 174.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.463 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.1 m -61.67 -46.69 88.66 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 127.843 2.457 . . . . 0.0 113.805 176.23 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.368 51.1 ttm-85 -73.47 -37.52 65.74 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 128.836 2.854 . . . . 0.0 114.541 167.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.07 -23.01 4.66 Favored 'General case' 0 CA--C 1.569 1.695 0 O-C-N 117.735 -3.103 . . . . 0.0 115.022 169.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.586 HD13 ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -55.82 -34.3 65.24 Favored 'General case' 0 C--N 1.374 1.654 0 N-CA-C 117.071 2.249 . . . . 0.0 117.071 161.58 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.586 ' N ' HD13 ' A' ' 10' ' ' LEU 0.423 1.2 pp0? -70.14 -37.57 75.31 Favored 'General case' 0 C--N 1.381 1.97 0 C-N-CA 128.323 2.649 . . . . 0.0 110.013 172.84 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -66.57 -30.92 71.33 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 166.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.89 -32.5 67.49 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 127.626 2.371 . . . . 0.0 111.897 172.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.6 m -69.78 -45.52 67.82 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 128.917 2.887 . . . . 0.0 110.677 172.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.26 -31.19 52.79 Favored 'Isoleucine or valine' 0 C--N 1.366 1.325 0 C-N-CA 125.898 1.679 . . . . 0.0 113.051 171.44 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -70.49 -37.14 74.18 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 124.893 1.277 . . . . 0.0 112.763 171.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.565 ' HB3' ' HG2' ' A' ' 93' ' ' LYS 0.353 23.6 p30 -63.87 -35.09 79.49 Favored 'General case' 0 C--N 1.377 1.796 0 CA-C-N 121.395 1.907 . . . . 0.0 114.222 168.174 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.459 HD21 ' CD1' ' A' ' 90' ' ' LEU . 9.2 mt -60.57 -42.76 97.31 Favored 'General case' 0 C--N 1.377 1.799 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 168.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -82.13 -21.88 36.45 Favored 'General case' 0 C--N 1.364 1.227 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 174.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.9 m -81.91 -25.45 34.95 Favored 'General case' 0 C--N 1.376 1.744 0 C-N-CA 125.903 1.681 . . . . 0.0 113.246 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -81.17 96.52 7.24 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 120.582 -1.324 . . . . 0.0 111.043 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.422 4.8 pt20 -40.87 -47.47 7.15 Favored Pre-proline 0 C--N 1.367 1.364 1 N-CA-C 121.964 4.061 . . . . 0.0 121.964 -173.989 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -65.78 -20.0 58.96 Favored 'Trans proline' 0 C--N 1.362 1.271 0 CA-C-N 127.886 3.852 . . . . 0.0 115.085 169.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tt -69.04 -41.84 77.14 Favored 'General case' 0 C--N 1.374 1.663 0 CA-C-N 121.564 1.984 . . . . 0.0 112.241 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 57.3 mmm -59.82 -27.73 66.86 Favored 'General case' 0 C--N 1.362 1.145 1 C-N-CA 132.125 4.17 . . . . 0.0 114.814 171.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -84.54 -39.19 19.1 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 128.01 2.524 . . . . 0.0 112.071 176.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 24.2 mmt -78.46 -41.09 33.67 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 125.89 1.676 . . . . 0.0 113.828 177.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.2 m -124.36 143.27 38.34 Favored 'Isoleucine or valine' 0 C--N 1.369 1.436 0 N-CA-C 101.968 -3.345 . . . . 0.0 101.968 167.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -102.25 -17.3 15.99 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 125.969 2.795 . . . . 0.0 110.748 176.117 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.397 48.4 mm-40 -98.37 39.36 1.25 Allowed 'General case' 0 N--CA 1.422 -1.861 1 C-N-CA 137.598 6.359 . . . . 0.0 115.198 -167.663 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.94 108.5 18.08 Favored 'Isoleucine or valine' 0 C--N 1.377 1.765 0 N-CA-C 104.745 -2.317 . . . . 0.0 104.745 175.011 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.7 t -131.55 145.39 51.7 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 113.977 -1.465 . . . . 0.0 113.636 -172.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -94.46 -7.44 41.38 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 124.967 1.307 . . . . 0.0 114.016 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.292 15.5 m -166.89 -74.14 0.0 OUTLIER Pre-proline 0 C--N 1.356 0.866 0 CA-C-O 115.308 -2.282 . . . . 0.0 111.019 177.195 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -72.92 137.4 26.73 Favored 'Trans proline' 0 C--N 1.367 1.545 0 C-N-CA 124.052 3.168 . . . . 0.0 113.051 -177.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.89 32.2 2.71 Favored Glycine 0 C--N 1.352 1.447 0 O-C-N 120.159 -1.588 . . . . 0.0 112.14 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.457 ' HA ' HG11 ' A' ' 45' ' ' VAL 0.422 0.0 OUTLIER -85.35 -16.94 38.26 Favored 'General case' 0 C--N 1.361 1.098 0 O-C-N 120.077 -1.837 . . . . 0.0 113.903 175.686 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -105.16 15.79 26.89 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 128.487 2.715 . . . . 0.0 114.105 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.68 154.57 58.9 Favored Pre-proline 0 C--N 1.367 1.332 0 C-N-CA 126.036 1.735 . . . . 0.0 110.366 176.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -75.81 152.79 37.46 Favored 'Trans proline' 0 CA--C 1.546 1.124 0 C-N-CA 124.201 3.267 . . . . 0.0 115.992 -171.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -71.49 138.78 83.67 Favored Pre-proline 0 C--N 1.364 1.22 0 C-N-CA 130.352 3.461 . . . . 0.0 115.709 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.1 148.09 84.38 Favored 'Cis proline' 0 CA--C 1.543 0.927 0 CA-C-N 122.134 1.798 . . . . 0.0 115.218 2.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -167.63 167.55 13.33 Favored 'General case' 0 CA--C 1.561 1.382 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 177.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.2 t -132.07 121.89 47.59 Favored 'Isoleucine or valine' 0 C--N 1.393 2.469 0 CA-C-O 123.517 1.627 . . . . 0.0 113.743 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.457 HG11 ' HA ' ' A' ' 37' ' ' LYS . 19.0 m -113.0 145.56 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 120.303 -1.498 . . . . 0.0 109.649 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.4 mp -95.24 137.02 24.51 Favored 'Isoleucine or valine' 0 C--N 1.368 1.398 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 173.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -154.2 -149.93 5.36 Favored Glycine 0 C--N 1.351 1.4 0 N-CA-C 105.935 -2.866 . . . . 0.0 105.935 175.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -146.53 160.79 41.68 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.865 -1.373 . . . . 0.0 108.763 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -125.95 152.83 45.14 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 127.628 2.371 . . . . 0.0 105.47 178.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.3 t -94.9 -170.18 2.16 Favored 'General case' 0 C--N 1.363 1.158 0 O-C-N 120.951 -1.093 . . . . 0.0 110.811 174.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.5 t 114.12 -12.12 0.01 OUTLIER 'General case' 0 C--N 1.359 0.997 0 C-N-CA 130.14 3.376 . . . . 0.0 109.269 -177.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.6 p -113.73 -52.56 0.05 OUTLIER Pre-proline 0 C--N 1.356 0.872 0 C-N-CA 128.367 2.667 . . . . 0.0 113.556 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -78.32 143.9 20.09 Favored 'Trans proline' 0 C--N 1.367 1.535 0 CA-C-N 128.141 3.943 . . . . 0.0 114.377 -175.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -132.53 150.5 52.15 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 104.991 -2.225 . . . . 0.0 104.991 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -82.05 55.4 2.79 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 125.691 1.596 . . . . 0.0 114.066 -177.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.6 t -165.51 158.38 15.72 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 104.299 -2.482 . . . . 0.0 104.299 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 73.08 103.09 0.07 Allowed 'General case' 0 C--N 1.359 0.995 0 C-N-CA 128.785 2.834 . . . . 0.0 115.392 177.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.2 m -58.65 61.48 0.0 OUTLIER 'General case' 0 C--N 1.373 1.592 0 C-N-CA 129.757 3.223 . . . . 0.0 115.928 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.8 m -74.84 57.69 0.79 Allowed 'General case' 0 C--N 1.352 0.692 0 C-N-CA 129.487 3.115 . . . . 0.0 114.319 -174.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -85.18 47.74 1.46 Allowed 'General case' 0 C--N 1.36 1.048 0 C-N-CA 125.724 1.61 . . . . 0.0 112.504 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 164.44 174.47 34.25 Favored Glycine 0 C--N 1.354 1.556 0 N-CA-C 106.913 -2.475 . . . . 0.0 106.913 -176.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . 0.275 15.8 tp10 84.31 -52.82 0.12 Allowed 'General case' 0 C--N 1.366 1.313 0 C-N-CA 129.834 3.254 . . . . 0.0 116.607 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -128.53 139.41 52.32 Favored 'General case' 0 C--N 1.359 1.017 0 CA-C-O 122.914 1.34 . . . . 0.0 112.638 -175.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.512 HG21 ' CD1' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -108.7 132.8 55.68 Favored 'Isoleucine or valine' 0 C--N 1.365 1.251 0 C-N-CA 130.198 3.399 . . . . 0.0 102.264 172.302 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 93.2 m -132.46 128.38 37.33 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 119.239 -2.163 . . . . 0.0 109.267 174.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -154.53 161.11 41.81 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 124.45 1.1 . . . . 0.0 109.374 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.65 163.47 28.86 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-O 123.26 1.505 . . . . 0.0 109.931 174.223 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -129.18 138.1 51.54 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 101.801 -3.407 . . . . 0.0 101.801 166.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -112.27 118.56 35.61 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 100.298 -3.964 . . . . 0.0 100.298 -178.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.4 t -121.31 111.13 30.08 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 N-CA-C 103.806 -2.664 . . . . 0.0 103.806 -165.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . 0.28 0.0 OUTLIER -130.87 138.18 49.7 Favored 'General case' 0 C--N 1.373 1.598 0 C-N-CA 115.566 -2.454 . . . . 0.0 112.484 -176.27 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.05 76.79 0.37 Allowed Glycine 0 C--N 1.371 2.495 0 C-N-CA 123.507 0.575 . . . . 0.0 112.664 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.97 95.56 2.01 Favored Glycine 0 C--N 1.362 1.978 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.0 m -177.98 -54.52 0.01 OUTLIER 'General case' 0 C--N 1.351 0.648 0 N-CA-C 103.934 -2.617 . . . . 0.0 103.934 -175.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.1 m -163.43 154.95 17.07 Favored 'General case' 0 C--N 1.361 1.082 0 N-CA-C 104.459 -2.423 . . . . 0.0 104.459 173.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -53.99 -35.11 61.5 Favored 'General case' 0 C--N 1.373 1.608 0 C-N-CA 129.289 3.036 . . . . 0.0 116.356 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.74 -35.97 64.3 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 129.028 2.931 . . . . 0.0 114.424 174.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -70.06 -39.27 75.77 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 124.555 1.142 . . . . 0.0 111.812 174.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.435 ' HA ' HG12 ' A' ' 82' ' ' ILE . . . -69.49 -42.51 74.68 Favored 'General case' 0 C--N 1.367 1.354 0 N-CA-C 116.627 2.084 . . . . 0.0 116.627 176.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -67.61 -39.65 84.72 Favored 'General case' 0 C--N 1.373 1.608 0 C-N-CA 126.643 1.977 . . . . 0.0 110.757 175.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -67.6 -51.94 44.4 Favored 'General case' 0 C--N 1.377 1.786 0 C-N-CA 124.567 1.147 . . . . 0.0 114.002 172.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.435 HG12 ' HA ' ' A' ' 79' ' ' ALA 0.279 9.9 pt -60.5 -38.06 76.88 Favored 'Isoleucine or valine' 0 C--N 1.384 2.092 0 C-N-CA 125.967 1.707 . . . . 0.0 114.25 177.765 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.9 m -63.58 -40.75 97.76 Favored 'General case' 0 C--N 1.371 1.509 0 C-N-CA 125.562 1.545 . . . . 0.0 112.581 174.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 91.3 p -68.6 -42.26 78.42 Favored 'General case' 0 C--N 1.379 1.849 0 C-N-CA 127.741 2.416 . . . . 0.0 112.989 175.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -66.59 -35.17 79.55 Favored 'General case' 0 C--N 1.376 1.76 0 C-N-CA 125.479 1.512 . . . . 0.0 112.86 174.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.9 t -69.26 -50.21 54.36 Favored 'Isoleucine or valine' 0 C--N 1.379 1.86 0 C-N-CA 126.733 2.013 . . . . 0.0 113.317 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.509 0.0 OUTLIER -69.04 -35.73 76.92 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-N 123.838 3.017 . . . . 0.0 114.88 176.61 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -57.57 -47.96 80.66 Favored 'General case' 0 C--N 1.381 1.976 0 C-N-CA 126.929 2.091 . . . . 0.0 112.728 171.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.66 -50.23 74.62 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 129.0 2.92 . . . . 0.0 114.239 170.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.459 ' CD1' HD21 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -47.2 -41.51 18.3 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 129.925 3.29 . . . . 0.0 114.278 177.418 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.629 0.2 OUTLIER -108.51 10.54 27.22 Favored 'General case' 0 C--N 1.373 1.6 0 N-CA-C 116.828 2.159 . . . . 0.0 116.828 165.617 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -43.51 41.33 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 118.108 -2.87 . . . . 0.0 109.871 177.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.565 ' HG2' ' HB3' ' A' ' 17' ' ' ASN . 3.6 tttp -122.62 94.08 47.9 Favored Pre-proline 0 C--N 1.35 0.61 0 N-CA-C 104.046 -2.575 . . . . 0.0 104.046 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -63.23 148.96 92.6 Favored 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 124.791 3.661 . . . . 0.0 115.845 -170.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.98 106.54 6.53 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 123.737 1.732 . . . . 0.0 115.274 -172.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 52.5 ttm -144.19 131.79 21.14 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 128.381 2.672 . . . . 0.0 107.807 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -135.41 120.42 18.7 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 104.363 -2.458 . . . . 0.0 104.363 173.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . 0.382 10.8 pt-20 66.67 25.86 9.76 Favored 'General case' 0 C--N 1.356 0.876 1 C-N-CA 132.742 4.417 . . . . 0.0 115.633 176.396 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.24 -1.83 70.49 Favored Glycine 0 C--N 1.357 1.728 0 C-N-CA 126.769 2.128 . . . . 0.0 112.689 -175.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -102.71 125.33 49.41 Favored 'General case' 0 C--N 1.359 0.981 0 O-C-N 121.497 -1.002 . . . . 0.0 109.51 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.77 142.87 29.76 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 127.469 2.308 . . . . 0.0 113.445 -175.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 7' ' ' SER 0.321 0.0 OUTLIER -128.69 144.09 51.08 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 124.524 1.13 . . . . 0.0 108.503 -179.609 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.9 t -106.39 121.48 59.0 Favored 'Isoleucine or valine' 0 C--N 1.349 0.56 0 C-N-CA 126.22 1.808 . . . . 0.0 108.258 -169.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.23 137.58 33.41 Favored 'General case' 0 C--N 1.368 1.394 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -93.27 97.89 10.91 Favored 'General case' 0 C--N 1.366 1.313 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 -177.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt 69.18 -125.38 0.12 Allowed 'General case' 0 C--N 1.362 1.142 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 172.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.2 mt -152.36 176.64 11.42 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 128.088 2.555 . . . . 0.0 105.743 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.1 47.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.004 0 C-N-CA 128.533 2.733 . . . . 0.0 117.008 -175.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . 0.367 0.6 OUTLIER 42.67 -115.41 0.34 Allowed 'General case' 0 C--N 1.367 1.36 0 C-N-CA 128.849 2.86 . . . . 0.0 118.579 -179.782 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -113.37 18.82 17.49 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 125.127 1.371 . . . . 0.0 111.852 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -82.76 11.12 6.3 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.869 2.067 . . . . 0.0 115.04 -176.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 54.3 t -117.46 116.02 50.54 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 C-N-CA 126.946 2.098 . . . . 0.0 105.351 174.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.7 mp -136.7 155.01 32.9 Favored 'Isoleucine or valine' 0 C--N 1.36 1.027 0 N-CA-C 102.899 -3.0 . . . . 0.0 102.899 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 24.0 m -109.17 141.89 40.75 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 127.106 2.162 . . . . 0.0 109.186 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -98.61 124.2 43.25 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 125.282 1.433 . . . . 0.0 109.647 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.1 p -71.63 -21.27 61.85 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 127.453 2.301 . . . . 0.0 115.381 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -90.39 -7.87 52.1 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 126.368 1.867 . . . . 0.0 113.541 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.52 1.99 82.82 Favored Glycine 0 C--N 1.367 2.26 0 O-C-N 120.581 -1.324 . . . . 0.0 115.122 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 25.3 m -65.04 151.68 9.61 Favored 'Isoleucine or valine' 0 C--N 1.362 1.12 0 C-N-CA 130.231 3.413 . . . . 0.0 115.587 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.1 t -47.95 142.23 5.17 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 127.333 2.253 . . . . 0.0 116.465 -177.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 44.4 tttp -126.28 140.46 52.51 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 105.398 -2.075 . . . . 0.0 105.398 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -134.51 127.63 31.77 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.57 144.22 15.82 Favored Glycine 0 C--N 1.351 1.403 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 11.6 tt -115.27 116.1 51.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 103.921 -2.622 . . . . 0.0 103.921 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 31.7 mt -106.1 115.73 48.38 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 -177.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -102.82 131.38 49.73 Favored 'General case' 0 C--N 1.363 1.185 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 175.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . 0.252 14.0 t -118.72 132.31 68.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 172.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -116.05 123.66 48.49 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 102.895 -3.002 . . . . 0.0 102.895 176.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.71 133.45 52.12 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 126.119 1.767 . . . . 0.0 106.745 -172.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 89.7 m -131.35 143.16 50.29 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.853 -1.154 . . . . 0.0 109.744 -171.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.64 115.14 43.59 Favored 'Isoleucine or valine' 0 C--N 1.364 1.212 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 176.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -89.28 -39.49 13.45 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 125.753 1.621 . . . . 0.0 110.773 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . 0.284 79.5 m-20 81.31 66.39 0.02 OUTLIER 'General case' 0 C--N 1.356 0.866 0 C-N-CA 129.789 3.236 . . . . 0.0 114.381 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -118.19 30.83 7.01 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 125.657 1.583 . . . . 0.0 108.77 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 8.3 t -117.64 105.38 11.97 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 127.427 2.291 . . . . 0.0 106.983 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.901 0 C-N-CA 124.973 1.273 . . . . 0.0 112.857 -177.486 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 . . . . . 0 N--CA 1.441 -0.889 0 CA-C-O 121.502 0.668 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 165.66 138.47 2.43 Favored Glycine 0 C--N 1.35 1.342 0 C-N-CA 126.12 1.819 . . . . 0.0 109.133 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 43.7 tp -164.42 167.9 19.1 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 104.583 -2.377 . . . . 0.0 104.583 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.0 148.92 45.63 Favored 'General case' 0 C--N 1.357 0.907 0 N-CA-C 104.071 -2.566 . . . . 0.0 104.071 174.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -81.74 12.88 3.54 Favored 'General case' 0 C--N 1.362 1.111 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 -177.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -169.55 166.2 10.13 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.345 75.2 mmtt 102.79 -28.21 0.01 OUTLIER 'General case' 0 C--N 1.37 1.488 0 C-N-CA 130.152 3.381 . . . . 0.0 112.978 178.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -70.51 -43.26 70.02 Favored 'General case' 0 C--N 1.364 1.216 0 C-N-CA 127.964 2.506 . . . . 0.0 113.529 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.18 -43.2 78.67 Favored 'General case' 0 C--N 1.363 1.184 0 C-N-CA 125.644 1.577 . . . . 0.0 114.656 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.0 m -61.15 -47.82 84.46 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 125.754 1.622 . . . . 0.0 114.031 177.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.552 49.1 tpt85 -72.15 -37.04 69.49 Favored 'General case' 0 C--O 1.243 0.722 0 C-N-CA 129.022 2.929 . . . . 0.0 114.147 175.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.85 -23.38 18.15 Favored 'General case' 0 CA--C 1.565 1.529 0 O-C-N 118.974 -2.329 . . . . 0.0 115.543 165.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 102' ' ' PHE 0.257 0.3 OUTLIER -60.15 -31.1 69.78 Favored 'General case' 0 C--N 1.383 2.04 0 O-C-N 119.755 -1.841 . . . . 0.0 114.808 161.782 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.262 48.7 mt-30 -69.39 -36.9 77.22 Favored 'General case' 0 C--N 1.378 1.814 0 C-N-CA 126.282 1.833 . . . . 0.0 109.949 173.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -62.41 -40.79 97.66 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 165.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.45 74.83 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 126.762 2.025 . . . . 0.0 112.419 173.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.8 m -69.59 -40.85 76.45 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 129.35 3.06 . . . . 0.0 109.816 174.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.7 -31.24 50.25 Favored 'Isoleucine or valine' 0 C--N 1.377 1.8 0 O-C-N 119.729 -1.857 . . . . 0.0 111.708 166.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -68.1 -36.93 80.57 Favored 'General case' 0 C--N 1.367 1.364 0 N-CA-C 116.293 1.96 . . . . 0.0 116.293 169.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.572 ' HB3' ' HG2' ' A' ' 93' ' ' LYS 0.273 0.5 OUTLIER -65.79 -35.49 80.85 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-N 120.407 1.458 . . . . 0.0 113.485 163.565 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.546 HD13 HG21 ' A' ' 31' ' ' VAL . 49.1 mt -65.59 -36.19 83.03 Favored 'General case' 0 C--N 1.366 1.314 0 CA-C-N 120.515 1.507 . . . . 0.0 115.011 174.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -83.2 -26.17 31.09 Favored 'General case' 0 C--N 1.373 1.621 0 C-N-CA 123.277 0.631 . . . . 0.0 112.14 173.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 m -83.31 -20.69 33.92 Favored 'General case' 0 C--N 1.382 1.992 0 O-C-N 120.604 -1.31 . . . . 0.0 113.128 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -91.38 94.05 9.32 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-O 123.266 1.508 . . . . 0.0 111.065 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.35 12.2 pt20 -53.65 -37.95 57.07 Favored Pre-proline 0 C--N 1.359 0.987 0 N-CA-C 119.246 3.054 . . . . 0.0 119.246 178.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -63.76 -19.03 66.46 Favored 'Trans proline' 0 C--N 1.362 1.283 0 C-N-CA 125.179 3.919 . . . . 0.0 114.107 167.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.92 -19.86 58.46 Favored 'General case' 0 C--N 1.376 1.736 0 CA-C-N 121.474 1.943 . . . . 0.0 113.819 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 59.6 mtt -66.81 -28.96 68.79 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 129.674 3.19 . . . . 0.0 114.059 177.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -94.41 -12.85 27.03 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 128.147 2.579 . . . . 0.0 111.782 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 25.8 mmt -102.62 -35.37 8.73 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 127.782 2.433 . . . . 0.0 114.677 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.403 HG21 ' HB ' ' A' ' 31' ' ' VAL . 3.1 p -123.52 145.36 30.64 Favored 'Isoleucine or valine' 0 C--N 1.363 1.18 0 O-C-N 120.263 -1.523 . . . . 0.0 109.701 177.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -102.17 -43.34 5.76 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 125.518 2.58 . . . . 0.0 113.267 177.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.719 0.9 OUTLIER -114.69 41.08 2.43 Favored 'General case' 0 CA--C 1.49 -1.336 1 C-N-CA 133.903 4.881 . . . . 0.0 117.126 -166.596 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.546 HG21 HD13 ' A' ' 18' ' ' LEU . 7.6 p -85.15 111.91 21.35 Favored 'Isoleucine or valine' 0 C--N 1.358 0.972 0 O-C-N 120.371 -1.456 . . . . 0.0 110.037 -176.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 t -145.84 162.15 38.36 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-O 123.6 1.667 . . . . 0.0 115.058 -173.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -110.87 47.89 0.96 Allowed 'General case' 0 C--N 1.363 1.181 0 C-N-CA 127.36 2.264 . . . . 0.0 107.789 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.5 p -152.38 168.09 11.99 Favored Pre-proline 0 C--N 1.352 0.7 0 C-N-CA 126.926 2.091 . . . . 0.0 107.527 -175.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -70.51 141.38 42.05 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 124.42 3.413 . . . . 0.0 112.784 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.23 51.71 0.02 OUTLIER Glycine 0 C--N 1.357 1.735 0 N-CA-C 106.452 -2.659 . . . . 0.0 106.452 -172.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.29 -13.65 51.93 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 126.824 2.049 . . . . 0.0 111.962 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -106.43 15.76 25.57 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 130.51 3.524 . . . . 0.0 111.737 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -90.23 166.97 18.01 Favored Pre-proline 0 C--N 1.364 1.211 0 CA-C-O 116.724 -1.607 . . . . 0.0 112.052 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -65.26 139.23 59.24 Favored 'Trans proline' 0 C--N 1.364 1.386 0 C-N-CA 124.802 3.668 . . . . 0.0 118.617 -168.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -81.3 127.06 75.08 Favored Pre-proline 0 C--N 1.356 0.877 0 C-N-CA 129.151 2.98 . . . . 0.0 114.464 -176.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -81.26 149.63 75.68 Favored 'Cis proline' 0 CA--C 1.554 1.507 0 CA-C-N 123.75 2.375 . . . . 0.0 115.021 0.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -165.35 166.69 18.44 Favored 'General case' 0 C--N 1.372 1.559 0 C-N-CA 125.02 1.328 . . . . 0.0 112.899 -174.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.4 t -138.53 138.54 42.51 Favored 'Isoleucine or valine' 0 C--N 1.389 2.297 0 CA-C-O 122.934 1.35 . . . . 0.0 113.152 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.468 HG22 ' CH2' ' A' ' 71' ' ' TRP . 16.6 m -117.41 143.66 27.29 Favored 'Isoleucine or valine' 0 C--N 1.359 1.002 0 O-C-N 120.779 -1.2 . . . . 0.0 107.79 163.328 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.9 mt -110.38 136.42 46.44 Favored 'Isoleucine or valine' 0 C--N 1.36 1.032 0 C-N-CA 127.149 2.179 . . . . 0.0 106.742 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.66 -118.27 0.77 Allowed Glycine 0 CA--C 1.495 -1.158 0 O-C-N 120.59 -1.319 . . . . 0.0 111.758 177.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -142.34 148.46 37.99 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 127.835 2.454 . . . . 0.0 105.214 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.419 ' HG3' HG13 ' A' ' 124' ' ' ILE . 0.0 OUTLIER -86.9 142.04 28.31 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 128.132 2.573 . . . . 0.0 117.553 -171.638 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.5 m -46.97 -18.99 0.09 Allowed 'General case' 0 C--N 1.371 1.539 1 C-N-CA 132.378 4.271 . . . . 0.0 121.094 -178.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 80.9 p -83.88 -28.41 27.97 Favored 'General case' 0 C--N 1.371 1.532 0 C-N-CA 124.835 1.254 . . . . 0.0 111.478 173.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.347 58.4 p 85.96 126.59 0.03 OUTLIER Pre-proline 0 C--N 1.363 1.162 0 C-N-CA 130.154 3.381 . . . . 0.0 117.202 173.057 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -84.62 133.49 5.24 Favored 'Trans proline' 0 CA--C 1.548 1.18 0 C-N-CA 123.867 3.044 . . . . 0.0 111.113 171.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -132.07 139.75 48.63 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 123.832 0.853 . . . . 0.0 108.794 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 73.53 64.49 0.09 Allowed 'General case' 0 C--N 1.363 1.187 0 C-N-CA 128.476 2.711 . . . . 0.0 115.546 177.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.1 p -122.85 109.4 14.13 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -81.97 60.07 4.63 Favored 'General case' 0 C--N 1.362 1.109 0 CA-C-O 123.59 1.662 . . . . 0.0 113.519 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.4 p -96.82 12.47 32.02 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 128.797 2.839 . . . . 0.0 112.189 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.7 m -67.21 -33.65 75.81 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 129.592 3.157 . . . . 0.0 116.403 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -149.52 56.78 0.99 Allowed 'General case' 0 C--N 1.352 0.715 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -152.12 136.01 5.25 Favored Glycine 0 C--N 1.348 1.246 0 N-CA-C 104.559 -3.416 . . . . 0.0 104.559 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -77.7 67.23 3.55 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 117.43 2.381 . . . . 0.0 117.43 -172.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -118.03 169.95 9.25 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 123.053 1.406 . . . . 0.0 112.453 176.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 mp -137.4 135.04 46.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 N-CA-C 100.548 -3.871 . . . . 0.0 100.548 176.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 t -131.97 129.2 39.87 Favored 'General case' 0 C--N 1.359 1.022 0 N-CA-C 104.914 -2.254 . . . . 0.0 104.914 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 41.9 mtp -127.32 128.18 45.52 Favored 'General case' 0 CA--C 1.501 -0.936 0 C-N-CA 126.434 1.894 . . . . 0.0 108.982 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.53 144.85 44.68 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 166.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -127.26 136.52 52.11 Favored 'General case' 0 C--O 1.244 0.767 0 N-CA-C 104.066 -2.568 . . . . 0.0 104.066 174.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -119.28 117.89 29.79 Favored 'General case' 0 C--N 1.359 0.994 0 N-CA-C 102.343 -3.206 . . . . 0.0 102.343 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.2 m -127.68 126.4 66.96 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 -168.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.468 ' CH2' HG22 ' A' ' 45' ' ' VAL . 4.6 m-90 -124.61 137.19 54.4 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 117.954 -1.499 . . . . 0.0 107.461 177.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.4 171.45 21.9 Favored Glycine 0 C--N 1.356 1.684 0 N-CA-C 107.539 -2.224 . . . . 0.0 107.539 172.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -144.67 149.24 21.32 Favored Glycine 0 C--N 1.349 1.294 0 N-CA-C 107.48 -2.248 . . . . 0.0 107.48 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.255 88.7 m 138.76 -58.74 0.0 OUTLIER 'General case' 0 C--N 1.364 1.21 0 C-N-CA 130.417 3.487 . . . . 0.0 108.585 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.9 m -160.42 155.98 25.36 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -56.63 -35.32 68.19 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 128.848 2.859 . . . . 0.0 116.761 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.28 80.1 Favored 'General case' 0 C--N 1.364 1.199 0 C-N-CA 129.745 3.218 . . . . 0.0 114.222 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -61.5 -33.48 73.87 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 128.452 2.701 . . . . 0.0 113.502 176.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.27 -34.15 77.67 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 127.36 2.264 . . . . 0.0 113.236 173.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -77.81 -34.92 51.86 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 126.879 2.071 . . . . 0.0 111.68 174.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.7 -43.85 83.26 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 126.797 2.039 . . . . 0.0 113.335 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.0 pt -67.27 -37.56 79.32 Favored 'Isoleucine or valine' 0 C--N 1.374 1.641 0 C-N-CA 126.003 1.721 . . . . 0.0 112.348 174.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 t -68.4 -39.29 81.7 Favored 'General case' 0 C--N 1.372 1.548 0 C-N-CA 126.7 2.0 . . . . 0.0 112.519 173.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.9 t -59.3 -37.69 78.37 Favored 'General case' 0 C--N 1.374 1.669 0 C-N-CA 128.258 2.623 . . . . 0.0 112.228 168.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -44.1 73.02 Favored 'General case' 0 C--N 1.373 1.6 0 C-N-CA 126.985 2.114 . . . . 0.0 114.011 170.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.349 1.7 p -67.99 -41.03 84.23 Favored 'Isoleucine or valine' 0 C--N 1.381 1.955 0 CA-C-N 121.861 2.119 . . . . 0.0 112.976 176.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.28 -44.47 96.45 Favored 'General case' 0 C--N 1.372 1.572 0 C-N-CA 130.522 3.529 . . . . 0.0 112.242 172.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -61.58 -41.0 96.78 Favored 'General case' 0 C--N 1.377 1.773 0 C-N-CA 126.021 1.728 . . . . 0.0 113.679 170.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.454 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -58.83 -51.24 70.85 Favored 'General case' 0 C--N 1.376 1.72 0 CA-C-N 120.497 1.499 . . . . 0.0 112.744 168.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.9 mt -53.15 -40.23 64.13 Favored 'General case' 0 C--N 1.383 2.034 0 N-CA-C 116.916 2.191 . . . . 0.0 116.916 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.365 0.2 OUTLIER -100.03 9.18 43.29 Favored 'General case' 0 C--N 1.369 1.454 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 170.539 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.454 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 0.5 OUTLIER -77.93 -49.71 13.63 Favored 'General case' 0 C--N 1.363 1.169 0 O-C-N 119.114 -2.241 . . . . 0.0 107.07 178.803 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.572 ' HG2' ' HB3' ' A' ' 17' ' ' ASN 0.286 12.9 ptpt -117.99 113.93 37.43 Favored Pre-proline 0 C--N 1.357 0.908 0 N-CA-C 103.579 -2.749 . . . . 0.0 103.579 169.625 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -62.04 149.82 88.9 Favored 'Trans proline' 0 C--N 1.37 1.689 0 C-N-CA 124.544 3.496 . . . . 0.0 114.921 -172.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.6 mt -73.81 107.66 6.18 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -171.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 47.2 ttm -144.49 141.44 29.55 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 126.253 1.821 . . . . 0.0 111.268 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -137.33 110.61 7.87 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 66.1 12.63 8.63 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 130.535 3.534 . . . . 0.0 115.769 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.43 -2.11 34.66 Favored Glycine 0 C--N 1.348 1.215 0 C-N-CA 125.776 1.655 . . . . 0.0 111.119 -170.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -93.34 123.57 36.72 Favored 'General case' 0 C--N 1.37 1.5 0 CA-C-N 120.149 1.975 . . . . 0.0 109.127 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.23 137.86 40.8 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 127.323 2.249 . . . . 0.0 112.788 -175.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -132.68 117.1 17.46 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 126.999 2.119 . . . . 0.0 107.687 -179.276 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.1 t -109.85 146.25 15.44 Favored 'Isoleucine or valine' 0 C--N 1.362 1.116 0 C-N-CA 125.806 1.642 . . . . 0.0 108.885 -174.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.01 124.22 28.99 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 126.264 1.825 . . . . 0.0 115.126 -171.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -142.99 95.08 2.71 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 125.746 1.618 . . . . 0.0 107.906 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt 112.1 114.77 0.0 OUTLIER 'General case' 0 C--N 1.366 1.322 0 C-N-CA 130.213 3.405 . . . . 0.0 109.739 -177.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.9 tp -148.14 144.64 27.92 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 104.091 -2.559 . . . . 0.0 104.091 -176.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . 0.358 88.6 t 111.1 154.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.369 1.44 0 C-N-CA 130.311 3.444 . . . . 0.0 109.3 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 13.9 tp -171.61 -172.49 1.05 Allowed 'General case' 0 C--N 1.366 1.311 0 C-N-CA 129.996 3.318 . . . . 0.0 102.377 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -163.63 -170.05 2.1 Favored 'General case' 0 C--N 1.36 1.032 0 CA-C-N 121.17 1.804 . . . . 0.0 110.4 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . 0.302 3.6 tp-100 116.5 142.47 0.0 OUTLIER 'General case' 0 C--N 1.37 1.49 0 C-N-CA 130.326 3.45 . . . . 0.0 113.637 175.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 40.0 t -115.66 129.66 71.61 Favored 'Isoleucine or valine' 0 C--N 1.363 1.162 0 C-N-CA 127.204 2.202 . . . . 0.0 105.653 174.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.9 tp -111.23 139.35 35.62 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 C-N-CA 125.756 1.622 . . . . 0.0 107.839 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 15.0 p -91.18 115.67 28.21 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 126.606 1.963 . . . . 0.0 113.259 -178.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 54.7 p-10 -100.68 171.61 7.59 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 125.006 1.323 . . . . 0.0 112.823 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.1 m -52.5 -31.13 33.67 Favored 'General case' 0 C--N 1.368 1.386 0 C-N-CA 131.152 3.781 . . . . 0.0 117.995 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -87.74 -14.7 39.06 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 127.118 2.167 . . . . 0.0 113.704 178.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 79.84 -5.58 61.43 Favored Glycine 0 C--N 1.363 2.045 0 C-N-CA 127.772 2.606 . . . . 0.0 117.474 176.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.2 p -127.77 100.72 6.38 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 N-CA-C 103.957 -2.609 . . . . 0.0 103.957 174.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.5 m -91.6 130.68 37.37 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 126.934 2.094 . . . . 0.0 112.369 -176.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -113.54 110.39 20.18 Favored 'General case' 0 C--N 1.362 1.13 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 169.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -137.95 137.56 38.09 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 125.417 1.487 . . . . 0.0 108.491 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -114.34 134.97 12.07 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 107.118 -2.393 . . . . 0.0 107.118 166.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.419 HG13 ' HG3' ' A' ' 49' ' ' GLN . 0.4 OUTLIER -123.64 127.31 73.92 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.744 0 N-CA-C 103.166 -2.902 . . . . 0.0 103.166 176.209 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.4 tp -133.95 124.91 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 N-CA-C 103.899 -2.63 . . . . 0.0 103.899 -177.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -132.63 134.11 44.47 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 -175.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.2 p -144.14 140.51 24.78 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 CA-C-O 122.576 1.179 . . . . 0.0 109.61 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 53.2 ttm-85 -118.77 140.02 50.62 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 126.437 1.895 . . . . 0.0 107.976 175.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -124.63 152.92 43.01 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 125.323 1.449 . . . . 0.0 109.333 -178.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.8 m -109.73 140.38 43.68 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 125.518 1.527 . . . . 0.0 109.375 176.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 9.3 tt -125.8 117.88 50.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 103.079 -2.934 . . . . 0.0 103.079 172.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 87.49 152.23 0.06 Allowed 'General case' 0 C--N 1.362 1.14 0 C-N-CA 129.78 3.232 . . . . 0.0 111.619 -175.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -122.18 -96.07 0.47 Allowed 'General case' 0 C--N 1.354 0.802 0 O-C-N 121.406 -0.809 . . . . 0.0 110.522 -176.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -80.09 -28.38 39.09 Favored 'General case' 0 C--N 1.362 1.129 0 N-CA-C 115.821 1.786 . . . . 0.0 115.821 -175.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 31.0 m -118.04 135.57 54.09 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 126.182 1.793 . . . . 0.0 106.265 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.364 2.094 0 C-N-CA 124.699 1.142 . . . . 0.0 113.455 177.913 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 . . . . . 0 N--CA 1.442 -0.852 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -105.23 157.68 16.31 Favored Glycine 0 C--N 1.354 1.577 0 C-N-CA 126.812 2.148 . . . . 0.0 110.525 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . 0.312 3.1 mm? 82.66 29.16 0.11 Allowed 'General case' 0 C--N 1.361 1.099 0 C-N-CA 128.168 2.587 . . . . 0.0 112.657 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -76.75 84.0 3.36 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 128.018 2.527 . . . . 0.0 111.548 177.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.5 p -80.61 85.28 6.03 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 127.006 2.123 . . . . 0.0 113.893 -176.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.287 0.1 OUTLIER -76.32 62.07 1.75 Allowed 'General case' 0 C--N 1.365 1.275 0 O-C-N 119.599 -1.938 . . . . 0.0 115.595 -179.663 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -73.27 -13.57 61.15 Favored 'General case' 0 C--N 1.372 1.55 0 C-N-CA 129.151 2.981 . . . . 0.0 110.33 172.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.7 mt -72.8 -28.31 62.49 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 131.049 3.74 . . . . 0.0 111.277 171.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.2 80.37 Favored 'General case' 0 C--N 1.378 1.834 0 C-N-CA 126.22 1.808 . . . . 0.0 114.505 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.6 m -64.92 -47.34 78.08 Favored 'General case' 0 C--N 1.365 1.242 0 CA-C-O 124.578 2.133 . . . . 0.0 112.943 176.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.49 56.2 ttp180 -73.85 -38.75 64.38 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 128.666 2.786 . . . . 0.0 115.291 174.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -23.48 65.22 Favored 'General case' 0 C--N 1.365 1.278 0 O-C-N 118.026 -2.921 . . . . 0.0 114.077 168.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.475 HD22 ' CD1' ' A' ' 102' ' ' PHE 0.445 0.2 OUTLIER -68.36 -28.62 67.28 Favored 'General case' 0 C--N 1.372 1.571 0 O-C-N 119.422 -2.049 . . . . 0.0 112.332 166.717 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -43.02 99.29 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 126.068 1.747 . . . . 0.0 111.554 170.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.384 0.0 OUTLIER -65.06 -30.17 71.11 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 170.726 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.65 -33.37 70.89 Favored 'General case' 0 C--N 1.365 1.28 0 O-C-N 120.367 -1.458 . . . . 0.0 114.515 167.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.273 28.9 p -69.03 -40.04 78.86 Favored 'General case' 0 C--N 1.382 2.022 0 C-N-CA 125.415 1.486 . . . . 0.0 110.844 168.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.45 -39.02 83.0 Favored 'Isoleucine or valine' 0 C--N 1.365 1.239 0 C-N-CA 124.782 1.233 . . . . 0.0 113.655 174.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -70.27 -29.06 65.73 Favored 'General case' 0 C--N 1.367 1.357 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 170.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -64.05 -44.85 91.19 Favored 'General case' 0 C--N 1.372 1.586 0 O-C-N 119.113 -2.242 . . . . 0.0 111.788 168.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.6 mt -64.44 -31.4 72.59 Favored 'General case' 0 C--N 1.362 1.147 0 O-C-N 120.794 -1.192 . . . . 0.0 113.993 175.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -33.58 65.9 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 126.271 1.828 . . . . 0.0 112.756 168.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.0 m -81.93 -18.41 43.71 Favored 'General case' 0 C--N 1.376 1.761 0 C-N-CA 125.937 1.695 . . . . 0.0 115.239 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -87.24 99.53 12.02 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 120.557 -1.339 . . . . 0.0 111.61 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.41 7.0 pt20 -42.15 -48.42 11.54 Favored Pre-proline 0 C--N 1.364 1.213 0 N-CA-C 121.064 3.727 . . . . 0.0 121.064 -177.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -66.5 -22.95 50.89 Favored 'Trans proline' 0 CA--C 1.551 1.357 0 CA-C-N 127.839 3.835 . . . . 0.0 115.609 166.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.45 -32.13 67.98 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-N 121.819 2.099 . . . . 0.0 113.147 -177.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 46.5 mtp -56.66 -28.45 60.7 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 130.246 3.418 . . . . 0.0 114.556 166.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -94.95 -14.69 24.2 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.169 2.188 . . . . 0.0 112.384 175.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.15 -39.18 10.71 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 127.714 2.406 . . . . 0.0 110.678 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 m -134.17 144.87 34.12 Favored 'Isoleucine or valine' 0 C--N 1.364 1.198 0 N-CA-C 104.301 -2.481 . . . . 0.0 104.301 173.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -100.93 -42.66 6.34 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 128.168 2.587 . . . . 0.0 114.011 -176.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.804 14.6 mm-40 -98.43 41.14 1.15 Allowed 'General case' 0 CA--C 1.5 -0.948 1 C-N-CA 133.469 4.707 . . . . 0.0 115.968 -172.63 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -84.99 107.69 16.19 Favored 'Isoleucine or valine' 0 C--N 1.361 1.077 0 CA-C-O 124.351 2.024 . . . . 0.0 106.662 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.6 t -147.4 168.87 20.75 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 112.12 -2.309 . . . . 0.0 112.141 -169.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -101.28 -17.95 16.33 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 127.508 2.323 . . . . 0.0 111.331 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.274 10.6 m -169.5 -67.63 0.0 OUTLIER Pre-proline 0 C--N 1.363 1.182 0 CA-C-O 116.171 -1.871 . . . . 0.0 112.0 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -72.49 136.39 26.03 Favored 'Trans proline' 0 C--N 1.364 1.375 0 CA-C-N 127.241 3.622 . . . . 0.0 111.001 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.93 4.72 57.69 Favored Glycine 0 C--N 1.353 1.523 0 O-C-N 121.224 -0.922 . . . . 0.0 112.453 -168.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.25 0.1 OUTLIER -79.02 -21.58 46.73 Favored 'General case' 0 C--N 1.373 1.605 0 O-C-N 120.387 -1.655 . . . . 0.0 114.977 -179.069 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -99.12 10.89 40.54 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 128.032 2.533 . . . . 0.0 112.551 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.32 164.19 28.3 Favored Pre-proline 0 C--N 1.358 0.961 0 C-N-CA 125.64 1.576 . . . . 0.0 110.257 178.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.25 163.0 15.2 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.754 2.969 . . . . 0.0 114.036 -174.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.413 ' CE1' ' CE1' ' A' ' 43' ' ' TYR . 73.6 m-85 -65.98 147.03 98.99 Favored Pre-proline 0 C--N 1.364 1.204 0 C-N-CA 129.359 3.063 . . . . 0.0 115.195 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -81.94 147.9 68.84 Favored 'Cis proline' 0 CA--C 1.549 1.253 0 CA-C-N 121.131 1.44 . . . . 0.0 114.253 2.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.413 ' CE1' ' CE1' ' A' ' 41' ' ' TYR . 25.8 p90 -166.74 167.82 14.82 Favored 'General case' 0 C--N 1.367 1.337 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.1 t -135.28 128.57 48.83 Favored 'Isoleucine or valine' 0 C--N 1.395 2.547 0 CA-C-O 123.132 1.444 . . . . 0.0 109.709 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.468 HG22 ' CH2' ' A' ' 71' ' ' TRP . 13.7 m -119.04 143.58 29.81 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 O-C-N 120.259 -1.525 . . . . 0.0 110.025 173.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 37.4 mm -78.63 139.85 17.82 Favored 'Isoleucine or valine' 0 C--N 1.366 1.31 0 C-N-CA 127.291 2.236 . . . . 0.0 109.881 170.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.04 -166.01 20.02 Favored Glycine 0 CA--C 1.493 -1.333 0 N-CA-C 107.028 -2.429 . . . . 0.0 107.028 174.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -145.97 145.51 30.68 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 102.996 -2.964 . . . . 0.0 102.996 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -88.45 126.65 35.33 Favored 'General case' 0 C--N 1.359 0.987 0 O-C-N 120.547 -1.346 . . . . 0.0 111.77 -174.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.9 t -131.39 158.36 40.96 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 120.124 -1.61 . . . . 0.0 108.976 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.9 m 167.58 -46.74 0.0 OUTLIER 'General case' 0 C--N 1.356 0.868 0 C-N-CA 130.407 3.483 . . . . 0.0 104.471 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.7 m -91.45 -56.36 0.25 Allowed Pre-proline 0 C--N 1.36 1.023 0 C-N-CA 126.257 1.823 . . . . 0.0 110.818 172.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.08 113.53 3.81 Favored 'Trans proline' 0 C--N 1.368 1.58 0 CA-C-N 125.302 2.929 . . . . 0.0 113.203 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -135.37 101.95 4.99 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 101.299 -3.593 . . . . 0.0 101.299 171.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 64.59 26.35 13.25 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 127.211 2.204 . . . . 0.0 113.731 -173.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.33 157.66 42.77 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 120.649 -1.282 . . . . 0.0 109.421 -174.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -77.36 154.19 33.02 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 128.008 2.523 . . . . 0.0 114.638 -177.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 p -82.87 -50.39 8.66 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 128.735 2.814 . . . . 0.0 114.275 -177.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.1 m -170.43 101.56 0.26 Allowed 'General case' 0 C--N 1.352 0.684 0 CA-C-O 122.366 1.079 . . . . 0.0 110.019 173.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 76.42 -70.74 0.13 Allowed 'General case' 0 C--N 1.364 1.221 0 C-N-CA 129.246 3.018 . . . . 0.0 114.87 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 139.11 -36.47 1.87 Allowed Glycine 0 C--N 1.354 1.56 0 C-N-CA 127.108 2.289 . . . . 0.0 108.384 -172.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -93.08 49.14 1.39 Allowed 'General case' 0 C--N 1.357 0.901 0 C-N-CA 127.604 2.361 . . . . 0.0 112.69 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -156.94 159.18 37.84 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 102.071 -3.307 . . . . 0.0 102.071 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.1 121.81 60.43 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 N-CA-C 102.008 -3.331 . . . . 0.0 102.008 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.3 p -128.43 119.32 24.73 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-O 117.146 -1.407 . . . . 0.0 108.801 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 3.7 tpt -154.19 162.14 41.38 Favored 'General case' 0 C--N 1.37 1.488 0 CA-C-N 119.409 1.004 . . . . 0.0 109.991 174.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.38 163.88 28.69 Favored 'General case' 0 C--N 1.36 1.033 0 O-C-N 119.897 -1.752 . . . . 0.0 110.046 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.63 150.23 49.57 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 104.201 -2.518 . . . . 0.0 104.201 172.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -112.04 118.82 36.46 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 100.262 -3.977 . . . . 0.0 100.262 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.8 t -119.52 111.65 33.94 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.15 0 N-CA-C 103.916 -2.624 . . . . 0.0 103.916 -168.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.468 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -133.93 139.56 46.21 Favored 'General case' 0 C--N 1.366 1.306 0 C-N-CA 116.145 -2.222 . . . . 0.0 107.964 -177.014 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -127.83 174.19 18.67 Favored Glycine 0 C--N 1.36 1.87 0 CA-C-O 122.116 0.842 . . . . 0.0 111.916 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -129.45 -154.2 8.1 Favored Glycine 0 C--N 1.357 1.746 0 C-N-CA 128.582 2.991 . . . . 0.0 108.511 177.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.9 m 73.15 -62.87 0.46 Allowed 'General case' 0 C--N 1.364 1.2 0 C-N-CA 127.736 2.414 . . . . 0.0 117.215 172.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.0 m -159.41 155.17 26.17 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 125.279 1.432 . . . . 0.0 107.702 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.73 -34.24 38.19 Favored 'General case' 0 C--N 1.366 1.311 1 C-N-CA 132.406 4.282 . . . . 0.0 116.017 177.21 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.57 -35.15 77.0 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 130.08 3.352 . . . . 0.0 113.918 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -60.93 -33.11 72.65 Favored 'General case' 0 C--N 1.372 1.557 0 C-N-CA 127.853 2.461 . . . . 0.0 114.386 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.68 -39.42 80.59 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 130.532 3.533 . . . . 0.0 113.824 174.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -40.2 63.49 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 127.77 2.428 . . . . 0.0 110.186 174.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -62.56 -42.17 99.37 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 127.008 2.123 . . . . 0.0 112.933 171.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.283 14.8 pt -67.17 -44.89 87.54 Favored 'Isoleucine or valine' 0 C--N 1.373 1.619 0 CA-C-N 121.033 1.742 . . . . 0.0 112.773 172.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.4 t -67.65 -44.09 78.74 Favored 'General case' 0 C--N 1.367 1.342 0 CA-C-N 120.965 1.711 . . . . 0.0 114.74 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.2 t -67.24 -34.74 78.1 Favored 'General case' 0 C--N 1.371 1.533 0 C-N-CA 127.391 2.276 . . . . 0.0 113.51 174.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -75.42 -29.78 59.84 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 125.929 1.692 . . . . 0.0 111.662 173.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.1 t -66.76 -49.56 73.4 Favored 'Isoleucine or valine' 0 C--N 1.383 2.048 0 C-N-CA 127.789 2.435 . . . . 0.0 111.169 171.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.36 3.4 pp -65.01 -37.11 86.58 Favored 'General case' 0 C--N 1.378 1.825 0 O-C-N 119.722 -1.861 . . . . 0.0 114.333 175.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.45 -45.3 94.86 Favored 'General case' 0 C--N 1.376 1.73 0 C-N-CA 126.352 1.861 . . . . 0.0 112.282 170.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.55 -54.01 50.59 Favored 'General case' 0 C--N 1.375 1.686 0 C-N-CA 126.553 1.941 . . . . 0.0 113.466 170.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 27.5 mt -48.77 -31.91 7.74 Favored 'General case' 0 C--N 1.381 1.955 0 C-N-CA 128.463 2.705 . . . . 0.0 116.407 176.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.537 0.3 OUTLIER -110.53 9.52 23.17 Favored 'General case' 0 C--N 1.374 1.635 0 N-CA-C 116.766 2.136 . . . . 0.0 116.766 162.784 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -44.58 35.9 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 117.814 -3.054 . . . . 0.0 108.517 175.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.67 142.31 24.68 Favored Pre-proline 0 C--N 1.358 0.956 0 N-CA-C 102.17 -3.27 . . . . 0.0 102.17 173.009 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -79.65 155.67 24.24 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 124.267 3.312 . . . . 0.0 111.275 -175.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.8 mt -90.37 107.34 19.09 Favored 'General case' 0 C--N 1.366 1.313 0 CA-C-O 123.792 1.758 . . . . 0.0 108.705 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.1 ttt -144.55 135.06 24.59 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 112.716 -2.038 . . . . 0.0 109.893 -168.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -133.53 108.66 8.75 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 175.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 74.01 18.29 3.26 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 129.832 3.253 . . . . 0.0 114.2 176.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.48 5.16 57.01 Favored Glycine 0 C--N 1.354 1.544 0 C-N-CA 125.733 1.635 . . . . 0.0 112.322 -174.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -101.1 125.05 47.69 Favored 'General case' 0 C--N 1.36 1.059 0 CA-C-N 118.725 1.262 . . . . 0.0 110.617 -177.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.7 p -93.45 133.5 36.66 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 127.944 2.498 . . . . 0.0 114.734 -176.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.475 ' CD1' HD22 ' A' ' 10' ' ' LEU 0.287 0.0 OUTLIER -133.76 152.72 51.95 Favored 'General case' 0 C--N 1.363 1.156 0 O-C-N 121.061 -1.025 . . . . 0.0 108.563 179.568 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.8 t -106.46 117.1 51.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.026 0 C-N-CA 127.206 2.202 . . . . 0.0 111.62 -169.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.35 138.17 33.64 Favored 'General case' 0 C--N 1.366 1.315 0 N-CA-C 118.582 2.808 . . . . 0.0 118.582 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -120.39 145.78 46.84 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 126.451 1.9 . . . . 0.0 107.906 170.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.416 ' HG3' ' H ' ' A' ' 107' ' ' LEU . 17.7 pttm -157.08 -79.76 0.07 Allowed 'General case' 0 C--N 1.364 1.196 0 O-C-N 120.207 -1.558 . . . . 0.0 111.605 176.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.416 ' H ' ' HG3' ' A' ' 106' ' ' LYS 0.306 54.7 mt 79.3 53.74 0.02 OUTLIER 'General case' 0 C--N 1.356 0.866 0 C-N-CA 127.884 2.473 . . . . 0.0 114.564 -178.824 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 m -111.28 107.42 22.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 C-N-CA 127.279 2.232 . . . . 0.0 106.868 175.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -112.11 -142.62 0.39 Allowed 'General case' 0 C--N 1.357 0.919 0 C-N-CA 125.605 1.562 . . . . 0.0 109.348 -175.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -88.49 51.63 2.23 Favored 'General case' 0 C--N 1.362 1.114 0 O-C-N 120.206 -1.559 . . . . 0.0 113.127 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -87.37 51.49 2.25 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 126.499 1.92 . . . . 0.0 111.328 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.8 m -112.61 139.27 38.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 C-N-CA 129.535 3.134 . . . . 0.0 109.305 -176.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 37.1 mt -106.49 142.18 19.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 C-N-CA 125.533 1.533 . . . . 0.0 109.475 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.7 m -75.83 125.26 28.74 Favored 'General case' 0 C--N 1.365 1.266 0 C-N-CA 128.852 2.861 . . . . 0.0 113.647 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -116.25 142.09 47.29 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.8 p -68.67 -21.39 64.44 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 128.067 2.547 . . . . 0.0 115.695 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -90.4 -19.24 24.18 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 126.711 2.004 . . . . 0.0 113.029 176.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 78.58 40.43 18.58 Favored Glycine 0 C--N 1.367 2.259 0 C-N-CA 125.458 1.504 . . . . 0.0 114.078 -175.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 13.3 p -89.42 149.31 4.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 C-N-CA 127.582 2.353 . . . . 0.0 110.199 -178.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 6.3 p -81.74 141.87 33.16 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 125.079 2.371 . . . . 0.0 116.735 -175.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -101.78 114.56 28.74 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 172.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.06 148.74 23.21 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 127.175 2.19 . . . . 0.0 107.034 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.4 158.09 22.59 Favored Glycine 0 CA--C 1.488 -1.653 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.89 115.8 50.61 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 1 N-CA-C 99.201 -4.37 . . . . 0.0 99.201 172.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 49.6 mt -117.56 117.2 54.31 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 C-N-CA 125.06 1.344 . . . . 0.0 108.314 -171.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -92.42 131.77 37.31 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-O 122.784 1.278 . . . . 0.0 109.12 172.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.42 126.74 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 171.198 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -119.88 128.05 53.29 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 103.919 -2.622 . . . . 0.0 103.919 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -128.19 141.36 51.49 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 102.227 -3.249 . . . . 0.0 102.227 -173.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 86.5 m -132.51 144.75 50.65 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 105.944 -1.873 . . . . 0.0 105.944 -170.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.69 111.41 21.91 Favored 'Isoleucine or valine' 0 C--N 1.362 1.129 0 O-C-N 120.195 -1.566 . . . . 0.0 111.26 178.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -159.8 165.9 31.45 Favored 'General case' 0 CA--C 1.504 -0.826 1 N-CA-C 99.551 -4.24 . . . . 0.0 99.551 173.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 76.19 -54.69 0.6 Allowed 'General case' 0 C--N 1.354 0.768 0 C-N-CA 127.398 2.279 . . . . 0.0 113.125 -177.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . 0.314 36.5 m-80 89.6 -43.38 0.02 OUTLIER 'General case' 0 C--N 1.361 1.104 0 C-N-CA 130.703 3.601 . . . . 0.0 115.023 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 23.0 p -92.14 90.45 7.35 Favored 'General case' 0 C--N 1.359 1.001 0 O-C-N 119.802 -1.811 . . . . 0.0 114.123 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.358 1.789 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 175.646 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 . . . . . 0 N--CA 1.439 -1.015 0 CA-C-O 122.322 1.058 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 111.42 -67.89 0.23 Allowed Glycine 0 C--N 1.355 1.602 0 C-N-CA 126.479 1.99 . . . . 0.0 112.798 174.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 98.3 mt -124.38 38.51 4.18 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 124.709 1.204 . . . . 0.0 110.37 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -131.04 21.09 4.9 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 125.141 1.376 . . . . 0.0 109.357 176.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 t -179.4 177.46 0.75 Allowed 'General case' 0 C--N 1.358 0.964 0 C-N-CA 128.658 2.783 . . . . 0.0 104.009 177.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 21.9 t-105 -164.14 94.15 0.72 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 178.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -63.65 -20.99 66.14 Favored 'General case' 0 C--N 1.37 1.498 0 C-N-CA 126.939 2.096 . . . . 0.0 115.297 -177.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.512 HD22 ' H ' ' A' ' 5' ' ' LEU . 1.1 mm? -72.68 -24.38 61.01 Favored 'General case' 0 C--N 1.364 1.216 0 C-N-CA 131.452 3.901 . . . . 0.0 111.312 174.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.32 -33.44 75.98 Favored 'General case' 0 C--N 1.381 1.951 0 C-N-CA 126.102 1.761 . . . . 0.0 113.52 175.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.443 ' O ' HD13 ' A' ' 64' ' ' ILE . 71.2 m -62.3 -48.37 80.15 Favored 'General case' 0 C--N 1.374 1.659 0 C-N-CA 124.311 1.044 . . . . 0.0 113.698 175.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.637 45.6 ttp180 -73.86 -37.29 64.83 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 119.237 -2.164 . . . . 0.0 116.554 169.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.35 -23.43 5.9 Favored 'General case' 0 CA--C 1.573 1.846 0 O-C-N 117.324 -3.36 . . . . 0.0 115.025 168.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.554 HD22 ' HB2' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -59.9 -29.29 68.26 Favored 'General case' 0 C--N 1.375 1.675 0 C-N-CA 128.295 2.638 . . . . 0.0 115.816 163.503 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.505 ' HA ' ' HE2' ' A' ' 66' ' ' MET . 0.7 OUTLIER -70.0 -41.32 74.52 Favored 'General case' 0 C--N 1.382 1.984 0 C-N-CA 128.948 2.899 . . . . 0.0 108.232 172.815 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -67.32 -30.22 70.0 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 115.07 -0.968 . . . . 0.0 113.135 168.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.44 -40.89 85.45 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 120.306 -1.496 . . . . 0.0 112.324 167.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.521 HG23 HD12 ' A' ' 95' ' ' LEU . 5.5 m -69.14 -36.97 78.02 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 123.951 1.834 . . . . 0.0 111.937 178.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -31.38 51.13 Favored 'Isoleucine or valine' 0 C--N 1.372 1.556 0 C-N-CA 125.224 1.41 . . . . 0.0 112.017 170.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 73.2 tt0 -70.86 -29.8 66.03 Favored 'General case' 0 C--N 1.372 1.562 0 C-N-CA 124.955 1.302 . . . . 0.0 113.394 172.189 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -68.82 -40.46 79.47 Favored 'General case' 0 C--N 1.368 1.413 0 C-N-CA 125.962 1.705 . . . . 0.0 110.857 171.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mp -59.03 -42.25 89.75 Favored 'General case' 0 C--N 1.377 1.792 0 N-CA-C 114.96 1.466 . . . . 0.0 114.96 169.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.45 ' HG2' ' HA ' ' A' ' 16' ' ' GLU 0.254 8.3 pt-20 -79.33 -16.57 56.11 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 171.108 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.4 m -83.37 -21.98 32.92 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 125.048 1.339 . . . . 0.0 112.867 175.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.443 ' CD2' ' HB2' ' A' ' 89' ' ' ALA . 9.4 t80 -84.58 102.86 13.21 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 124.861 1.265 . . . . 0.0 113.052 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.364 16.2 pt20 -44.52 -47.74 26.61 Favored Pre-proline 0 C--N 1.365 1.244 0 N-CA-C 120.862 3.653 . . . . 0.0 120.862 -179.116 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -66.42 -20.2 54.75 Favored 'Trans proline' 0 C--N 1.364 1.387 0 CA-C-N 127.55 3.732 . . . . 0.0 115.238 168.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.433 HD23 ' CG2' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -72.28 -34.56 68.28 Favored 'General case' 0 C--N 1.375 1.678 0 CA-C-N 121.346 1.885 . . . . 0.0 112.156 -179.165 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 76.7 mmm -63.08 -28.54 70.15 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 129.704 3.202 . . . . 0.0 116.841 175.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -94.69 -21.64 18.65 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 125.236 1.415 . . . . 0.0 112.197 176.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.7 mmt -86.67 -41.37 14.26 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.14 1.776 . . . . 0.0 112.929 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.433 ' CG2' HD23 ' A' ' 24' ' ' LEU . 16.0 m -126.59 146.05 33.1 Favored 'Isoleucine or valine' 0 C--N 1.364 1.218 0 N-CA-C 103.8 -2.667 . . . . 0.0 103.8 172.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -100.95 -39.29 7.83 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 129.442 3.097 . . . . 0.0 112.191 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.377 16.9 mt-30 -95.96 41.92 1.1 Allowed 'General case' 0 N--CA 1.428 -1.528 1 C-N-CA 140.973 7.709 . . . . 0.0 112.25 -164.078 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.3 t -86.43 106.97 16.2 Favored 'Isoleucine or valine' 0 C--N 1.38 1.895 0 N-CA-C 104.635 -2.357 . . . . 0.0 104.635 176.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 t -146.02 170.07 17.39 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 113.45 -1.705 . . . . 0.0 113.354 -170.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.06 23.0 3.28 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 126.913 2.085 . . . . 0.0 109.382 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 82.2 p -122.98 -164.96 0.06 OUTLIER Pre-proline 0 C--N 1.351 0.655 0 C-N-CA 126.783 2.033 . . . . 0.0 109.611 -171.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -62.77 141.26 84.41 Favored 'Trans proline' 0 C--N 1.371 1.737 0 C-N-CA 123.817 3.011 . . . . 0.0 110.347 160.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 148.16 -5.09 0.88 Allowed Glycine 0 C--N 1.348 1.196 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.793 -165.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.251 0.0 OUTLIER -78.21 -18.27 55.65 Favored 'General case' 0 C--N 1.365 1.25 0 N-CA-C 117.643 2.46 . . . . 0.0 117.643 -175.094 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -106.16 16.34 25.06 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 128.338 2.655 . . . . 0.0 114.628 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.15 179.85 1.2 Allowed Pre-proline 0 C--N 1.355 0.829 0 C-N-CA 127.297 2.239 . . . . 0.0 112.906 -172.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -64.93 131.76 30.01 Favored 'Trans proline' 0 C--N 1.367 1.546 0 C-N-CA 124.6 3.534 . . . . 0.0 115.933 -177.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -78.55 146.47 69.69 Favored Pre-proline 0 C--N 1.354 0.781 1 C-N-CA 132.627 4.371 . . . . 0.0 114.301 -174.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -85.98 148.28 42.13 Favored 'Cis proline' 0 C--N 1.364 1.392 0 CA-C-N 124.827 2.76 . . . . 0.0 114.53 1.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -173.37 169.42 4.44 Favored 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 114.498 1.295 . . . . 0.0 114.498 -175.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 p -138.52 137.48 43.41 Favored 'Isoleucine or valine' 0 C--N 1.406 3.058 0 N-CA-C 116.409 2.004 . . . . 0.0 116.409 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . 0.314 8.4 m -117.77 156.11 19.43 Favored 'Isoleucine or valine' 0 C--N 1.38 1.892 0 O-C-N 120.339 -1.476 . . . . 0.0 111.387 170.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.1 mm -81.69 139.65 17.65 Favored 'Isoleucine or valine' 0 C--N 1.369 1.436 0 C-N-CA 125.169 1.388 . . . . 0.0 110.471 169.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -159.37 -164.14 14.24 Favored Glycine 0 C--N 1.35 1.359 0 N-CA-C 106.067 -2.813 . . . . 0.0 106.067 174.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -146.49 147.66 31.41 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 105.771 -1.936 . . . . 0.0 105.771 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -80.06 135.18 36.29 Favored 'General case' 0 C--N 1.364 1.221 0 CA-C-N 120.76 1.618 . . . . 0.0 114.884 -176.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . 0.308 2.1 t 72.61 -42.6 0.54 Allowed 'General case' 0 C--N 1.363 1.175 0 N-CA-C 118.588 2.81 . . . . 0.0 118.588 176.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.6 p -162.09 -104.52 0.02 OUTLIER 'General case' 0 C--N 1.356 0.873 0 C-N-CA 124.143 0.977 . . . . 0.0 110.259 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.7 m 156.3 123.33 0.0 OUTLIER Pre-proline 0 C--N 1.354 0.775 0 C-N-CA 131.328 3.851 . . . . 0.0 104.066 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -76.13 135.86 17.53 Favored 'Trans proline' 0 C--N 1.361 1.22 0 C-N-CA 124.425 3.417 . . . . 0.0 113.445 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -136.25 130.52 33.18 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.192 1.397 . . . . 0.0 108.286 177.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . 0.256 2.6 tm-20 75.08 89.24 0.09 Allowed 'General case' 0 C--N 1.364 1.238 0 C-N-CA 128.12 2.568 . . . . 0.0 116.105 175.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.2 m -160.74 111.89 1.84 Allowed 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 103.417 -2.809 . . . . 0.0 103.417 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 79.4 tttt 76.9 141.33 0.07 Allowed 'General case' 0 C--N 1.362 1.114 0 C-N-CA 127.991 2.516 . . . . 0.0 114.835 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.6 p -84.72 73.54 10.58 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 118.95 -2.344 . . . . 0.0 111.94 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.7 m -165.1 -64.75 0.03 OUTLIER 'General case' 0 C--N 1.352 0.676 0 C-N-CA 123.512 0.725 . . . . 0.0 109.362 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 75.15 -177.93 0.16 Allowed 'General case' 0 C--N 1.365 1.278 0 C-N-CA 128.055 2.542 . . . . 0.0 116.166 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.48 -40.96 2.45 Favored Glycine 0 C--N 1.368 2.32 0 C-N-CA 127.454 2.454 . . . . 0.0 115.903 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -33.01 -43.52 0.1 Allowed 'General case' 0 C--N 1.367 1.364 1 C-N-CA 134.453 5.101 . . . . 0.0 120.164 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.36 0.6 OUTLIER -136.13 150.6 49.15 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-O 123.589 1.661 . . . . 0.0 110.177 172.136 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.58 HD11 ' CD2' ' A' ' 102' ' ' PHE . 5.2 mt -118.29 132.79 67.12 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 C-N-CA 129.411 3.084 . . . . 0.0 107.103 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.1 p -116.45 118.45 32.71 Favored 'General case' 0 C--N 1.366 1.289 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 171.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.505 ' HE2' ' HA ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -144.96 139.53 27.61 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-N 119.815 1.189 . . . . 0.0 113.374 -175.094 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.0 163.18 25.92 Favored 'General case' 0 C--N 1.363 1.163 0 CA-C-O 124.638 2.161 . . . . 0.0 110.35 174.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.56 ' CZ ' HD11 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -131.8 136.57 47.63 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 101.21 -3.626 . . . . 0.0 101.21 168.253 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -113.24 119.19 36.88 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 -178.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -117.44 131.32 70.51 Favored 'Isoleucine or valine' 0 C--N 1.364 1.214 0 N-CA-C 107.672 -1.232 . . . . 0.0 107.672 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -130.56 123.66 30.05 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.06 -1.056 . . . . 0.0 108.555 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.96 118.8 5.71 Favored Glycine 0 C--N 1.363 2.047 0 C-N-CA 124.439 1.019 . . . . 0.0 111.262 174.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.29 25.95 26.25 Favored Glycine 0 C--N 1.361 1.934 0 C-N-CA 128.019 2.723 . . . . 0.0 114.719 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.7 p -103.79 -81.26 0.52 Allowed 'General case' 0 C--N 1.345 0.39 0 C-N-CA 127.812 2.445 . . . . 0.0 110.027 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -157.13 161.09 39.38 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 106.78 -1.563 . . . . 0.0 106.78 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 -51.64 -35.89 43.9 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 130.266 3.427 . . . . 0.0 117.792 -175.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.48 -36.06 78.42 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 126.113 1.765 . . . . 0.0 113.853 176.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -67.61 -33.15 74.42 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 126.854 2.062 . . . . 0.0 114.452 177.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.411 ' HA ' HG12 ' A' ' 82' ' ' ILE . . . -67.47 -35.09 78.5 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.946 2.098 . . . . 0.0 114.87 173.396 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -70.52 -38.97 74.34 Favored 'General case' 0 C--N 1.377 1.804 0 C-N-CA 128.475 2.71 . . . . 0.0 109.965 173.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 85' ' ' ARG . 28.9 t70 -65.15 -51.38 61.5 Favored 'General case' 0 C--N 1.372 1.58 0 C-N-CA 126.628 1.971 . . . . 0.0 111.683 172.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.411 HG12 ' HA ' ' A' ' 79' ' ' ALA 0.422 9.1 pt -63.47 -37.64 80.11 Favored 'Isoleucine or valine' 0 C--N 1.379 1.849 0 CA-C-N 121.759 2.072 . . . . 0.0 114.76 173.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.7 m -64.02 -46.68 83.38 Favored 'General case' 0 C--N 1.372 1.574 0 C-N-CA 127.475 2.31 . . . . 0.0 113.276 173.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.6 t -75.43 -27.85 59.12 Favored 'General case' 0 C--N 1.371 1.507 0 O-C-N 119.651 -1.906 . . . . 0.0 113.285 175.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 81' ' ' ASP . 0.7 OUTLIER -62.32 -42.0 99.02 Favored 'General case' 0 C--N 1.377 1.797 0 C-N-CA 128.571 2.748 . . . . 0.0 109.177 172.148 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.423 ' O ' HD13 ' A' ' 90' ' ' LEU . 0.9 OUTLIER -61.49 -50.52 80.0 Favored 'Isoleucine or valine' 0 C--N 1.373 1.621 0 C-N-CA 127.361 2.264 . . . . 0.0 112.711 169.87 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.574 HD21 HE22 ' A' ' 111' ' ' GLN . 9.0 mp -60.89 -46.79 89.22 Favored 'General case' 0 N--CA 1.501 2.1 0 CA-C-N 123.089 2.677 . . . . 0.0 115.092 175.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 72.6 tt0 -62.03 -34.56 76.46 Favored 'General case' 0 C--N 1.37 1.487 0 CA-C-O 117.023 -1.465 . . . . 0.0 113.033 175.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB2' ' CD2' ' A' ' 21' ' ' TYR . . . -69.23 -46.33 67.64 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 126.51 1.924 . . . . 0.0 114.349 171.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.56 HD11 ' CZ ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -50.4 -47.54 56.42 Favored 'General case' 0 C--N 1.384 2.08 0 C-N-CA 129.386 3.074 . . . . 0.0 113.691 178.557 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.529 0.2 OUTLIER -104.2 10.48 35.72 Favored 'General case' 0 C--N 1.37 1.467 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 172.055 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.449 ' HB3' ' O ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -75.92 -48.68 20.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 119.251 -2.155 . . . . 0.0 108.834 175.002 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER -126.07 137.49 30.26 Favored Pre-proline 0 C--N 1.353 0.722 0 N-CA-C 102.16 -3.274 . . . . 0.0 102.16 171.687 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.65 159.49 21.95 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 124.496 3.464 . . . . 0.0 112.732 -170.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.554 ' HB2' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -99.0 107.64 20.12 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-O 123.733 1.73 . . . . 0.0 109.659 178.831 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 34.9 ttp -143.56 131.06 21.08 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 -176.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -129.62 123.04 30.29 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 176.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 81.06 7.83 1.18 Allowed 'General case' 0 C--N 1.367 1.332 0 C-N-CA 130.916 3.686 . . . . 0.0 113.818 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 90.68 12.96 60.18 Favored Glycine 0 C--N 1.357 1.728 0 C-N-CA 125.474 1.511 . . . . 0.0 110.861 -170.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -109.36 125.04 51.94 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 124.118 0.967 . . . . 0.0 111.099 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.3 t -109.84 156.34 20.5 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 126.222 1.809 . . . . 0.0 108.523 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CD2' HD11 ' A' ' 64' ' ' ILE . 8.4 m-85 -121.16 159.1 26.54 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 102.116 -3.29 . . . . 0.0 102.116 -176.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.3 t -105.56 121.85 58.25 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.565 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.15 137.77 33.93 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 125.45 1.5 . . . . 0.0 114.155 -173.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -117.69 126.89 53.31 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 128.398 2.679 . . . . 0.0 106.215 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -126.66 143.52 51.2 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 120.648 -1.282 . . . . 0.0 110.057 -176.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 43.8 mt -90.55 -34.78 15.39 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 126.255 1.822 . . . . 0.0 110.813 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . 0.299 48.4 t 70.42 -59.54 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.398 0 C-N-CA 127.861 2.464 . . . . 0.0 116.172 174.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.4 tp -83.38 58.35 4.47 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 127.943 2.497 . . . . 0.0 113.821 -177.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -174.55 71.18 0.03 OUTLIER 'General case' 0 C--N 1.355 0.817 0 C-N-CA 126.082 1.753 . . . . 0.0 108.206 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.574 HE22 HD21 ' A' ' 87' ' ' LEU . 59.1 mt-30 -148.83 -60.06 0.23 Allowed 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 32.9 m -93.4 120.56 43.01 Favored 'Isoleucine or valine' 0 C--N 1.359 1.014 0 C-N-CA 126.379 1.872 . . . . 0.0 113.575 -174.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 32.2 mt -121.36 151.4 24.59 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 126.494 1.918 . . . . 0.0 106.438 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 25.5 m -89.87 129.72 36.2 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 127.862 2.465 . . . . 0.0 110.138 178.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -89.52 120.03 30.47 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 124.04 0.936 . . . . 0.0 110.382 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.3 t -70.97 -20.55 62.42 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 126.631 1.972 . . . . 0.0 115.206 -176.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -90.34 -11.67 39.97 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.682 1.593 . . . . 0.0 113.906 -179.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.35 -3.88 86.36 Favored Glycine 0 C--N 1.368 2.339 0 O-C-N 120.837 -1.164 . . . . 0.0 114.618 -176.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 60.8 t -80.66 149.88 4.94 Favored 'Isoleucine or valine' 0 C--N 1.358 0.945 1 C-N-CA 132.527 4.331 . . . . 0.0 109.602 179.155 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.8 t -48.88 152.05 1.11 Allowed 'General case' 0 C--N 1.365 1.269 0 C-N-CA 130.054 3.342 . . . . 0.0 118.478 -178.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -93.73 141.14 28.83 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.338 1.855 . . . . 0.0 115.322 -175.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -109.66 131.5 55.0 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 103.442 -2.799 . . . . 0.0 103.442 173.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -125.71 143.38 14.42 Favored Glycine 0 C--N 1.365 2.184 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 -171.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 17.4 tt -123.27 119.06 56.52 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.2 mp -109.9 113.62 44.72 Favored 'Isoleucine or valine' 0 C--N 1.359 0.988 0 N-CA-C 106.233 -1.765 . . . . 0.0 106.233 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -114.27 131.21 56.58 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 125.04 1.336 . . . . 0.0 108.288 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 15.3 t -123.55 143.89 35.12 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 174.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -119.27 139.0 52.63 Favored 'General case' 0 C--N 1.36 1.058 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 173.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.33 137.32 38.79 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 -174.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 28.4 m -124.49 140.53 52.86 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 124.606 1.162 . . . . 0.0 112.15 -177.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.2 pt -109.08 119.5 58.72 Favored 'Isoleucine or valine' 0 C--N 1.367 1.331 0 O-C-N 120.599 -1.313 . . . . 0.0 109.039 172.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -93.9 -4.47 49.85 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 125.379 1.472 . . . . 0.0 111.552 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -139.06 132.01 29.41 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 127.08 2.152 . . . . 0.0 105.294 178.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -127.4 -77.01 0.57 Allowed 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.99 1.716 . . . . 0.0 107.839 -179.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 18.6 m -107.83 90.32 3.26 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.867 -1.146 . . . . 0.0 108.77 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 1.739 0 C-N-CA 125.719 1.628 . . . . 0.0 110.642 -178.788 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.441 -0.897 0 CA-C-O 122.855 1.312 . . . . 0.0 107.778 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -74.52 58.15 2.48 Favored Glycine 0 C--N 1.363 2.035 0 C-N-CA 129.36 3.362 . . . . 0.0 114.392 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 83.1 mt -103.96 158.4 16.44 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 127.582 2.353 . . . . 0.0 109.475 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -86.75 106.02 17.38 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 172.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.8 p -77.05 -12.02 59.88 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 126.39 1.876 . . . . 0.0 115.524 -173.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.5 p90 -109.36 114.08 27.45 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 122.796 1.284 . . . . 0.0 108.471 175.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -71.96 -13.13 61.54 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 128.092 2.557 . . . . 0.0 113.046 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.4 tp -68.8 -24.09 64.36 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 130.866 3.666 . . . . 0.0 111.279 171.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.95 -37.89 83.94 Favored 'General case' 0 C--N 1.378 1.844 0 C-N-CA 127.233 2.213 . . . . 0.0 113.375 175.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.9 p -58.66 -47.78 83.32 Favored 'General case' 0 C--N 1.366 1.306 0 C-N-CA 126.533 1.933 . . . . 0.0 114.105 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.428 16.1 ptm180 -72.85 -36.51 67.46 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 128.858 2.863 . . . . 0.0 115.124 169.357 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.14 -23.6 5.71 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 126.461 1.904 . . . . 0.0 113.919 169.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.439 HD12 HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -61.61 -32.87 73.02 Favored 'General case' 0 C--N 1.37 1.495 0 N-CA-C 115.96 1.837 . . . . 0.0 115.96 164.198 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.419 ' N ' HD13 ' A' ' 10' ' ' LEU 0.263 5.2 tp60 -70.61 -37.76 73.89 Favored 'General case' 0 C--N 1.372 1.548 0 C-N-CA 126.926 2.09 . . . . 0.0 109.818 173.686 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.03 -32.6 74.16 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 167.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.53 -34.15 67.37 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 119.676 -1.89 . . . . 0.0 113.129 170.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.4 m -70.91 -37.23 72.94 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.935 2.494 . . . . 0.0 110.795 172.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.12 -31.41 44.55 Favored 'Isoleucine or valine' 0 C--N 1.364 1.229 0 O-C-N 119.45 -2.031 . . . . 0.0 111.935 171.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -70.56 -29.55 66.03 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 124.722 1.209 . . . . 0.0 112.539 169.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.01 -45.43 93.64 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 126.925 2.09 . . . . 0.0 111.073 166.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.52 -34.48 74.17 Favored 'General case' 0 C--N 1.364 1.239 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 171.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -77.33 -22.86 51.2 Favored 'General case' 0 C--N 1.367 1.341 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 169.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.3 m -82.0 -31.59 31.0 Favored 'General case' 0 C--N 1.37 1.475 0 C-N-CA 125.559 1.544 . . . . 0.0 112.612 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -72.38 96.12 1.84 Allowed 'General case' 0 C--N 1.358 0.96 0 C-N-CA 126.732 2.013 . . . . 0.0 113.43 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.309 5.8 pt20 -40.44 -46.85 6.12 Favored Pre-proline 0 C--N 1.366 1.296 0 N-CA-C 120.204 3.409 . . . . 0.0 120.204 -177.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -66.32 -28.21 47.25 Favored 'Trans proline' 0 C--N 1.361 1.228 0 CA-C-N 127.715 3.791 . . . . 0.0 116.271 168.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.608 0.4 OUTLIER -82.51 -20.79 36.02 Favored 'General case' 0 C--N 1.387 2.199 0 CA-C-N 123.656 2.935 . . . . 0.0 114.133 -173.271 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 50.6 mmm -63.87 -27.95 69.51 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 129.817 3.247 . . . . 0.0 113.821 170.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -83.92 -28.18 28.06 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 127.171 2.188 . . . . 0.0 112.211 174.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 18.5 mmt -87.49 -46.29 9.73 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 126.462 1.905 . . . . 0.0 112.68 178.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.433 HG13 HG21 ' A' ' 82' ' ' ILE . 9.4 m -122.69 140.91 45.04 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 N-CA-C 100.724 -3.806 . . . . 0.0 100.724 169.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -104.32 -24.64 13.07 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 125.862 2.744 . . . . 0.0 112.201 175.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.421 ' HB3' ' HB2' ' A' ' 43' ' ' TYR 0.257 7.5 mm-40 -97.51 38.17 1.3 Allowed 'General case' 0 N--CA 1.43 -1.438 1 C-N-CA 136.95 6.1 . . . . 0.0 112.475 -169.496 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.5 p -87.38 107.73 17.47 Favored 'Isoleucine or valine' 0 C--N 1.357 0.916 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.2 t -132.86 156.19 47.63 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 123.304 1.526 . . . . 0.0 112.193 -168.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -98.34 -22.47 16.08 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.889 2.075 . . . . 0.0 113.518 -176.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.283 14.4 m -156.66 -73.05 0.02 OUTLIER Pre-proline 0 CA--C 1.509 -0.623 0 CA-C-O 115.028 -2.415 . . . . 0.0 108.274 178.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -72.48 138.23 29.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 124.264 3.309 . . . . 0.0 114.215 -177.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 118.58 10.02 8.86 Favored Glycine 0 C--N 1.359 1.829 0 O-C-N 121.216 -0.928 . . . . 0.0 111.772 171.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -17.95 61.88 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 126.644 1.978 . . . . 0.0 115.843 -174.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -100.96 15.58 28.16 Favored 'General case' 0 C--N 1.364 1.199 0 C-N-CA 128.505 2.722 . . . . 0.0 112.253 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -88.12 154.52 52.12 Favored Pre-proline 0 C--N 1.367 1.341 0 C-N-CA 125.66 1.584 . . . . 0.0 110.095 176.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.96 148.8 25.27 Favored 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 123.875 3.05 . . . . 0.0 116.055 -169.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -61.62 135.11 94.01 Favored Pre-proline 0 C--N 1.365 1.24 1 C-N-CA 131.944 4.098 . . . . 0.0 116.107 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -80.44 148.63 77.36 Favored 'Cis proline' 0 C--N 1.355 0.898 0 CA-C-N 123.945 2.445 . . . . 0.0 115.288 5.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.421 ' HB2' ' HB3' ' A' ' 30' ' ' GLN . 18.8 p90 -172.63 168.65 5.2 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 124.427 1.091 . . . . 0.0 112.915 177.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.5 t -128.66 138.17 55.33 Favored 'Isoleucine or valine' 0 C--N 1.391 2.401 0 CA-C-O 122.391 1.091 . . . . 0.0 111.85 177.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.464 HG22 ' CH2' ' A' ' 71' ' ' TRP . 26.3 m -126.08 152.19 33.11 Favored 'Isoleucine or valine' 0 C--N 1.36 1.064 0 O-C-N 121.083 -1.011 . . . . 0.0 108.959 174.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 46' ' ' ILE . 37.4 mm -88.98 139.1 17.92 Favored 'Isoleucine or valine' 0 C--N 1.371 1.539 0 C-N-CA 125.342 1.457 . . . . 0.0 107.853 167.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.81 -154.17 6.5 Favored Glycine 0 C--N 1.35 1.349 0 N-CA-C 106.743 -2.543 . . . . 0.0 106.743 174.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -146.57 145.19 30.02 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 175.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -121.17 125.05 46.21 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 124.938 1.295 . . . . 0.0 108.009 -177.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.6 m 68.03 47.21 1.09 Allowed 'General case' 0 C--N 1.362 1.137 0 C-N-CA 127.254 2.221 . . . . 0.0 116.617 175.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.8 p -82.52 60.96 5.42 Favored 'General case' 0 C--N 1.358 0.96 0 O-C-N 119.093 -2.255 . . . . 0.0 112.109 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.281 23.2 m -177.63 -75.68 0.0 OUTLIER Pre-proline 0 C--N 1.349 0.557 0 C-N-CA 129.19 2.996 . . . . 0.0 106.244 179.021 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -79.87 115.25 3.28 Favored 'Trans proline' 0 C--N 1.367 1.541 0 CA-C-N 126.725 3.437 . . . . 0.0 111.727 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.63 139.79 52.91 Favored 'General case' 0 C--N 1.357 0.917 0 O-C-N 121.135 -0.978 . . . . 0.0 112.539 -176.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.86 2.06 32.1 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 127.951 2.501 . . . . 0.0 114.8 179.074 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.8 t -149.36 129.67 13.76 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 104.007 -2.59 . . . . 0.0 104.007 176.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -96.73 68.76 2.44 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 120.529 -1.357 . . . . 0.0 110.587 -177.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.66 65.6 2.47 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 126.92 2.088 . . . . 0.0 115.862 -175.347 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.4 m -107.16 67.69 0.7 Allowed 'General case' 0 C--N 1.36 1.029 0 C-N-CA 125.647 1.579 . . . . 0.0 111.441 177.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -146.99 112.99 5.79 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 126.5 1.92 . . . . 0.0 106.408 177.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.88 -85.73 1.44 Allowed Glycine 0 C--N 1.357 1.713 0 C-N-CA 126.133 1.825 . . . . 0.0 116.76 173.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 170.92 118.67 0.01 OUTLIER 'General case' 0 C--N 1.353 0.722 0 C-N-CA 128.106 2.562 . . . . 0.0 107.166 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -117.89 165.96 13.06 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.439 HG21 HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -108.45 127.68 64.64 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 103.699 -2.704 . . . . 0.0 103.699 178.865 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.8 p -127.39 117.17 21.66 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 177.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . 0.313 1.2 ttt -155.11 162.26 41.05 Favored 'General case' 0 C--N 1.372 1.578 0 CA-C-N 120.682 1.583 . . . . 0.0 114.796 -177.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -131.13 151.88 50.99 Favored 'General case' 0 C--N 1.367 1.33 0 CA-C-O 122.555 1.169 . . . . 0.0 112.927 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.296 0.0 OUTLIER -124.34 130.93 53.38 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 128.03 2.532 . . . . 0.0 104.995 167.757 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -112.5 119.12 37.12 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 102.82 -3.029 . . . . 0.0 102.82 -174.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.79 117.33 50.77 Favored 'Isoleucine or valine' 0 C--N 1.364 1.232 0 N-CA-C 103.695 -2.706 . . . . 0.0 103.695 -170.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.464 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -130.49 131.99 45.41 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 115.796 -2.362 . . . . 0.0 107.554 -176.777 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.32 145.17 16.15 Favored Glycine 0 C--N 1.36 1.909 0 O-C-N 121.28 -0.887 . . . . 0.0 112.836 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -123.72 -178.73 15.52 Favored Glycine 0 C--N 1.349 1.259 0 N-CA-C 106.085 -2.806 . . . . 0.0 106.085 175.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.264 6.2 m 74.17 -61.37 0.5 Allowed 'General case' 0 C--N 1.356 0.851 0 C-N-CA 127.697 2.399 . . . . 0.0 114.591 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.6 p -131.67 157.2 44.36 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 125.032 1.333 . . . . 0.0 108.201 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.544 ' HD2' ' H ' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -66.59 -35.27 79.79 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 128.784 2.834 . . . . 0.0 114.153 175.181 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.83 -35.55 74.87 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 129.96 3.304 . . . . 0.0 113.867 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -62.35 -36.12 81.24 Favored 'General case' 0 C--N 1.366 1.288 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.37 75.67 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 127.862 2.465 . . . . 0.0 114.399 175.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -76.95 -40.86 45.49 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 128.344 2.658 . . . . 0.0 111.26 174.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -64.28 -48.79 74.36 Favored 'General case' 0 C--N 1.376 1.726 0 C-N-CA 127.006 2.122 . . . . 0.0 110.361 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.433 HG21 HG13 ' A' ' 28' ' ' VAL 0.343 4.2 pt -61.6 -37.92 79.04 Favored 'Isoleucine or valine' 0 C--N 1.373 1.622 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 172.515 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . 0.353 2.4 p -68.71 -49.66 57.1 Favored 'General case' 0 C--N 1.374 1.666 0 O-C-N 119.91 -1.744 . . . . 0.0 114.157 170.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.5 t -57.53 -41.7 81.44 Favored 'General case' 0 C--N 1.377 1.792 0 C-N-CA 128.264 2.626 . . . . 0.0 113.577 172.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -74.28 -31.58 62.58 Favored 'General case' 0 C--N 1.371 1.505 0 C-N-CA 125.799 1.64 . . . . 0.0 113.262 173.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.254 1.2 t -63.59 -47.07 93.06 Favored 'Isoleucine or valine' 0 C--N 1.383 2.051 0 CA-C-N 121.876 2.126 . . . . 0.0 111.599 172.266 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.69 -43.27 99.25 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 125.92 1.688 . . . . 0.0 112.866 176.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 52.4 tt0 -61.33 -33.73 74.09 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 125.961 1.704 . . . . 0.0 113.416 170.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.17 -50.83 29.1 Favored 'General case' 0 C--N 1.377 1.766 0 C-N-CA 127.824 2.449 . . . . 0.0 112.192 171.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 67.6 mt -51.26 -26.44 7.25 Favored 'General case' 0 C--N 1.383 2.03 0 C-N-CA 128.522 2.729 . . . . 0.0 116.048 175.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 1.274 0.1 OUTLIER -111.45 12.91 21.47 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 120.361 3.467 . . . . 0.0 120.361 162.485 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -91.83 -50.58 5.65 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 120.732 -1.23 . . . . 0.0 109.807 175.914 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.45 139.31 20.2 Favored Pre-proline 0 C--N 1.366 1.322 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.55 149.57 21.32 Favored 'Trans proline' 0 C--N 1.363 1.334 0 C-N-CA 124.895 3.73 . . . . 0.0 111.16 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.4 mt -92.9 109.03 20.47 Favored 'General case' 0 C--N 1.363 1.176 0 CA-C-O 123.34 1.543 . . . . 0.0 114.931 -172.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 26.9 ttm -143.8 139.35 29.31 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 124.607 1.163 . . . . 0.0 110.269 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -123.4 107.64 11.84 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . 0.347 11.3 pt-20 55.93 16.64 2.2 Favored 'General case' 0 C--N 1.357 0.896 1 C-N-CA 134.431 5.092 . . . . 0.0 117.526 176.762 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 122.25 -10.25 9.37 Favored Glycine 0 C--N 1.348 1.242 0 C-N-CA 126.602 2.048 . . . . 0.0 110.476 -175.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -93.18 126.97 38.56 Favored 'General case' 0 C--N 1.364 1.225 0 CA-C-N 119.026 1.413 . . . . 0.0 110.378 -178.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.0 m -102.49 140.52 36.65 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 124.962 1.305 . . . . 0.0 112.183 -175.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.423 ' CE1' ' HB2' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -134.74 143.68 47.29 Favored 'General case' 0 C--N 1.363 1.164 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 179.649 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.1 t -107.39 129.04 61.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 C-N-CA 125.826 1.65 . . . . 0.0 107.757 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.21 138.61 32.24 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 127.541 2.336 . . . . 0.0 114.745 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -98.14 96.45 8.12 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 127.688 2.395 . . . . 0.0 110.968 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -86.61 161.86 18.28 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 125.533 1.533 . . . . 0.0 111.431 175.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.0 mt -118.5 27.81 8.71 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 125.458 1.503 . . . . 0.0 109.972 -179.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . 0.285 16.2 t 68.46 80.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.366 1.306 0 C-N-CA 129.932 3.293 . . . . 0.0 115.236 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . 0.323 62.6 mt 78.94 -138.38 0.02 OUTLIER 'General case' 0 C--N 1.366 1.303 0 C-N-CA 128.276 2.631 . . . . 0.0 115.842 177.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . 0.258 . . 126.51 86.95 0.0 OUTLIER 'General case' 0 C--N 1.374 1.66 0 C-N-CA 130.327 3.451 . . . . 0.0 113.89 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -108.01 146.91 31.84 Favored 'General case' 0 C--N 1.36 1.051 0 O-C-N 119.959 -1.713 . . . . 0.0 108.09 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 p -107.72 130.24 60.42 Favored 'Isoleucine or valine' 0 C--N 1.36 1.064 0 C-N-CA 125.19 1.396 . . . . 0.0 108.717 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 31.7 mt -108.09 139.76 29.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 C-N-CA 126.26 1.824 . . . . 0.0 107.596 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 9.3 m -71.52 142.6 50.11 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 130.032 3.333 . . . . 0.0 115.61 -176.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -86.0 155.42 20.87 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 127.213 2.205 . . . . 0.0 112.321 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.85 -21.33 64.28 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 129.542 3.137 . . . . 0.0 116.363 -178.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -90.03 -22.31 21.93 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 126.563 1.945 . . . . 0.0 112.26 176.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 84.28 41.25 8.05 Favored Glycine 0 C--N 1.363 2.05 0 C-N-CA 125.547 1.546 . . . . 0.0 116.043 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 t -97.67 122.23 49.03 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 C-N-CA 124.882 1.273 . . . . 0.0 110.228 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.5 m -65.51 118.58 9.65 Favored 'General case' 0 C--N 1.362 1.112 0 N-CA-C 116.39 1.996 . . . . 0.0 116.39 -175.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -99.04 126.62 44.8 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 125.27 1.428 . . . . 0.0 111.997 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -98.14 146.9 25.12 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 128.66 2.784 . . . . 0.0 108.438 175.029 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -118.16 147.62 18.6 Favored Glycine 0 C--N 1.357 1.717 0 C-N-CA 124.721 1.153 . . . . 0.0 111.498 -174.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 16.2 tt -120.02 116.63 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 N-CA-C 103.333 -2.839 . . . . 0.0 103.333 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.0 mp -114.63 114.54 46.88 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 -177.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -108.89 136.76 47.91 Favored 'General case' 0 C--N 1.362 1.133 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 175.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 73.2 t -131.15 151.53 35.96 Favored 'Isoleucine or valine' 0 C--O 1.244 0.79 0 N-CA-C 104.223 -2.51 . . . . 0.0 104.223 175.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.22 140.06 50.36 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 103.588 -2.745 . . . . 0.0 103.588 173.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -126.25 147.32 49.71 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 103.403 -2.814 . . . . 0.0 103.403 -173.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 20.5 m -136.04 143.32 44.64 Favored 'General case' 0 CA--C 1.5 -0.978 0 O-C-N 120.334 -1.479 . . . . 0.0 108.033 -174.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 11.9 pt -85.22 111.69 21.07 Favored 'Isoleucine or valine' 0 C--N 1.367 1.336 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 171.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . 0.266 21.3 t-20 84.41 77.51 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 C-N-CA 127.22 2.208 . . . . 0.0 112.966 -175.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.62 123.3 26.13 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 103.282 -2.858 . . . . 0.0 103.282 172.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -87.29 -41.81 13.39 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 124.989 1.315 . . . . 0.0 113.301 -175.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 67.3 p -109.62 102.83 11.63 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 124.785 1.234 . . . . 0.0 109.909 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.644 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 177.767 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 12.3 mp0 . . . . . 0 N--CA 1.437 -1.094 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -88.4 122.15 6.23 Favored Glycine 0 C--N 1.361 1.96 0 C-N-CA 125.899 1.714 . . . . 0.0 113.753 -177.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . 0.338 11.1 tp 77.58 40.83 0.15 Allowed 'General case' 0 C--N 1.363 1.172 0 C-N-CA 128.652 2.781 . . . . 0.0 115.907 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -130.86 63.85 1.58 Allowed 'General case' 0 C--N 1.36 1.025 0 C-N-CA 126.031 1.732 . . . . 0.0 107.798 173.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.9 t -89.85 122.27 32.75 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 125.8 1.64 . . . . 0.0 108.904 176.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -138.55 157.5 46.04 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 126.061 1.744 . . . . 0.0 107.87 -175.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -61.13 -24.23 66.12 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 128.726 2.81 . . . . 0.0 115.629 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.2 tp -72.54 -41.43 65.81 Favored 'General case' 0 C--N 1.368 1.385 0 C-N-CA 126.451 1.9 . . . . 0.0 112.474 175.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.09 -51.58 37.17 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 126.377 1.871 . . . . 0.0 113.679 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.44 ' O ' HD12 ' A' ' 10' ' ' LEU . 60.7 p -58.18 -47.39 83.56 Favored 'General case' 0 C--N 1.375 1.691 0 O-C-N 119.912 -1.742 . . . . 0.0 114.056 178.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.787 0.4 OUTLIER -61.7 -34.9 76.58 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 129.831 3.252 . . . . 0.0 115.574 168.905 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.61 -22.61 3.46 Favored 'General case' 0 CA--C 1.568 1.638 0 O-C-N 118.293 -2.754 . . . . 0.0 114.269 163.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.66 HD22 HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -55.72 -32.54 63.43 Favored 'General case' 0 N--CA 1.509 2.518 0 N-CA-C 117.461 2.393 . . . . 0.0 117.461 161.066 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.495 ' N ' HD13 ' A' ' 10' ' ' LEU 0.255 0.1 OUTLIER -70.2 -37.35 75.08 Favored 'General case' 0 C--N 1.375 1.676 0 C-N-CA 130.462 3.505 . . . . 0.0 110.408 173.076 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -63.05 -36.6 84.11 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 170.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.08 -32.63 67.22 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 125.91 1.684 . . . . 0.0 112.986 170.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 m -68.42 -42.12 79.41 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 128.022 2.529 . . . . 0.0 112.217 172.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.4 29.2 m -70.37 -30.58 43.64 Favored 'Isoleucine or valine' 0 C--N 1.385 2.152 0 O-C-N 119.637 -1.914 . . . . 0.0 112.181 169.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 30.9 tt0 -70.07 -35.44 74.22 Favored 'General case' 0 C--N 1.378 1.839 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 170.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . 0.447 8.4 p30 -70.43 -34.31 72.33 Favored 'General case' 0 C--N 1.369 1.447 0 O-C-N 120.196 -1.565 . . . . 0.0 113.728 170.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.68 -40.4 95.34 Favored 'General case' 0 C--N 1.376 1.739 0 C-N-CA 125.45 1.5 . . . . 0.0 113.218 168.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 8.4 pt-20 -84.61 -24.14 29.26 Favored 'General case' 0 C--N 1.376 1.727 0 CA-C-N 119.949 1.249 . . . . 0.0 114.298 177.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 t -78.75 -32.84 46.82 Favored 'General case' 0 C--N 1.374 1.672 0 CA-C-N 120.087 1.312 . . . . 0.0 111.131 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.415 ' CD2' ' HB2' ' A' ' 89' ' ' ALA . 20.6 t80 -70.01 97.18 1.12 Allowed 'General case' 0 C--N 1.364 1.232 0 C-N-CA 126.446 1.899 . . . . 0.0 114.479 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.336 6.0 pt20 -40.65 -43.05 3.85 Favored Pre-proline 0 C--N 1.362 1.143 0 N-CA-C 120.778 3.621 . . . . 0.0 120.778 -177.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -66.12 -28.34 48.77 Favored 'Trans proline' 0 CA--C 1.549 1.251 0 C-N-CA 124.567 3.512 . . . . 0.0 116.567 168.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.567 ' HG ' HH11 ' A' ' 85' ' ' ARG . 4.3 tt -79.41 -37.76 36.4 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 125.705 1.602 . . . . 0.0 113.947 -170.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.6 ptm -63.97 -28.5 69.86 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 128.5 2.72 . . . . 0.0 114.823 176.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -85.94 -12.39 50.65 Favored 'General case' 0 C--N 1.361 1.098 0 C-N-CA 126.34 1.856 . . . . 0.0 112.08 173.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 18.9 tpp -102.63 -27.8 12.52 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 127.657 2.383 . . . . 0.0 115.781 -176.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.547 HG21 HG12 ' A' ' 44' ' ' VAL 0.252 0.6 OUTLIER -121.54 145.59 27.9 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 -177.324 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -102.76 -11.63 18.2 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 119.706 -1.871 . . . . 0.0 112.073 173.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.539 ' HB2' ' HB2' ' A' ' 43' ' ' TYR 0.649 32.9 mm-40 -136.36 40.17 2.65 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 120.367 3.469 . . . . 0.0 120.367 -152.668 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.423 ' HA ' HG13 ' A' ' 44' ' ' VAL . 3.6 p -86.6 108.79 18.19 Favored 'Isoleucine or valine' 0 C--N 1.373 1.618 0 CA-C-O 125.607 2.622 . . . . 0.0 108.222 177.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.6 t -146.04 170.91 15.71 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 110.884 -2.871 . . . . 0.0 108.822 -170.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.51 5.4 10.63 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 126.734 2.014 . . . . 0.0 109.565 177.257 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.2 m -120.43 153.75 56.3 Favored Pre-proline 0 C--N 1.36 1.04 0 C-N-CA 125.827 1.651 . . . . 0.0 107.977 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -63.88 165.14 19.56 Favored 'Trans proline' 0 C--N 1.371 1.712 1 C-N-CA 126.579 4.853 . . . . 0.0 119.069 -174.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.47 49.55 0.04 OUTLIER Glycine 0 C--N 1.377 2.845 0 CA-C-O 121.381 0.434 . . . . 0.0 113.576 -175.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.675 ' HD2' ' H ' ' A' ' 37' ' ' LYS . 2.2 mptt -62.1 -17.24 57.01 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 129.518 3.127 . . . . 0.0 116.375 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -94.92 -2.74 49.97 Favored 'General case' 0 N--CA 1.441 -0.892 1 C-N-CA 132.853 4.461 . . . . 0.0 113.125 179.108 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -90.11 167.1 17.78 Favored Pre-proline 0 C--N 1.366 1.286 0 C-N-CA 125.361 1.464 . . . . 0.0 109.996 176.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -68.37 143.34 57.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 C-N-CA 124.086 3.191 . . . . 0.0 115.154 -176.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -97.86 141.72 23.43 Favored Pre-proline 0 C--N 1.361 1.107 0 C-N-CA 126.859 2.063 . . . . 0.0 109.092 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -81.25 149.41 75.33 Favored 'Cis proline' 0 C--N 1.359 1.121 0 CA-C-N 122.848 2.053 . . . . 0.0 112.846 0.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.539 ' HB2' ' HB2' ' A' ' 30' ' ' GLN . 6.3 p90 -156.29 167.25 31.02 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 124.976 1.31 . . . . 0.0 113.032 -176.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.547 HG12 HG21 ' A' ' 28' ' ' VAL . 9.8 p -135.28 137.89 49.4 Favored 'Isoleucine or valine' 0 C--N 1.402 2.884 0 CA-C-O 125.971 2.796 . . . . 0.0 118.112 -175.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.4 ' HB ' ' CH2' ' A' ' 71' ' ' TRP . 1.0 OUTLIER -117.05 130.77 71.42 Favored 'Isoleucine or valine' 0 C--N 1.362 1.147 0 C-N-CA 128.536 2.735 . . . . 0.0 109.196 173.208 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.3 mt -108.52 136.56 43.79 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 C-N-CA 125.566 1.546 . . . . 0.0 107.833 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -167.07 -133.06 1.47 Allowed Glycine 0 C--N 1.353 1.519 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -146.34 162.71 37.56 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 126.27 1.828 . . . . 0.0 106.477 176.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.95 126.07 36.89 Favored 'General case' 0 C--N 1.366 1.283 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 171.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . 0.364 95.9 p 82.76 61.12 0.01 OUTLIER 'General case' 0 C--N 1.36 1.063 0 C-N-CA 127.033 2.133 . . . . 0.0 112.894 -175.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.3 t -76.61 64.53 2.27 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.102 2.161 . . . . 0.0 114.568 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.9 m -156.41 108.95 2.04 Favored Pre-proline 0 C--N 1.35 0.598 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -74.54 138.52 24.37 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 124.04 3.16 . . . . 0.0 113.632 -175.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -135.89 150.58 49.41 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 127.698 2.399 . . . . 0.0 105.362 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . 0.264 52.7 mm-40 86.2 90.57 0.02 OUTLIER 'General case' 0 C--N 1.362 1.13 0 C-N-CA 127.939 2.495 . . . . 0.0 110.804 -176.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.9 t -123.51 159.26 29.49 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 125.405 1.482 . . . . 0.0 108.795 -178.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . 0.266 49.5 tttp 93.34 45.5 0.0 OUTLIER 'General case' 0 C--N 1.361 1.104 0 C-N-CA 131.209 3.804 . . . . 0.0 111.355 -175.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.9 t 173.77 -153.2 0.01 OUTLIER 'General case' 0 C--N 1.364 1.233 0 N-CA-C 103.308 -2.849 . . . . 0.0 103.308 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.0 m -154.66 114.34 3.76 Favored 'General case' 0 C--N 1.36 1.042 0 CA-C-N 121.08 1.764 . . . . 0.0 111.709 175.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -75.41 42.14 0.2 Allowed 'General case' 0 C--N 1.369 1.444 0 C-N-CA 128.05 2.54 . . . . 0.0 115.575 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -101.18 63.98 0.53 Allowed Glycine 0 C--N 1.361 1.945 0 C-N-CA 128.024 2.726 . . . . 0.0 110.549 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -133.11 -6.15 3.05 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 126.601 1.96 . . . . 0.0 110.484 -178.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -151.62 172.73 15.61 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 102.643 -3.095 . . . . 0.0 102.643 178.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.6 tp -142.72 122.48 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 N-CA-C 102.009 -3.33 . . . . 0.0 102.009 -174.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.7 m -113.73 135.91 53.42 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 125.207 1.403 . . . . 0.0 107.522 -177.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 mtp -131.53 152.12 51.01 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 125.786 1.634 . . . . 0.0 109.405 -178.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -147.8 139.74 24.1 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 170.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -111.19 129.4 55.96 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 104.09 -2.559 . . . . 0.0 104.09 173.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -121.66 118.63 29.64 Favored 'General case' 0 CA--C 1.493 -1.244 0 N-CA-C 104.818 -2.29 . . . . 0.0 104.818 176.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -122.41 134.43 65.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 -174.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.4 ' CH2' ' HB ' ' A' ' 45' ' ' VAL . 2.8 m-90 -123.84 114.72 20.24 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 119.341 -0.944 . . . . 0.0 108.562 176.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.01 173.69 15.05 Favored Glycine 0 C--N 1.359 1.819 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 175.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -139.61 145.84 17.12 Favored Glycine 0 C--N 1.348 1.219 0 N-CA-C 106.124 -2.791 . . . . 0.0 106.124 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.287 87.1 m 143.89 -70.92 0.0 OUTLIER 'General case' 0 C--N 1.354 0.779 0 C-N-CA 130.281 3.433 . . . . 0.0 107.149 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.1 m -162.34 170.46 18.85 Favored 'General case' 0 C--N 1.362 1.131 0 O-C-N 119.354 -2.091 . . . . 0.0 106.337 -178.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -55.38 -34.82 64.67 Favored 'General case' 0 C--N 1.366 1.308 1 C-N-CA 132.552 4.341 . . . . 0.0 114.323 173.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.76 -35.32 61.15 Favored 'General case' 0 C--N 1.372 1.565 0 C-N-CA 130.114 3.366 . . . . 0.0 114.149 175.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -58.45 -32.24 68.53 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 129.351 3.06 . . . . 0.0 114.012 173.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.05 -30.75 71.85 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 126.618 1.967 . . . . 0.0 114.123 175.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -74.24 -43.01 58.76 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 128.58 2.752 . . . . 0.0 111.182 174.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -67.34 -48.22 68.14 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 129.112 2.965 . . . . 0.0 115.583 174.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.435 HG22 ' HE ' ' A' ' 85' ' ' ARG . 5.7 pt -69.68 -38.36 76.13 Favored 'Isoleucine or valine' 0 C--N 1.374 1.657 0 C-N-CA 125.875 1.67 . . . . 0.0 112.97 177.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.6 m -66.19 -38.43 88.0 Favored 'General case' 0 C--N 1.378 1.811 0 C-N-CA 125.202 1.401 . . . . 0.0 111.384 173.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.5 m -61.59 -45.71 92.97 Favored 'General case' 0 C--N 1.377 1.777 0 C-N-CA 127.036 2.134 . . . . 0.0 113.634 172.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.567 HH11 ' HG ' ' A' ' 24' ' ' LEU 0.321 33.6 ptt85 -65.88 -46.08 79.72 Favored 'General case' 0 C--N 1.379 1.864 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 174.71 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.271 33.3 m -61.64 -38.68 80.86 Favored 'Isoleucine or valine' 0 C--N 1.385 2.115 0 CA-C-N 120.773 1.624 . . . . 0.0 114.657 174.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.55 -46.61 59.02 Favored 'General case' 0 C--N 1.373 1.598 0 C-N-CA 129.256 3.022 . . . . 0.0 113.916 174.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -66.64 -33.66 76.14 Favored 'General case' 0 C--N 1.376 1.725 0 O-C-N 119.749 -1.844 . . . . 0.0 113.951 174.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.415 ' HB2' ' CD2' ' A' ' 21' ' ' TYR . . . -65.23 -49.6 69.05 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 126.306 1.842 . . . . 0.0 111.088 168.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.258 3.4 tt -49.77 -41.44 44.18 Favored 'General case' 0 C--N 1.373 1.602 0 C-N-CA 128.832 2.853 . . . . 0.0 116.184 177.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.355 0.2 OUTLIER -104.71 9.39 35.09 Favored 'General case' 0 C--N 1.365 1.246 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 170.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.28 -52.05 11.79 Favored 'General case' 0 C--N 1.367 1.367 0 O-C-N 119.713 -1.867 . . . . 0.0 106.938 176.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.31 0.0 OUTLIER -121.5 104.44 40.01 Favored Pre-proline 0 C--N 1.352 0.682 0 N-CA-C 103.734 -2.691 . . . . 0.0 103.734 171.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.17 156.94 51.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 123.547 2.831 . . . . 0.0 114.326 -167.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.66 HD13 HD22 ' A' ' 10' ' ' LEU . 5.0 mt -67.52 108.41 2.83 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 127.618 2.367 . . . . 0.0 114.936 -174.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 52.4 ttm -144.3 140.57 29.25 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 120.666 -1.271 . . . . 0.0 112.254 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -135.17 108.37 7.73 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 175.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 66.87 18.1 10.6 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 129.961 3.305 . . . . 0.0 115.817 173.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 102.67 -5.78 51.59 Favored Glycine 0 C--N 1.351 1.402 0 C-N-CA 125.698 1.618 . . . . 0.0 111.141 -171.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -87.49 129.43 35.07 Favored 'General case' 0 C--N 1.367 1.367 0 O-C-N 120.638 -1.507 . . . . 0.0 108.625 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.4 p -102.86 150.06 23.88 Favored 'General case' 0 C--N 1.363 1.157 0 CA-C-O 123.557 1.646 . . . . 0.0 112.91 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 10' ' ' LEU . 13.1 m-85 -122.82 115.62 22.32 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 101.378 -3.564 . . . . 0.0 101.378 177.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 81.5 t -106.45 128.11 61.27 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.73 0 C-N-CA 130.008 3.323 . . . . 0.0 105.967 -171.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.21 137.57 35.86 Favored 'General case' 0 C--N 1.363 1.17 0 N-CA-C 116.979 2.214 . . . . 0.0 116.979 -170.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -112.42 128.52 56.33 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 127.232 2.213 . . . . 0.0 107.148 175.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -106.12 153.18 22.44 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 126.346 1.859 . . . . 0.0 113.711 -177.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.0 tp -151.96 159.84 43.66 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 104.854 -2.276 . . . . 0.0 104.854 178.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 28.0 m -74.09 -13.16 15.68 Favored 'Isoleucine or valine' 0 C--N 1.366 1.313 0 N-CA-C 119.067 2.988 . . . . 0.0 119.067 -173.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . 0.512 0.6 OUTLIER 82.84 150.95 0.09 Allowed 'General case' 0 C--N 1.353 0.741 0 C-N-CA 129.08 2.952 . . . . 0.0 117.432 179.086 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.82 127.88 49.66 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 127.113 2.165 . . . . 0.0 106.92 175.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -121.25 117.28 26.64 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 126.101 1.76 . . . . 0.0 111.784 -176.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.9 p -128.31 127.66 67.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.099 0 N-CA-C 106.069 -1.826 . . . . 0.0 106.069 170.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 67.2 mt -119.55 116.41 50.62 Favored 'Isoleucine or valine' 0 C--N 1.363 1.163 0 N-CA-C 104.342 -2.466 . . . . 0.0 104.342 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.2 t -121.59 109.53 14.89 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 106.487 -1.671 . . . . 0.0 106.487 176.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -138.02 152.34 48.77 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 124.78 1.232 . . . . 0.0 108.124 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.2 m -61.0 -40.58 94.09 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 130.359 3.464 . . . . 0.0 116.21 -178.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -90.68 -12.23 37.37 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 126.404 1.881 . . . . 0.0 111.41 173.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.72 -6.33 83.6 Favored Glycine 0 C--N 1.354 1.555 1 C-N-CA 131.599 4.428 . . . . 0.0 120.143 174.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.9 m -129.38 99.64 4.83 Favored 'Isoleucine or valine' 0 C--N 1.362 1.143 0 CA-C-N 121.727 2.764 . . . . 0.0 110.59 172.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.32 144.39 25.58 Favored 'General case' 0 C--N 1.363 1.176 0 O-C-N 119.552 -1.968 . . . . 0.0 109.621 167.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.36 111.62 24.13 Favored 'General case' 0 C--N 1.369 1.441 0 CA-C-N 120.907 1.685 . . . . 0.0 108.175 168.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.24 148.9 46.79 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 125.901 1.681 . . . . 0.0 110.839 175.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -108.48 118.78 5.46 Favored Glycine 0 C--N 1.355 1.638 0 N-CA-C 108.351 -1.9 . . . . 0.0 108.351 162.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.73 112.36 39.39 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 N-CA-C 101.209 -3.626 . . . . 0.0 101.209 172.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.6 mp -117.55 113.7 43.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 C-N-CA 126.429 1.892 . . . . 0.0 107.113 -175.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -105.86 138.77 41.49 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 124.802 1.241 . . . . 0.0 111.109 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 1.6 m -144.67 150.08 16.62 Favored 'Isoleucine or valine' 0 C--N 1.361 1.084 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 175.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -117.67 140.23 49.94 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -126.58 150.58 48.77 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 105.642 -1.984 . . . . 0.0 105.642 -178.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 95.8 m -127.63 143.3 51.17 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.9 pt -97.02 143.91 11.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.105 0 C-N-CA 130.714 3.606 . . . . 0.0 113.864 -173.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -98.49 41.51 1.13 Allowed 'General case' 0 C--N 1.37 1.478 0 O-C-N 119.826 -1.796 . . . . 0.0 113.468 -176.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -93.78 -3.87 51.3 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 126.276 1.83 . . . . 0.0 112.374 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -75.89 40.48 0.2 Allowed 'General case' 0 C--N 1.363 1.18 0 C-N-CA 127.722 2.409 . . . . 0.0 114.239 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 32.3 p -101.16 95.28 6.44 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 128.234 2.614 . . . . 0.0 111.163 -177.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.358 1.754 0 C-N-CA 124.989 1.281 . . . . 0.0 110.368 -176.957 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 . . . . . 0 N--CA 1.437 -1.114 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -164.79 150.2 17.93 Favored Glycine 0 CA--C 1.491 -1.44 0 N-CA-C 104.137 -3.585 . . . . 0.0 104.137 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . 0.27 3.7 mm? 80.24 75.12 0.04 OUTLIER 'General case' 0 C--N 1.362 1.142 0 C-N-CA 127.475 2.31 . . . . 0.0 111.477 -177.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -138.3 161.22 37.47 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.0 m -156.86 61.27 0.52 Allowed 'General case' 0 C--N 1.348 0.507 0 N-CA-C 104.843 -2.28 . . . . 0.0 104.843 174.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -134.0 80.95 1.89 Allowed 'General case' 0 C--N 1.354 0.796 0 O-C-N 121.292 -0.88 . . . . 0.0 110.185 -177.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -75.37 -14.51 60.47 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 126.06 1.744 . . . . 0.0 112.914 177.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.86 -22.98 65.96 Favored 'General case' 0 C--N 1.37 1.47 0 C-N-CA 129.034 2.934 . . . . 0.0 111.4 170.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.9 -33.75 69.08 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 128.063 2.545 . . . . 0.0 114.355 173.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.7 m -62.44 -46.68 87.43 Favored 'General case' 0 C--N 1.373 1.615 0 CA-C-O 123.583 1.658 . . . . 0.0 113.304 172.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' A' ' 11' ' ' GLN 0.619 15.3 ptp180 -74.12 -38.04 63.92 Favored 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 130.043 3.337 . . . . 0.0 116.528 171.461 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.2 -23.88 64.35 Favored 'General case' 0 C--N 1.371 1.521 0 O-C-N 116.444 -3.91 . . . . 0.0 112.793 167.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.502 HD22 ' CZ ' ' A' ' 102' ' ' PHE 0.258 0.5 OUTLIER -65.76 -29.14 69.6 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 127.2 2.2 . . . . 0.0 111.76 163.288 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 8' ' ' ARG 0.408 2.2 pp0? -66.04 -38.05 87.39 Favored 'General case' 0 C--N 1.383 2.033 0 CA-C-N 122.702 2.501 . . . . 0.0 111.755 170.911 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.336 0.0 OUTLIER -67.4 -29.67 69.24 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 165.822 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.65 -41.62 71.89 Favored 'General case' 0 C--N 1.361 1.095 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 171.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.438 HG23 HD12 ' A' ' 95' ' ' LEU . 5.8 m -69.59 -30.35 68.09 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 127.264 2.226 . . . . 0.0 111.484 172.082 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.12 -35.32 52.92 Favored 'Isoleucine or valine' 0 C--N 1.371 1.54 0 O-C-N 119.657 -1.902 . . . . 0.0 112.385 167.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -70.33 -30.32 67.26 Favored 'General case' 0 C--N 1.367 1.336 0 CA-C-O 122.926 1.346 . . . . 0.0 112.397 174.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -43.91 97.8 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 128.565 2.746 . . . . 0.0 112.77 167.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 mp -59.76 -38.77 82.73 Favored 'General case' 0 C--N 1.376 1.729 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 168.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -27.02 64.48 Favored 'General case' 0 C--N 1.369 1.451 0 C-N-CA 127.579 2.352 . . . . 0.0 113.792 171.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 t -76.92 -35.01 57.64 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 125.922 1.689 . . . . 0.0 112.435 176.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -72.49 94.64 1.69 Allowed 'General case' 0 C--N 1.364 1.197 0 CA-C-O 123.069 1.414 . . . . 0.0 113.734 178.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.394 6.1 pt20 -40.62 -49.37 7.16 Favored Pre-proline 0 C--N 1.366 1.284 0 N-CA-C 120.789 3.625 . . . . 0.0 120.789 -173.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -65.95 -20.51 57.7 Favored 'Trans proline' 0 CA--C 1.551 1.326 0 CA-C-N 127.961 3.879 . . . . 0.0 116.212 169.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.38 -33.04 49.12 Favored 'General case' 0 C--N 1.371 1.509 0 CA-C-N 122.172 2.26 . . . . 0.0 112.026 -175.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 59.7 mmm -57.12 -27.55 61.92 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 130.872 3.669 . . . . 0.0 114.964 167.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -82.75 -32.67 27.73 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 126.35 1.86 . . . . 0.0 112.518 172.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 61.0 mtt -81.65 -41.13 21.87 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 126.253 1.821 . . . . 0.0 113.497 177.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.478 HG23 ' HA ' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -122.91 143.56 35.41 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 N-CA-C 103.309 -2.849 . . . . 0.0 103.309 172.312 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -101.82 -34.97 9.21 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 129.041 2.936 . . . . 0.0 111.565 174.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -97.33 37.96 1.3 Allowed 'General case' 0 N--CA 1.436 -1.172 1 C-N-CA 137.176 6.19 . . . . 0.0 112.986 -166.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 p -88.17 108.36 18.53 Favored 'Isoleucine or valine' 0 C--N 1.368 1.379 0 CA-C-O 123.781 1.753 . . . . 0.0 107.676 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.6 t -140.48 154.38 46.58 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 113.822 -1.536 . . . . 0.0 112.311 -168.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.65 43.06 0.81 Allowed 'General case' 0 C--N 1.356 0.873 0 C-N-CA 128.261 2.625 . . . . 0.0 115.401 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.411 63.9 m 118.74 -71.11 0.0 OUTLIER Pre-proline 0 C--N 1.358 0.939 0 C-N-CA 129.403 3.081 . . . . 0.0 112.944 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -72.67 138.26 28.89 Favored 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 124.212 3.274 . . . . 0.0 114.026 -173.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 128.61 -12.07 6.28 Favored Glycine 0 C--N 1.358 1.786 0 CA-C-O 123.062 1.368 . . . . 0.0 109.726 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -13.99 24.72 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 130.924 3.689 . . . . 0.0 116.568 -177.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -91.49 -1.66 57.47 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 127.886 2.475 . . . . 0.0 111.774 176.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -95.01 160.57 30.66 Favored Pre-proline 0 C--N 1.362 1.128 0 O-C-N 120.538 -1.351 . . . . 0.0 109.01 175.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -77.98 162.82 28.9 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 124.084 3.189 . . . . 0.0 115.284 -174.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 71' ' ' TRP . 2.4 m-30 -76.17 160.42 78.13 Favored Pre-proline 0 CA--C 1.56 1.358 0 C-N-CA 129.056 2.942 . . . . 0.0 113.634 -179.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -77.38 146.84 83.74 Favored 'Cis proline' 0 C--N 1.362 1.251 0 CA-C-N 122.037 1.763 . . . . 0.0 112.426 -0.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.478 ' HA ' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -172.81 168.91 4.98 Favored 'General case' 0 CA--C 1.558 1.261 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 -171.405 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.3 t -137.26 130.04 43.48 Favored 'Isoleucine or valine' 0 C--N 1.392 2.426 0 CA-C-O 123.361 1.553 . . . . 0.0 111.897 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.534 HG22 ' CH2' ' A' ' 71' ' ' TRP . 5.0 m -121.3 146.04 26.93 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 O-C-N 120.543 -1.348 . . . . 0.0 110.278 170.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.2 mm -88.52 140.16 16.24 Favored 'Isoleucine or valine' 0 C--N 1.367 1.338 0 C-N-CA 125.928 1.691 . . . . 0.0 109.217 169.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -143.59 -150.56 5.3 Favored Glycine 0 C--N 1.352 1.417 0 N-CA-C 107.306 -2.318 . . . . 0.0 107.306 168.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -146.21 132.87 19.89 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 100.808 -3.775 . . . . 0.0 100.808 175.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -125.16 149.31 48.04 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 120.3 1.409 . . . . 0.0 107.436 -175.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.8 t -148.35 177.85 9.08 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.3 p -120.46 -73.04 0.66 Allowed 'General case' 0 C--N 1.347 0.485 0 C-N-CA 127.886 2.475 . . . . 0.0 111.379 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.3 m -87.33 107.94 17.25 Favored Pre-proline 0 C--N 1.354 0.781 0 C-N-CA 128.467 2.707 . . . . 0.0 111.611 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -78.58 143.38 19.02 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 124.277 3.318 . . . . 0.0 112.767 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -135.98 150.92 49.44 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 127.849 2.46 . . . . 0.0 106.041 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -85.46 -12.03 52.86 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 126.798 2.039 . . . . 0.0 113.221 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.7 t -161.36 163.14 30.9 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 103.191 -2.892 . . . . 0.0 103.191 176.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -145.32 133.11 21.11 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.749 -1.219 . . . . 0.0 108.95 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.7 t -88.53 62.05 6.38 Favored 'General case' 0 C--N 1.361 1.081 0 O-C-N 120.505 -1.372 . . . . 0.0 110.512 175.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.9 m -162.08 67.51 0.25 Allowed 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -132.09 107.7 8.82 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 105.014 -2.217 . . . . 0.0 105.014 175.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.5 70.94 0.04 OUTLIER Glycine 0 C--N 1.349 1.29 0 O-C-N 121.003 -1.061 . . . . 0.0 111.386 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 78.53 51.49 0.03 OUTLIER 'General case' 0 C--N 1.363 1.177 0 C-N-CA 128.168 2.587 . . . . 0.0 113.901 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -135.69 128.35 30.83 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 125.73 1.612 . . . . 0.0 111.102 -175.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 mp -112.25 130.21 66.36 Favored 'Isoleucine or valine' 0 C--N 1.361 1.069 0 C-N-CA 130.418 3.487 . . . . 0.0 102.825 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 t -131.04 136.43 48.45 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 101.41 -3.552 . . . . 0.0 101.41 172.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 37.2 ttm -147.66 145.79 29.06 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 124.483 1.113 . . . . 0.0 108.519 -171.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.67 146.48 41.66 Favored 'General case' 0 CA--C 1.492 -1.284 0 CA-C-O 123.226 1.489 . . . . 0.0 108.334 175.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.525 ' CZ ' HD21 ' A' ' 90' ' ' LEU 0.358 0.0 OUTLIER -129.44 136.75 50.32 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 103.657 -2.72 . . . . 0.0 103.657 174.173 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.462 ' ND1' HD13 ' A' ' 124' ' ' ILE . 44.8 m-70 -111.7 117.79 33.84 Favored 'General case' 0 C--N 1.357 0.917 1 N-CA-C 98.952 -4.462 . . . . 0.0 98.952 -175.56 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.4 t -122.57 111.29 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.166 0 N-CA-C 103.247 -2.872 . . . . 0.0 103.247 -167.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.534 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -130.75 138.49 49.99 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 117.562 -1.655 . . . . 0.0 108.897 -173.859 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -147.49 166.63 28.65 Favored Glycine 0 CA--C 1.485 -1.824 0 CA-C-O 123.115 1.397 . . . . 0.0 113.036 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -174.5 112.13 0.39 Allowed Glycine 0 CA--C 1.49 -1.515 0 N-CA-C 104.064 -3.614 . . . . 0.0 104.064 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.2 m -167.75 -51.02 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 -175.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 m -143.57 155.54 44.32 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 102.803 -3.036 . . . . 0.0 102.803 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -62.84 -35.66 80.67 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 129.079 2.951 . . . . 0.0 115.775 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.04 -35.43 64.33 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 130.703 3.601 . . . . 0.0 113.174 176.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.269 21.8 tt0 -58.66 -36.42 74.11 Favored 'General case' 0 C--N 1.366 1.308 0 N-CA-C 117.664 2.468 . . . . 0.0 117.664 -174.061 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.32 92.87 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 126.7 2.0 . . . . 0.0 114.186 173.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -77.12 -32.16 56.28 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 128.268 2.627 . . . . 0.0 110.591 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -66.93 -50.05 63.59 Favored 'General case' 0 C--N 1.371 1.513 0 C-N-CA 125.86 1.664 . . . . 0.0 112.398 169.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.269 17.8 pt -58.3 -38.18 67.49 Favored 'Isoleucine or valine' 0 C--N 1.38 1.9 0 CA-C-N 121.438 1.926 . . . . 0.0 113.782 174.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.1 m -65.25 -49.84 68.07 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 127.409 2.284 . . . . 0.0 114.63 174.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.2 m -70.54 -35.97 73.44 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 128.405 2.682 . . . . 0.0 113.258 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 84.7 mmt-85 -76.17 -33.46 59.34 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 127.726 2.41 . . . . 0.0 111.931 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.56 -47.59 88.47 Favored 'Isoleucine or valine' 0 C--N 1.384 2.085 0 C-N-CA 126.286 1.834 . . . . 0.0 110.634 168.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.08 -50.04 73.56 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 128.175 2.59 . . . . 0.0 114.819 176.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.07 -38.2 82.14 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 128.116 2.567 . . . . 0.0 111.405 172.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.45 98.87 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 126.058 1.743 . . . . 0.0 113.88 168.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.525 HD21 ' CZ ' ' A' ' 68' ' ' PHE . 39.8 mt -57.12 -29.63 63.71 Favored 'General case' 0 C--N 1.389 2.324 0 C-N-CA 127.393 2.277 . . . . 0.0 114.252 174.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 1.014 0.2 OUTLIER -115.78 10.96 15.5 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 119.858 3.281 . . . . 0.0 119.858 168.432 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.46 -49.72 11.03 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 126.401 1.88 . . . . 0.0 107.464 170.207 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -108.69 148.92 38.74 Favored Pre-proline 0 C--N 1.358 0.969 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -79.19 159.21 26.62 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 124.64 3.56 . . . . 0.0 111.579 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.438 HD12 HG23 ' A' ' 14' ' ' THR . 0.1 OUTLIER -96.78 107.45 19.93 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 3.8 mtp -143.83 141.04 30.15 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.436 1.494 . . . . 0.0 110.863 -174.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -131.57 107.56 8.94 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 103.407 -2.812 . . . . 0.0 103.407 173.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 73.52 25.27 2.13 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 130.003 3.321 . . . . 0.0 114.577 175.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.31 2.88 61.79 Favored Glycine 0 C--N 1.36 1.892 0 C-N-CA 125.708 1.623 . . . . 0.0 113.382 -177.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -100.09 124.63 45.7 Favored 'General case' 0 C--N 1.36 1.039 0 CA-C-N 117.58 0.69 . . . . 0.0 109.703 -176.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 m -98.13 139.13 34.39 Favored 'General case' 0 C--N 1.373 1.598 0 C-N-CA 124.602 1.161 . . . . 0.0 113.991 -173.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.502 ' CZ ' HD22 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -127.48 144.95 50.99 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 -179.35 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -106.0 124.24 61.1 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 C-N-CA 124.164 0.986 . . . . 0.0 109.734 -171.221 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.17 137.98 35.87 Favored 'General case' 0 C--N 1.362 1.115 0 C-N-CA 126.845 2.058 . . . . 0.0 113.326 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -123.42 132.5 53.97 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 105.74 -1.948 . . . . 0.0 105.74 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt 81.17 116.16 0.06 Allowed 'General case' 0 C--N 1.368 1.383 0 C-N-CA 127.845 2.458 . . . . 0.0 114.52 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 73.2 mt -126.85 78.99 1.84 Allowed 'General case' 0 C--N 1.355 0.816 0 O-C-N 120.12 -1.612 . . . . 0.0 106.71 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.5 t -109.68 149.12 12.91 Favored 'Isoleucine or valine' 0 C--N 1.358 0.959 0 C-N-CA 125.603 1.561 . . . . 0.0 111.858 -174.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -152.57 -173.43 4.56 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 104.989 -2.226 . . . . 0.0 104.989 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . 0.299 . . 110.38 -6.72 0.01 OUTLIER 'General case' 0 C--N 1.368 1.388 0 C-N-CA 128.004 2.522 . . . . 0.0 115.848 174.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -71.9 -14.17 61.86 Favored 'General case' 0 C--N 1.372 1.546 0 C-N-CA 126.575 1.95 . . . . 0.0 114.401 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.0 m -93.1 115.68 32.47 Favored 'Isoleucine or valine' 0 C--N 1.363 1.176 0 C-N-CA 127.87 2.468 . . . . 0.0 107.725 172.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 52.8 mt -117.75 159.13 18.19 Favored 'Isoleucine or valine' 0 C--N 1.345 0.383 0 C-N-CA 127.724 2.41 . . . . 0.0 108.281 -175.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 87.5 m -104.07 119.86 39.85 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 126.201 1.8 . . . . 0.0 107.033 175.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -103.2 136.27 43.3 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 125.411 1.484 . . . . 0.0 107.906 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.9 p -63.35 -20.69 65.73 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 129.796 3.238 . . . . 0.0 116.201 -178.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -90.14 -10.7 43.59 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 127.14 2.176 . . . . 0.0 113.005 176.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.7 47.84 4.4 Favored Glycine 0 C--N 1.368 2.311 0 N-CA-C 117.462 1.745 . . . . 0.0 117.462 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -90.46 150.01 3.87 Favored 'Isoleucine or valine' 0 C--N 1.362 1.112 0 C-N-CA 125.944 1.698 . . . . 0.0 113.06 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.1 m -65.82 139.45 58.32 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 127.675 2.39 . . . . 0.0 112.189 175.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -98.52 134.24 41.75 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 124.917 1.287 . . . . 0.0 111.848 -173.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -133.07 119.85 20.54 Favored 'General case' 0 N--CA 1.436 -1.165 0 C-N-CA 126.659 1.984 . . . . 0.0 106.648 -176.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.75 137.36 9.37 Favored Glycine 0 C--N 1.351 1.372 0 N-CA-C 108.68 -1.768 . . . . 0.0 108.68 176.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.462 HD13 ' ND1' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -111.29 122.87 66.53 Favored 'Isoleucine or valine' 0 C--N 1.361 1.081 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 175.841 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.3 mt -113.89 116.29 52.17 Favored 'Isoleucine or valine' 0 C--N 1.362 1.136 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 -177.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -108.63 140.22 42.31 Favored 'General case' 0 CA--C 1.488 -1.404 0 C-N-CA 125.615 1.566 . . . . 0.0 107.71 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . 0.281 3.5 p -141.94 144.57 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 0 CA-C-N 113.969 -1.469 . . . . 0.0 107.36 171.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -117.47 139.73 50.53 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 127.839 2.456 . . . . 0.0 104.473 178.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -131.9 140.46 49.07 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 103.988 -2.597 . . . . 0.0 103.988 -176.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 62.5 m -128.48 143.12 50.93 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 -176.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.2 pt -122.94 137.39 56.57 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 176.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.9 22.43 10.38 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 125.569 1.548 . . . . 0.0 108.062 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 80.78 132.85 0.06 Allowed 'General case' 0 C--N 1.368 1.382 0 C-N-CA 130.122 3.369 . . . . 0.0 115.862 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -122.47 114.11 20.26 Favored 'General case' 0 C--N 1.362 1.133 0 O-C-N 119.757 -1.839 . . . . 0.0 106.741 174.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 77.1 p -82.8 90.54 6.92 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 125.672 1.589 . . . . 0.0 111.91 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.469 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -178.876 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 . . . . . 0 N--CA 1.44 -0.926 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 102.66 -172.61 22.08 Favored Glycine 0 C--N 1.353 1.515 0 C-N-CA 125.821 1.677 . . . . 0.0 109.57 -171.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 38.8 mt -94.99 30.6 2.07 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 125.25 1.42 . . . . 0.0 113.86 -176.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -82.6 -19.49 38.29 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 131.05 3.74 . . . . 0.0 111.799 176.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.6 m -73.39 83.27 1.44 Allowed 'General case' 0 C--N 1.354 0.775 0 C-N-CA 128.506 2.722 . . . . 0.0 115.992 -172.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -100.91 -142.74 0.34 Allowed 'General case' 0 C--N 1.358 0.958 0 C-N-CA 126.392 1.877 . . . . 0.0 110.753 176.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp 59.53 -105.27 0.23 Allowed 'General case' 0 C--N 1.364 1.215 0 C-N-CA 129.049 2.94 . . . . 0.0 114.923 178.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.0 tp -72.94 -32.23 65.13 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 127.778 2.431 . . . . 0.0 113.593 176.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.71 -36.27 82.1 Favored 'General case' 0 C--N 1.374 1.637 0 C-N-CA 125.385 1.474 . . . . 0.0 114.486 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.9 m -58.51 -47.2 84.92 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 127.541 2.336 . . . . 0.0 114.303 175.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.527 71.9 ttt180 -73.73 -37.88 64.97 Favored 'General case' 0 C--O 1.249 1.056 0 C-N-CA 127.591 2.356 . . . . 0.0 116.396 172.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.82 -23.77 54.22 Favored 'General case' 0 CA--C 1.557 1.238 0 O-C-N 118.743 -2.473 . . . . 0.0 114.495 168.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.63 HD23 ' CD1' ' A' ' 102' ' ' PHE 0.452 0.0 OUTLIER -63.42 -28.36 69.93 Favored 'General case' 0 C--N 1.376 1.76 0 O-C-N 119.267 -2.146 . . . . 0.0 114.707 164.04 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -69.71 -41.04 75.9 Favored 'General case' 0 C--N 1.377 1.781 0 C-N-CA 126.524 1.93 . . . . 0.0 109.502 175.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.321 0.0 OUTLIER -67.44 -29.89 69.48 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 166.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.01 -36.74 69.79 Favored 'General case' 0 C--N 1.365 1.279 0 O-C-N 119.833 -1.792 . . . . 0.0 112.749 172.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.314 6.8 m -70.39 -36.9 74.38 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 126.737 2.015 . . . . 0.0 111.455 174.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.07 -31.67 54.72 Favored 'Isoleucine or valine' 0 C--N 1.374 1.656 0 C-N-CA 125.517 1.527 . . . . 0.0 113.103 169.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -70.92 -30.21 66.48 Favored 'General case' 0 C--N 1.37 1.496 0 C-N-CA 124.488 1.115 . . . . 0.0 113.833 171.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -66.53 -43.59 84.77 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 126.402 1.881 . . . . 0.0 111.395 170.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.534 HD21 HD12 ' A' ' 90' ' ' LEU . 16.3 mt -59.18 -40.73 86.59 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 125.265 1.426 . . . . 0.0 114.459 170.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -24.29 57.05 Favored 'General case' 0 C--N 1.369 1.422 0 C-N-CA 124.391 1.076 . . . . 0.0 113.164 173.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -81.9 -20.98 37.67 Favored 'General case' 0 C--N 1.37 1.481 0 C-N-CA 125.346 1.458 . . . . 0.0 114.757 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -83.61 103.91 13.31 Favored 'General case' 0 C--N 1.366 1.313 0 CA-C-N 120.33 1.423 . . . . 0.0 114.793 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.461 ' HG2' ' HD3' ' A' ' 23' ' ' PRO 0.422 6.7 pm0 -41.03 -49.86 7.9 Favored Pre-proline 0 C--N 1.372 1.552 0 N-CA-C 119.161 3.023 . . . . 0.0 119.161 179.525 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.461 ' HD3' ' HG2' ' A' ' 22' ' ' GLN . 19.3 Cg_exo -65.99 -26.56 50.98 Favored 'Trans proline' 0 CA--C 1.545 1.036 0 C-N-CA 125.002 3.801 . . . . 0.0 115.564 170.182 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.91 -40.7 18.24 Favored 'General case' 0 C--N 1.369 1.433 0 CA-C-N 120.918 1.69 . . . . 0.0 111.567 -176.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . 0.276 0.1 OUTLIER -64.81 -27.79 69.12 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 126.229 1.812 . . . . 0.0 113.655 169.094 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -74.79 -21.88 59.06 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 125.116 1.366 . . . . 0.0 113.04 169.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -102.33 -18.63 15.34 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 127.038 2.135 . . . . 0.0 116.225 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.473 HG21 ' HB ' ' A' ' 31' ' ' VAL . 9.4 m -121.62 145.07 28.81 Favored 'Isoleucine or valine' 0 C--N 1.371 1.506 0 O-C-N 119.116 -2.24 . . . . 0.0 105.886 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -102.69 -12.0 17.99 Favored 'General case' 0 C--N 1.362 1.133 0 O-C-N 119.477 -2.015 . . . . 0.0 112.986 177.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.446 ' HB3' ' CB ' ' A' ' 43' ' ' TYR 0.644 3.2 tp-100 -136.77 39.45 2.59 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 129.824 3.25 . . . . 0.0 118.132 -161.615 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.473 ' HB ' HG21 ' A' ' 28' ' ' VAL . 5.8 p -85.44 109.25 18.08 Favored 'Isoleucine or valine' 0 C--N 1.366 1.319 0 CA-C-O 125.121 2.391 . . . . 0.0 107.808 176.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.5 t -146.43 168.87 20.11 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 111.871 -2.422 . . . . 0.0 111.464 -171.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -108.39 -11.37 15.19 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 127.188 2.195 . . . . 0.0 113.245 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.274 5.9 m -176.15 -71.02 0.0 OUTLIER Pre-proline 0 C--N 1.357 0.893 0 CA-C-O 116.454 -1.736 . . . . 0.0 108.831 179.224 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.81 136.27 27.43 Favored 'Trans proline' 0 C--N 1.362 1.278 0 CA-C-N 126.09 3.211 . . . . 0.0 110.984 -178.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.29 -18.83 41.31 Favored Glycine 0 C--N 1.35 1.334 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 -171.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.333 0.0 OUTLIER -49.94 -15.12 0.17 Allowed 'General case' 0 C--N 1.361 1.092 0 N-CA-C 120.336 3.458 . . . . 0.0 120.336 -178.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -106.12 11.47 31.35 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 128.085 2.554 . . . . 0.0 113.007 175.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.58 144.98 28.77 Favored Pre-proline 0 C--N 1.366 1.305 0 C-N-CA 125.509 1.523 . . . . 0.0 110.778 178.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.12 162.64 40.93 Favored 'Trans proline' 0 C--N 1.362 1.253 0 C-N-CA 125.2 3.933 . . . . 0.0 119.969 -163.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -70.22 140.05 87.72 Favored Pre-proline 0 C--N 1.362 1.15 1 C-N-CA 132.829 4.452 . . . . 0.0 116.379 -176.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -78.79 147.45 81.09 Favored 'Cis proline' 0 C--N 1.371 1.724 0 CA-C-N 120.989 1.389 . . . . 0.0 115.58 4.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.446 ' CB ' ' HB3' ' A' ' 30' ' ' GLN 0.26 16.7 p90 -166.72 168.87 13.96 Favored 'General case' 0 C--N 1.37 1.465 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -177.159 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.6 t -136.18 124.65 36.81 Favored 'Isoleucine or valine' 0 C--N 1.401 2.846 0 CA-C-O 123.225 1.488 . . . . 0.0 112.006 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.1 m -116.67 139.85 41.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 120.82 -1.175 . . . . 0.0 110.619 175.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.3 mm -75.51 140.41 17.42 Favored 'Isoleucine or valine' 0 C--N 1.375 1.699 0 C-N-CA 127.754 2.422 . . . . 0.0 109.191 169.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.51 -166.29 23.19 Favored Glycine 0 CA--C 1.488 -1.656 0 N-CA-C 108.565 -1.814 . . . . 0.0 108.565 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -145.69 121.21 10.38 Favored 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 105.844 -1.91 . . . . 0.0 105.844 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.6 161.51 29.46 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 126.058 1.743 . . . . 0.0 106.79 -177.334 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 t 96.66 -147.07 0.0 OUTLIER 'General case' 0 C--N 1.356 0.87 0 C-N-CA 129.801 3.24 . . . . 0.0 109.004 -178.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.6 p -166.03 177.55 6.96 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.262 1.425 . . . . 0.0 107.385 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.7 m -168.43 126.04 0.89 Allowed Pre-proline 0 C--N 1.355 0.811 0 N-CA-C 104.147 -2.538 . . . . 0.0 104.147 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -70.78 114.11 3.76 Favored 'Trans proline' 0 C--N 1.361 1.195 0 C-N-CA 124.455 3.436 . . . . 0.0 111.591 176.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -117.51 104.07 10.71 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 125.488 1.515 . . . . 0.0 107.974 -177.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -105.38 -60.02 1.68 Allowed 'General case' 0 C--N 1.351 0.632 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 175.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.6 p -142.58 -177.48 5.31 Favored 'General case' 0 C--N 1.351 0.635 0 N-CA-C 103.647 -2.723 . . . . 0.0 103.647 176.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -131.77 -171.68 2.68 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 174.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.3 m -156.18 133.0 10.4 Favored 'General case' 0 CA--C 1.506 -0.749 0 O-C-N 120.032 -1.668 . . . . 0.0 106.882 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . 0.271 36.2 m 71.77 -72.88 0.11 Allowed 'General case' 0 C--N 1.358 0.937 0 C-N-CA 127.958 2.503 . . . . 0.0 115.088 -179.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -160.72 146.04 14.52 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 105.704 -1.962 . . . . 0.0 105.704 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -114.06 52.74 0.63 Allowed Glycine 0 C--N 1.357 1.736 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 175.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.94 61.82 4.69 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 128.276 2.631 . . . . 0.0 116.833 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -140.57 149.81 42.85 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 124.039 1.876 . . . . 0.0 110.241 175.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.604 HG21 HD11 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -111.01 121.65 64.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 C-N-CA 129.58 3.152 . . . . 0.0 103.162 -177.548 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.4 p -111.15 126.52 54.93 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.784 1.634 . . . . 0.0 108.035 177.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.9 ptt? -142.48 142.56 32.31 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-N 120.825 1.648 . . . . 0.0 113.3 177.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.48 154.25 38.07 Favored 'General case' 0 C--N 1.367 1.344 0 CA-C-O 124.66 2.171 . . . . 0.0 108.438 174.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.62 141.01 39.14 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 102.355 -3.202 . . . . 0.0 102.355 171.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -113.45 124.61 52.82 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 102.32 -3.215 . . . . 0.0 102.32 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -124.71 112.96 34.01 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.143 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 -168.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.99 130.26 35.47 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 117.143 -1.823 . . . . 0.0 110.981 -174.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -122.72 60.01 0.58 Allowed Glycine 0 C--N 1.369 2.382 0 N-CA-C 115.566 0.986 . . . . 0.0 115.566 -170.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -75.25 90.89 0.82 Allowed Glycine 0 C--N 1.355 1.638 0 C-N-CA 126.199 1.856 . . . . 0.0 113.309 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.6 m -169.31 -45.57 0.02 OUTLIER 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.9 m -160.42 151.16 18.64 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 102.821 -3.029 . . . . 0.0 102.821 175.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.651 HH12 ' H ' ' A' ' 115' ' ' ASP . 4.2 tmm_? -62.38 -35.68 79.93 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.689 1.996 . . . . 0.0 115.545 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.75 -35.67 76.98 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 128.965 2.906 . . . . 0.0 115.127 174.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -62.09 -33.5 74.56 Favored 'General case' 0 C--N 1.369 1.438 0 C-N-CA 127.428 2.291 . . . . 0.0 114.207 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.11 -34.73 78.72 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 129.295 3.038 . . . . 0.0 114.31 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -77.7 -38.45 47.37 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 127.519 2.327 . . . . 0.0 111.421 175.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -66.69 -46.37 75.82 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 126.589 1.956 . . . . 0.0 111.882 172.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 23.9 pt -70.34 -39.27 76.39 Favored 'Isoleucine or valine' 0 C--N 1.369 1.456 0 O-C-N 119.881 -1.762 . . . . 0.0 114.164 175.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.6 p -68.67 -49.91 55.28 Favored 'General case' 0 C--N 1.372 1.57 0 CA-C-N 120.937 1.698 . . . . 0.0 114.519 175.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.2 m -61.29 -46.81 88.77 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 127.043 2.137 . . . . 0.0 114.085 175.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . 0.251 10.1 mpt_? -74.66 -29.47 61.26 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 124.349 1.06 . . . . 0.0 112.574 176.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.375 1.5 p -68.58 -44.88 82.46 Favored 'Isoleucine or valine' 0 C--N 1.385 2.113 0 CA-C-N 121.738 2.063 . . . . 0.0 113.813 173.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.437 HD11 HD13 ' A' ' 125' ' ' ILE . 10.7 mp -66.79 -37.96 85.59 Favored 'General case' 0 C--N 1.379 1.869 0 O-C-N 119.116 -2.24 . . . . 0.0 112.455 174.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 17.0 tp10 -61.65 -34.78 76.3 Favored 'General case' 0 C--N 1.378 1.812 0 CA-C-O 116.674 -1.631 . . . . 0.0 112.715 171.015 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.77 -46.03 73.21 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 127.826 2.45 . . . . 0.0 113.483 171.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.534 HD12 HD21 ' A' ' 18' ' ' LEU . 10.1 mp -48.4 -48.01 37.3 Favored 'General case' 0 C--N 1.39 2.348 0 C-N-CA 128.305 2.642 . . . . 0.0 114.018 176.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.789 0.2 OUTLIER -106.07 11.61 31.28 Favored 'General case' 0 C--N 1.368 1.397 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 174.243 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.437 ' HB3' ' O ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -79.5 -44.15 21.79 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 119.666 -1.897 . . . . 0.0 108.197 174.338 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.15 107.32 47.84 Favored Pre-proline 0 C--N 1.356 0.872 0 N-CA-C 100.207 -3.998 . . . . 0.0 100.207 175.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.7 163.39 35.89 Favored 'Trans proline' 0 C--N 1.37 1.688 1 C-N-CA 125.565 4.177 . . . . 0.0 114.537 -166.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.1 mt -80.58 106.87 12.91 Favored 'General case' 0 C--N 1.37 1.49 0 CA-C-O 124.277 1.989 . . . . 0.0 114.744 -170.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 47.2 ttm -145.32 143.06 29.96 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 111.643 -2.526 . . . . 0.0 109.642 -179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -134.84 110.06 8.93 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 172.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 60.72 34.22 19.99 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 130.547 3.539 . . . . 0.0 115.972 173.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 94.24 -6.82 72.24 Favored Glycine 0 C--N 1.351 1.387 0 C-N-CA 125.885 1.707 . . . . 0.0 112.858 -173.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -95.68 124.14 39.56 Favored 'General case' 0 C--N 1.366 1.311 0 CA-C-N 119.572 1.686 . . . . 0.0 108.555 -177.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.6 p -95.42 148.75 22.14 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 127.867 2.467 . . . . 0.0 112.04 -175.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.63 ' CD1' HD23 ' A' ' 10' ' ' LEU 0.252 0.1 OUTLIER -136.12 146.72 47.26 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 178.246 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -106.93 121.88 60.29 Favored 'Isoleucine or valine' 0 C--N 1.358 0.961 0 C-N-CA 124.964 1.305 . . . . 0.0 111.013 -173.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.33 129.36 34.45 Favored 'General case' 0 C--N 1.372 1.562 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -176.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -137.11 94.95 3.01 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.043 1.337 . . . . 0.0 108.3 -173.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -143.88 136.46 27.05 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.65 -1.281 . . . . 0.0 109.588 -177.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 71.3 mt -125.74 119.79 28.91 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 176.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.2 p -157.61 160.2 2.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 N-CA-C 105.094 -2.187 . . . . 0.0 105.094 -176.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.0 mt -117.4 94.73 4.67 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 125.855 1.662 . . . . 0.0 106.879 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.66 97.16 8.38 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 126.045 1.738 . . . . 0.0 113.078 -176.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -100.12 142.24 31.87 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 126.098 1.759 . . . . 0.0 111.187 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.1 p -124.78 139.45 50.93 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 N-CA-C 103.34 -2.837 . . . . 0.0 103.34 175.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.4 mt -110.14 137.88 40.44 Favored 'Isoleucine or valine' 0 C--N 1.36 1.039 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 86.4 m -95.88 111.31 23.33 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 128.585 2.754 . . . . 0.0 107.163 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.651 ' H ' HH12 ' A' ' 76' ' ' ARG . 46.5 m-20 -112.2 119.72 39.32 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.5 m -46.81 -29.61 2.04 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 131.111 3.764 . . . . 0.0 117.911 -174.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -90.15 -7.27 54.09 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 127.074 2.149 . . . . 0.0 114.298 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.33 46.75 4.88 Favored Glycine 0 C--N 1.367 2.282 0 CA-C-N 120.294 1.406 . . . . 0.0 116.316 176.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 16.5 t -73.97 120.19 22.61 Favored 'Isoleucine or valine' 0 C--N 1.362 1.132 0 C-N-CA 126.892 2.077 . . . . 0.0 112.268 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 19.6 m -53.88 119.3 4.82 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 130.381 3.473 . . . . 0.0 117.349 -175.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -93.89 139.47 30.86 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 124.514 1.126 . . . . 0.0 111.676 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -135.09 148.18 49.76 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 128.803 2.841 . . . . 0.0 105.071 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.81 141.63 12.97 Favored Glycine 0 C--N 1.357 1.703 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 176.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.55 114.35 46.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 1 N-CA-C 100.074 -4.047 . . . . 0.0 100.074 166.925 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.437 HD13 HD11 ' A' ' 87' ' ' LEU . 15.5 mt -118.51 122.04 68.53 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 C-N-CA 124.104 0.962 . . . . 0.0 108.968 -172.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -114.78 140.02 49.25 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 124.75 1.22 . . . . 0.0 107.759 175.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.2 t -133.01 156.58 42.38 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 N-CA-C 103.921 -2.622 . . . . 0.0 103.921 169.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . 0.415 42.1 ptt85 -135.11 141.02 45.91 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 125.53 1.532 . . . . 0.0 114.19 173.093 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.23 139.27 54.08 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 125.426 1.49 . . . . 0.0 108.353 -172.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 54.5 m -115.61 128.98 56.33 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 122.547 1.165 . . . . 0.0 109.439 -177.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.5 pt -117.18 143.78 26.66 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 N-CA-C 104.597 -2.371 . . . . 0.0 104.597 174.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -147.21 174.87 11.2 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -90.36 -29.05 18.3 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 127.918 2.487 . . . . 0.0 111.523 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 73.54 23.54 2.43 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 129.28 3.032 . . . . 0.0 114.9 177.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 2.8 p -101.49 154.69 18.61 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 128.177 2.591 . . . . 0.0 112.664 -176.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.467 0 N-CA-C 106.216 -2.753 . . . . 0.0 106.216 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.443 -0.811 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -128.54 7.6 6.59 Favored Glycine 0 C--N 1.356 1.648 0 C-N-CA 126.494 1.997 . . . . 0.0 114.464 -175.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 25.0 tp -98.57 -40.67 8.11 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.005 1.322 . . . . 0.0 109.956 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . 0.263 96.2 mm-40 69.64 -97.09 0.03 OUTLIER 'General case' 0 C--N 1.362 1.145 0 C-N-CA 128.042 2.537 . . . . 0.0 114.815 177.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.9 p -128.55 104.9 7.94 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 126.401 1.88 . . . . 0.0 108.734 -178.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 13.4 p90 -89.04 -5.99 57.48 Favored 'General case' 0 C--N 1.369 1.418 0 C-N-CA 126.07 1.748 . . . . 0.0 115.32 -176.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 84.83 56.46 0.01 OUTLIER 'General case' 0 C--N 1.366 1.295 0 C-N-CA 129.366 3.067 . . . . 0.0 106.15 -172.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -56.01 -50.87 69.67 Favored 'General case' 0 C--N 1.37 1.458 0 N-CA-C 119.995 3.331 . . . . 0.0 119.995 -161.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.49 -51.04 39.61 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 120.956 1.707 . . . . 0.0 112.455 173.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 1.3 p -55.41 -47.11 76.44 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 128.742 2.817 . . . . 0.0 118.067 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.729 6.9 ptp180 -75.42 -37.22 60.56 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 119.38 3.104 . . . . 0.0 119.38 167.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.412 ' HA ' ' HG3' ' A' ' 12' ' ' LYS 0.299 . . -59.07 -22.44 60.78 Favored 'General case' 0 C--N 1.368 1.39 0 O-C-N 118.983 -2.323 . . . . 0.0 114.61 175.186 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.801 HD23 ' CD1' ' A' ' 102' ' ' PHE 0.361 0.9 OUTLIER -55.07 -40.89 70.84 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 130.354 3.462 . . . . 0.0 114.124 161.726 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.536 ' HG3' ' HB3' ' A' ' 66' ' ' MET 0.333 5.3 mm-40 -70.55 -37.83 74.09 Favored 'General case' 0 C--N 1.374 1.646 0 O-C-N 120.076 -1.64 . . . . 0.0 111.727 172.408 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.412 ' HG3' ' HA ' ' A' ' 9' ' ' ALA 0.373 0.0 OUTLIER -66.39 -30.05 70.34 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 167.14 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.23 -35.49 68.88 Favored 'General case' 0 C--N 1.366 1.309 0 O-C-N 119.963 -1.71 . . . . 0.0 114.019 170.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 m -70.24 -39.27 75.15 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 127.975 2.51 . . . . 0.0 110.235 172.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.25 -31.4 53.48 Favored 'Isoleucine or valine' 0 C--N 1.37 1.484 0 O-C-N 120.05 -1.656 . . . . 0.0 112.814 169.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -70.78 -31.86 68.78 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 125.337 1.455 . . . . 0.0 113.033 171.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.525 ' HB2' ' HB3' ' A' ' 93' ' ' LYS 0.405 1.9 p30 -68.28 -37.97 81.21 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 124.559 1.143 . . . . 0.0 113.482 171.757 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.547 ' O ' HD11 ' A' ' 24' ' ' LEU . 3.4 mp -56.45 -51.71 67.39 Favored 'General case' 0 C--N 1.374 1.633 0 C-N-CA 126.295 1.838 . . . . 0.0 112.989 165.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.26 9.6 pt-20 -72.5 -15.39 61.79 Favored 'General case' 0 C--N 1.369 1.416 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 174.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.4 m -80.71 -31.03 36.28 Favored 'General case' 0 C--N 1.371 1.54 0 C-N-CA 125.213 1.405 . . . . 0.0 112.029 174.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -78.07 93.74 4.56 Favored 'General case' 0 C--N 1.367 1.362 0 CA-C-O 122.893 1.33 . . . . 0.0 111.976 177.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.346 11.7 pt20 -49.65 -37.91 27.98 Favored Pre-proline 0 C--N 1.365 1.26 0 N-CA-C 119.091 2.997 . . . . 0.0 119.091 -178.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.48 -20.31 65.89 Favored 'Trans proline' 0 C--N 1.363 1.306 0 CA-C-N 125.358 2.949 . . . . 0.0 115.096 169.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.547 HD11 ' O ' ' A' ' 18' ' ' LEU 0.404 2.4 pp -87.31 -15.44 38.0 Favored 'General case' 0 C--N 1.382 2.0 0 CA-C-N 123.872 3.033 . . . . 0.0 112.514 176.306 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 98.5 mmm -64.98 -27.82 69.09 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 126.483 1.913 . . . . 0.0 115.38 176.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -90.7 -9.16 47.8 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 125.367 1.467 . . . . 0.0 112.292 172.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -102.12 -23.35 14.07 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 126.41 1.884 . . . . 0.0 113.364 177.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 m -125.82 145.88 32.52 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 N-CA-C 104.636 -2.357 . . . . 0.0 104.636 176.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -102.46 -42.07 6.09 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 124.867 2.27 . . . . 0.0 110.747 167.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.574 3.1 mp0 -98.06 39.42 1.23 Allowed 'General case' 0 N--CA 1.439 -1.024 1 C-N-CA 137.183 6.193 . . . . 0.0 118.103 -166.816 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -86.15 111.49 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 O-C-N 119.171 -2.205 . . . . 0.0 107.805 176.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.428 HG23 HG12 ' A' ' 45' ' ' VAL . 9.9 t -142.3 167.72 21.44 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 123.908 1.813 . . . . 0.0 112.529 -166.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -78.59 -102.13 0.02 OUTLIER 'General case' 0 C--N 1.361 1.075 0 C-N-CA 128.232 2.613 . . . . 0.0 109.982 174.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 t -93.71 -53.53 0.25 Allowed Pre-proline 0 C--N 1.36 1.046 0 CA-C-O 115.238 -2.315 . . . . 0.0 114.975 178.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -72.95 137.45 26.75 Favored 'Trans proline' 0 C--N 1.363 1.308 0 CA-C-N 126.571 3.382 . . . . 0.0 113.676 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.71 18.36 7.01 Favored Glycine 0 C--N 1.359 1.82 0 C-N-CA 124.27 0.938 . . . . 0.0 114.3 175.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.424 ' CB ' HG11 ' A' ' 45' ' ' VAL 0.33 0.0 OUTLIER -74.69 -15.46 60.79 Favored 'General case' 0 C--N 1.362 1.123 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -177.078 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -107.11 15.9 24.71 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 130.585 3.554 . . . . 0.0 113.239 174.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -92.93 170.9 8.1 Favored Pre-proline 0 C--N 1.366 1.283 0 C-N-CA 125.624 1.57 . . . . 0.0 111.566 -176.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -57.41 143.8 93.25 Favored 'Trans proline' 0 C--N 1.366 1.494 0 C-N-CA 124.902 3.735 . . . . 0.0 119.617 -172.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -91.95 135.77 26.92 Favored Pre-proline 0 N--CA 1.45 -0.428 0 C-N-CA 128.329 2.652 . . . . 0.0 109.784 -175.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -78.22 151.49 90.16 Favored 'Cis proline' 0 CA--C 1.539 0.773 0 CA-C-N 123.315 2.22 . . . . 0.0 115.071 1.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -175.48 166.99 3.3 Favored 'General case' 0 CA--C 1.56 1.344 0 O-C-N 121.384 -0.823 . . . . 0.0 112.659 -174.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 51.6 t -138.15 136.91 44.68 Favored 'Isoleucine or valine' 0 C--N 1.393 2.468 0 O-C-N 121.242 -0.911 . . . . 0.0 113.01 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.428 HG12 HG23 ' A' ' 32' ' ' THR . 14.2 m -113.03 153.25 14.64 Favored 'Isoleucine or valine' 0 C--N 1.368 1.396 0 O-C-N 120.221 -1.55 . . . . 0.0 111.107 167.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 21.1 mm -85.23 138.76 18.52 Favored 'Isoleucine or valine' 0 C--N 1.368 1.381 0 C-N-CA 125.538 1.535 . . . . 0.0 110.802 169.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -146.51 -164.67 11.12 Favored Glycine 0 C--N 1.356 1.66 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 176.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -145.69 121.47 10.56 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.95 139.08 50.11 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 126.349 1.86 . . . . 0.0 109.203 -173.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.9 p -107.4 97.37 7.13 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 125.817 1.647 . . . . 0.0 111.725 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.0 m -69.02 53.54 0.09 Allowed 'General case' 0 C--N 1.368 1.385 0 N-CA-C 118.009 2.596 . . . . 0.0 118.009 -175.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.331 29.2 p 71.77 67.61 0.35 Allowed Pre-proline 0 C--N 1.358 0.958 0 C-N-CA 128.703 2.801 . . . . 0.0 114.751 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -83.01 114.3 2.24 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 123.727 2.951 . . . . 0.0 113.333 -175.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -116.83 134.46 54.75 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 125.907 1.683 . . . . 0.0 108.076 176.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -51.09 84.93 0.0 OUTLIER 'General case' 0 C--N 1.368 1.381 0 C-N-CA 130.127 3.371 . . . . 0.0 116.563 -176.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.3 m -123.37 113.37 18.74 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 127.654 2.382 . . . . 0.0 105.226 -175.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -131.49 96.85 4.08 Favored 'General case' 0 C--N 1.348 0.542 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -176.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.5 p -113.1 -37.09 4.87 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 125.955 1.702 . . . . 0.0 110.725 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.8 p -166.05 -171.45 2.01 Favored 'General case' 0 N--CA 1.442 -0.825 0 N-CA-C 102.93 -2.989 . . . . 0.0 102.93 -176.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -139.74 174.17 10.79 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 125.45 1.5 . . . . 0.0 107.641 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -154.51 176.97 32.12 Favored Glycine 0 C--N 1.361 1.965 0 N-CA-C 108.048 -2.021 . . . . 0.0 108.048 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -118.73 94.96 4.64 Favored 'General case' 0 C--N 1.363 1.152 0 CA-C-N 118.728 1.264 . . . . 0.0 109.957 -175.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -132.68 160.0 37.99 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 124.185 1.945 . . . . 0.0 115.403 -172.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.483 HG21 HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -107.67 122.19 61.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 1 C-N-CA 133.253 4.621 . . . . 0.0 103.175 178.402 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.9 p -115.09 116.71 28.86 Favored 'General case' 0 C--N 1.368 1.37 0 CA-C-N 121.27 1.85 . . . . 0.0 106.596 170.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.536 ' HB3' ' HG3' ' A' ' 11' ' ' GLN 0.268 3.5 ttt -155.2 161.33 41.22 Favored 'General case' 0 C--N 1.372 1.55 0 CA-C-N 121.468 1.94 . . . . 0.0 114.147 178.793 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.508 ' OD1' ' CD2' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -131.9 164.4 26.2 Favored 'General case' 0 C--N 1.369 1.415 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -175.127 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.473 ' CZ ' HD11 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -127.55 137.8 52.71 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 103.378 -2.823 . . . . 0.0 103.378 166.869 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.508 ' CD2' ' OD1' ' A' ' 67' ' ' ASP . 33.8 m-70 -112.66 119.09 36.89 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 103.201 -2.889 . . . . 0.0 103.201 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 p -115.15 131.04 68.6 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.075 0 C-N-CA 124.396 1.078 . . . . 0.0 108.647 -174.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.423 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -132.39 135.62 46.25 Favored 'General case' 0 C--N 1.36 1.065 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 173.096 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.73 31.8 4.04 Favored Glycine 0 C--N 1.371 2.523 0 C-N-CA 124.759 1.171 . . . . 0.0 113.596 -176.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.9 70.38 0.01 OUTLIER Glycine 0 C--N 1.356 1.672 0 C-N-CA 129.658 3.504 . . . . 0.0 119.801 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.89 -78.63 0.25 Allowed 'General case' 0 CA--C 1.502 -0.888 0 N-CA-C 104.446 -2.427 . . . . 0.0 104.446 -176.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.5 p -118.83 170.04 9.34 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 126.462 1.905 . . . . 0.0 107.587 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.554 ' H ' ' HD3' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -66.6 -45.69 78.35 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 128.829 2.852 . . . . 0.0 113.741 175.217 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.63 -35.47 80.26 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 131.178 3.791 . . . . 0.0 114.918 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -58.97 -33.33 70.53 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 126.357 1.863 . . . . 0.0 115.034 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.74 -45.79 73.96 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 128.661 2.784 . . . . 0.0 115.022 175.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -74.35 -31.06 62.27 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 125.187 1.395 . . . . 0.0 111.368 176.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -67.46 -51.6 49.53 Favored 'General case' 0 C--N 1.374 1.633 0 C-N-CA 124.878 1.271 . . . . 0.0 113.077 168.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.286 10.8 pt -64.66 -39.69 86.49 Favored 'Isoleucine or valine' 0 C--N 1.381 1.945 0 CA-C-N 120.897 1.68 . . . . 0.0 114.154 176.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.5 m -68.11 -49.47 60.95 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 125.745 1.618 . . . . 0.0 113.983 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . 0.289 83.0 p -63.17 -40.38 97.38 Favored 'General case' 0 C--N 1.37 1.499 0 O-C-N 119.382 -2.073 . . . . 0.0 113.776 175.087 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 86.6 mmt-85 -69.13 -33.1 72.91 Favored 'General case' 0 C--N 1.371 1.502 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 171.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.312 0.3 OUTLIER -67.97 -46.14 82.41 Favored 'Isoleucine or valine' 0 C--N 1.384 2.098 0 C-N-CA 125.817 1.647 . . . . 0.0 113.529 175.682 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.6 -38.89 84.64 Favored 'General case' 0 C--N 1.379 1.881 0 O-C-N 119.839 -1.788 . . . . 0.0 112.532 175.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.444 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 17.1 tp10 -59.45 -41.7 90.29 Favored 'General case' 0 C--N 1.38 1.892 0 C-N-CA 126.372 1.869 . . . . 0.0 111.856 172.047 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.59 -45.34 79.55 Favored 'General case' 0 C--N 1.376 1.743 0 C-N-CA 126.229 1.812 . . . . 0.0 114.348 173.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.473 HD11 ' CZ ' ' A' ' 68' ' ' PHE . 1.5 mp -45.76 -49.8 14.56 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 130.979 3.711 . . . . 0.0 115.113 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.636 0.2 OUTLIER -105.64 11.09 32.65 Favored 'General case' 0 C--N 1.367 1.367 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 169.733 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.444 ' HB3' ' O ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -76.37 -45.9 29.85 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 119.02 -2.3 . . . . 0.0 109.687 176.019 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 17' ' ' ASN 0.286 0.5 OUTLIER -119.93 99.57 48.94 Favored Pre-proline 0 C--N 1.354 0.785 0 N-CA-C 104.837 -2.283 . . . . 0.0 104.837 -179.268 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -55.15 163.16 4.74 Favored 'Trans proline' 0 C--N 1.389 2.665 1 C-N-CA 127.193 5.262 . . . . 0.0 120.131 -164.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.5 mt -87.18 107.01 18.28 Favored 'General case' 0 C--N 1.367 1.347 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -171.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 19.5 ttt -144.79 142.19 29.79 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 113.464 -1.698 . . . . 0.0 111.078 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -133.53 107.16 7.84 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.645 1.978 . . . . 0.0 105.745 170.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 65.43 -71.45 0.08 Allowed 'General case' 0 C--N 1.348 0.54 1 C-N-CA 132.601 4.361 . . . . 0.0 117.387 169.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -139.94 16.81 3.01 Favored Glycine 0 CA--C 1.493 -1.296 0 N-CA-C 107.276 -2.329 . . . . 0.0 107.276 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -122.61 124.65 43.97 Favored 'General case' 0 C--N 1.363 1.17 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.6 m -116.35 131.96 56.8 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 127.771 2.428 . . . . 0.0 105.016 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.801 ' CD1' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -132.67 142.65 49.18 Favored 'General case' 0 C--N 1.362 1.121 0 CA-C-O 122.485 1.136 . . . . 0.0 111.829 -171.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.8 t -106.88 131.66 56.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 C-N-CA 124.849 1.26 . . . . 0.0 111.009 -175.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.62 111.22 16.84 Favored 'General case' 0 C--N 1.369 1.437 0 CA-C-O 122.671 1.224 . . . . 0.0 110.698 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -141.86 107.86 5.18 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 126.364 1.866 . . . . 0.0 106.002 -172.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . 0.289 6.8 tmtm? 103.6 124.76 0.01 OUTLIER 'General case' 0 C--N 1.358 0.966 0 C-N-CA 129.87 3.268 . . . . 0.0 110.752 -178.284 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.6 tp -160.3 156.43 26.35 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 101.644 -3.465 . . . . 0.0 101.644 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 77.4 t -120.09 145.51 26.28 Favored 'Isoleucine or valine' 0 C--N 1.356 0.879 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 176.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 46.6 tp -101.11 93.76 5.63 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 125.055 1.342 . . . . 0.0 110.116 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -88.39 -47.79 8.11 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 124.853 1.261 . . . . 0.0 111.754 177.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . 0.479 0.9 OUTLIER 66.45 140.67 0.03 OUTLIER 'General case' 0 C--N 1.359 1.002 0 C-N-CA 130.599 3.56 . . . . 0.0 117.404 179.748 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 13.2 p -128.11 133.45 67.07 Favored 'Isoleucine or valine' 0 C--N 1.349 0.55 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 177.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 41.4 mm -110.81 147.84 14.62 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 C-N-CA 125.4 1.48 . . . . 0.0 107.506 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 24.5 m -71.4 130.38 41.18 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 127.529 2.332 . . . . 0.0 112.558 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -108.9 132.93 53.58 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 127.389 2.276 . . . . 0.0 107.105 178.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.9 p -72.14 -19.93 61.7 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 130.234 3.414 . . . . 0.0 118.567 -176.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -77.62 -3.13 39.35 Favored 'General case' 0 C--N 1.357 0.923 0 N-CA-C 120.893 3.664 . . . . 0.0 120.893 -169.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.49 33.64 11.33 Favored Glycine 0 C--N 1.365 2.149 0 CA-C-N 121.034 1.743 . . . . 0.0 115.411 177.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 13.5 p -85.42 149.54 4.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 C-N-CA 128.37 2.668 . . . . 0.0 113.004 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 6.9 t -70.88 120.34 16.33 Favored 'General case' 0 C--N 1.377 1.789 0 C-N-CA 125.712 1.605 . . . . 0.0 109.075 171.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -99.94 122.59 43.09 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.919 1.288 . . . . 0.0 112.551 -171.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -116.63 129.79 56.36 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 126.377 1.871 . . . . 0.0 110.895 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.6 142.4 13.8 Favored Glycine 0 C--N 1.362 2.007 0 N-CA-C 107.447 -2.261 . . . . 0.0 107.447 170.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.478 HD11 ' CG ' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -117.96 119.46 61.54 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 N-CA-C 101.36 -3.57 . . . . 0.0 101.36 173.771 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 44.5 mt -115.93 112.78 41.08 Favored 'Isoleucine or valine' 0 C--N 1.362 1.132 0 N-CA-C 105.892 -1.892 . . . . 0.0 105.892 -175.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -118.92 139.13 52.16 Favored 'General case' 0 CA--C 1.495 -1.144 0 O-C-N 120.366 -1.459 . . . . 0.0 107.212 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 4.7 t -130.95 147.8 33.07 Favored 'Isoleucine or valine' 0 C--O 1.248 1.01 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 174.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -111.11 135.82 51.06 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 126.132 1.773 . . . . 0.0 106.319 172.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -130.63 142.68 50.45 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 106.252 -1.759 . . . . 0.0 106.252 -176.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 48.5 m -130.83 142.99 50.42 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 121.228 -0.92 . . . . 0.0 110.082 -172.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 12.8 pt -129.54 142.05 44.93 Favored 'Isoleucine or valine' 0 C--N 1.364 1.212 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 177.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 73.39 96.71 0.07 Allowed 'General case' 0 C--N 1.367 1.348 0 N-CA-C 118.237 2.68 . . . . 0.0 118.237 176.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -161.1 -178.93 7.09 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 104.251 -2.5 . . . . 0.0 104.251 174.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -75.4 0.29 17.44 Favored 'General case' 0 C--N 1.363 1.155 0 C-N-CA 130.083 3.353 . . . . 0.0 117.032 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 21.8 p -95.86 101.91 13.65 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 127.499 2.32 . . . . 0.0 110.457 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.58 0 N-CA-C 109.121 -1.592 . . . . 0.0 109.121 -178.593 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 . . . . . 0 N--CA 1.44 -0.927 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 171.93 179.6 42.99 Favored Glycine 0 C--N 1.348 1.219 0 N-CA-C 103.922 -3.671 . . . . 0.0 103.922 -178.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -135.95 54.52 1.9 Allowed 'General case' 0 C--N 1.35 0.611 0 CA-C-O 123.828 1.775 . . . . 0.0 107.338 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -158.4 155.8 29.29 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 -175.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 t -99.14 173.91 6.58 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 124.499 1.12 . . . . 0.0 110.003 177.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.3 p90 -104.35 145.13 30.69 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 126.547 1.939 . . . . 0.0 109.614 -177.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -71.36 -23.15 61.85 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 126.185 1.794 . . . . 0.0 113.698 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.8 mt -65.88 -22.87 66.55 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 130.895 3.678 . . . . 0.0 112.024 173.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.408 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . . . -63.06 -34.14 76.94 Favored 'General case' 0 C--N 1.375 1.689 0 C-N-CA 126.999 2.12 . . . . 0.0 113.515 174.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.471 ' O ' HD12 ' A' ' 10' ' ' LEU 0.297 52.8 p -57.49 -46.38 83.78 Favored 'General case' 0 C--N 1.373 1.62 0 C-N-CA 128.125 2.57 . . . . 0.0 113.148 175.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.483 9.2 ptm180 -72.41 -35.56 68.42 Favored 'General case' 0 C--N 1.356 0.879 1 C-N-CA 132.214 4.206 . . . . 0.0 115.477 166.151 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' A' ' 6' ' ' ALA . . . -51.56 -23.15 3.83 Favored 'General case' 0 CA--C 1.567 1.63 0 O-C-N 117.012 -3.555 . . . . 0.0 114.13 171.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.483 HD13 ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -55.86 -29.58 60.14 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 118.481 2.771 . . . . 0.0 118.481 158.577 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.483 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -70.16 -43.7 70.31 Favored 'General case' 0 C--N 1.378 1.845 0 C-N-CA 131.308 3.843 . . . . 0.0 110.182 168.658 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.383 0.0 OUTLIER -67.21 -30.04 69.86 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.054 -1.654 . . . . 0.0 113.701 168.915 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.67 -36.03 73.14 Favored 'General case' 0 C--N 1.362 1.143 0 C-N-CA 125.961 1.704 . . . . 0.0 113.077 170.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.334 0.7 OUTLIER -70.07 -36.65 75.1 Favored 'General case' 0 C--N 1.375 1.696 0 O-C-N 120.632 -1.292 . . . . 0.0 110.727 171.867 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.94 -31.28 53.03 Favored 'Isoleucine or valine' 0 C--N 1.371 1.506 0 O-C-N 120.088 -1.633 . . . . 0.0 113.797 172.288 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -70.94 -34.12 71.17 Favored 'General case' 0 C--N 1.367 1.36 0 C-N-CA 125.067 1.347 . . . . 0.0 113.127 171.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.521 ' HB2' ' HB3' ' A' ' 93' ' ' LYS 0.394 8.1 p30 -65.76 -36.94 84.97 Favored 'General case' 0 C--N 1.37 1.487 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 169.6 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.479 ' HB3' HG21 ' A' ' 31' ' ' VAL . 20.6 mt -61.34 -42.15 98.22 Favored 'General case' 0 C--N 1.369 1.451 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 169.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.87 -15.91 57.74 Favored 'General case' 0 C--N 1.368 1.373 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 170.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.6 m -84.32 -24.95 29.59 Favored 'General case' 0 C--N 1.375 1.714 0 C-N-CA 125.28 1.432 . . . . 0.0 112.703 177.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -80.4 99.13 7.81 Favored 'General case' 0 C--N 1.361 1.09 0 O-C-N 120.603 -1.311 . . . . 0.0 111.199 177.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.357 6.2 pt20 -46.22 -40.83 19.52 Favored Pre-proline 0 C--N 1.366 1.301 0 N-CA-C 120.391 3.478 . . . . 0.0 120.391 -177.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -65.88 -22.56 55.99 Favored 'Trans proline' 0 C--N 1.362 1.262 0 C-N-CA 124.734 3.623 . . . . 0.0 115.752 167.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.5 -25.57 62.31 Favored 'General case' 0 C--N 1.377 1.769 0 CA-C-N 121.778 2.081 . . . . 0.0 114.222 -176.031 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 84.2 mmm -76.56 -26.92 55.62 Favored 'General case' 0 C--N 1.349 0.573 1 C-N-CA 131.921 4.088 . . . . 0.0 113.051 173.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -86.87 -39.77 15.51 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 127.036 2.134 . . . . 0.0 111.669 174.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.3 mmt -79.71 -32.83 41.29 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 127.223 2.209 . . . . 0.0 114.375 178.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.491 HG13 ' HA ' ' A' ' 43' ' ' TYR . 3.2 t -126.77 144.22 37.66 Favored 'Isoleucine or valine' 0 C--N 1.365 1.241 0 N-CA-C 101.827 -3.398 . . . . 0.0 101.827 173.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -102.92 -8.61 20.55 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 118.582 -2.574 . . . . 0.0 112.367 178.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.402 0.4 OUTLIER -136.69 39.99 2.59 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 110.213 -3.176 . . . . 0.0 113.833 -153.464 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.479 HG21 ' HB3' ' A' ' 18' ' ' LEU . 7.8 p -89.07 109.37 20.15 Favored 'Isoleucine or valine' 0 C--N 1.37 1.476 0 O-C-N 119.87 -1.769 . . . . 0.0 107.376 176.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.6 t -145.95 169.01 19.48 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 124.281 1.991 . . . . 0.0 116.033 -167.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -131.03 73.19 1.53 Allowed 'General case' 0 C--N 1.355 0.807 0 C-N-CA 128.335 2.654 . . . . 0.0 104.821 176.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 96.8 p -167.14 -170.16 0.22 Allowed Pre-proline 0 C--N 1.351 0.647 0 N-CA-C 104.37 -2.455 . . . . 0.0 104.37 -172.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -71.28 157.97 55.71 Favored 'Trans proline' 0 CA--C 1.554 1.504 0 C-N-CA 123.511 2.807 . . . . 0.0 110.009 158.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 173.03 -47.09 0.16 Allowed Glycine 0 C--N 1.359 1.822 0 C-N-CA 119.395 -1.383 . . . . 0.0 110.495 -173.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.364 0.0 OUTLIER -48.28 -0.03 0.01 OUTLIER 'General case' 0 C--N 1.36 1.025 2 C-N-CA 132.856 4.463 . . . . 0.0 122.09 -173.254 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -106.61 11.22 30.71 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 128.596 2.758 . . . . 0.0 110.768 173.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -87.68 165.49 29.83 Favored Pre-proline 0 C--N 1.363 1.194 0 O-C-N 119.962 -1.711 . . . . 0.0 111.88 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.19 135.62 17.15 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 124.628 3.552 . . . . 0.0 112.521 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.43 ' CD1' ' HB2' ' A' ' 71' ' ' TRP . 33.7 m-85 -69.36 156.88 90.78 Favored Pre-proline 0 C--N 1.362 1.135 0 C-N-CA 130.866 3.667 . . . . 0.0 117.136 -173.225 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -83.78 147.95 57.02 Favored 'Cis proline' 0 C--N 1.361 1.21 0 CA-C-N 123.172 2.169 . . . . 0.0 114.205 0.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.491 ' HA ' HG13 ' A' ' 28' ' ' VAL 0.48 15.7 p90 -179.54 169.36 1.39 Allowed 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 125.63 1.572 . . . . 0.0 114.08 -178.284 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.4 t -138.46 145.47 28.17 Favored 'Isoleucine or valine' 0 C--N 1.411 3.276 0 N-CA-C 116.893 2.183 . . . . 0.0 116.893 -175.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.5 m -125.25 163.77 25.5 Favored 'Isoleucine or valine' 0 C--N 1.376 1.744 0 O-C-N 119.85 -1.781 . . . . 0.0 112.166 166.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.7 mm -87.97 140.44 15.8 Favored 'Isoleucine or valine' 0 C--N 1.377 1.771 0 C-N-CA 126.627 1.971 . . . . 0.0 105.977 166.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.78 -168.0 22.06 Favored Glycine 0 CA--C 1.49 -1.477 0 N-CA-C 108.419 -1.873 . . . . 0.0 108.419 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -146.33 132.19 19.09 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -99.11 149.12 23.36 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 125.724 1.609 . . . . 0.0 109.324 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.6 m 173.16 -167.72 0.03 OUTLIER 'General case' 0 C--N 1.361 1.079 0 N-CA-C 103.152 -2.907 . . . . 0.0 103.152 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . 0.308 14.6 p 136.75 -27.96 0.01 OUTLIER 'General case' 0 C--N 1.369 1.425 0 C-N-CA 129.784 3.233 . . . . 0.0 107.12 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.5 t -100.58 145.91 31.14 Favored Pre-proline 0 C--N 1.347 0.492 0 C-N-CA 128.766 2.826 . . . . 0.0 104.277 171.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -77.32 124.7 7.3 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.9 3.067 . . . . 0.0 111.513 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -136.35 136.75 39.94 Favored 'General case' 0 C--N 1.356 0.883 0 O-C-N 121.051 -1.03 . . . . 0.0 108.739 177.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -169.51 142.25 2.56 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 127.633 2.373 . . . . 0.0 105.796 174.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 p -122.89 111.03 16.16 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 125.012 1.325 . . . . 0.0 108.184 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -118.6 167.31 11.75 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 126.787 2.035 . . . . 0.0 107.562 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.6 t 78.95 27.26 0.43 Allowed 'General case' 0 C--N 1.365 1.242 0 C-N-CA 126.602 1.961 . . . . 0.0 114.155 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.2 t -149.66 170.02 19.66 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 103.672 -2.714 . . . . 0.0 103.672 177.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -82.53 50.55 1.67 Allowed 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.47 1.908 . . . . 0.0 111.859 176.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.69 65.22 4.07 Favored Glycine 0 C--N 1.361 1.941 0 C-N-CA 128.482 2.944 . . . . 0.0 115.265 -171.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -85.19 61.34 6.8 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 125.79 1.636 . . . . 0.0 111.445 176.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.51 154.51 24.64 Favored 'General case' 0 C--N 1.359 1.003 0 O-C-N 120.68 -1.263 . . . . 0.0 111.317 -176.034 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 mp -106.24 121.83 59.22 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 C-N-CA 129.954 3.302 . . . . 0.0 104.278 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.6 p -101.94 116.72 33.32 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 119.685 -1.885 . . . . 0.0 111.181 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.6 mmt -153.89 152.5 30.7 Favored 'General case' 0 C--N 1.364 1.237 0 CA-C-O 122.215 1.007 . . . . 0.0 111.919 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.12 163.64 23.37 Favored 'General case' 0 C--N 1.369 1.433 0 CA-C-O 124.166 1.936 . . . . 0.0 112.259 -172.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.282 0.0 OUTLIER -137.57 139.45 40.43 Favored 'General case' 0 C--O 1.244 0.778 0 N-CA-C 103.347 -2.835 . . . . 0.0 103.347 172.368 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -121.89 122.3 39.09 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 127.024 2.13 . . . . 0.0 108.245 -173.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.0 p -126.59 131.73 70.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 C-N-CA 124.727 1.211 . . . . 0.0 109.997 -173.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.43 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -135.12 129.5 33.99 Favored 'General case' 0 C--N 1.372 1.556 0 CA-C-O 121.493 0.663 . . . . 0.0 111.594 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -123.69 151.78 17.07 Favored Glycine 0 C--N 1.366 2.242 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 175.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 175.07 112.82 0.31 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 104.83 -3.308 . . . . 0.0 104.83 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.4 m 174.26 -61.78 0.01 OUTLIER 'General case' 0 C--N 1.354 0.78 0 N-CA-C 101.826 -3.398 . . . . 0.0 101.826 -175.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.1 p -130.81 152.32 50.28 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 101.007 -3.701 . . . . 0.0 101.007 171.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.422 ' HE ' ' HZ2' ' A' ' 121' ' ' LYS 0.266 13.3 ptm180 -66.34 -34.63 78.4 Favored 'General case' 0 C--N 1.362 1.139 0 CA-C-N 120.343 1.429 . . . . 0.0 114.674 177.882 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.91 -36.11 83.33 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 130.288 3.435 . . . . 0.0 114.71 176.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -57.04 -32.76 66.53 Favored 'General case' 0 C--N 1.379 1.89 0 C-N-CA 125.564 1.545 . . . . 0.0 114.819 174.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.96 -38.27 82.59 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 129.001 2.92 . . . . 0.0 114.21 173.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -76.81 -36.45 56.92 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 125.57 1.548 . . . . 0.0 111.226 174.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -61.81 -49.88 74.54 Favored 'General case' 0 C--N 1.373 1.594 0 C-N-CA 126.207 1.803 . . . . 0.0 112.357 172.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.303 17.1 pt -62.75 -37.35 78.86 Favored 'Isoleucine or valine' 0 C--N 1.371 1.533 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 174.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -68.03 -49.85 58.95 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 127.361 2.264 . . . . 0.0 112.549 173.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.1 t -58.36 -43.89 88.6 Favored 'General case' 0 C--N 1.371 1.507 0 C-N-CA 128.297 2.639 . . . . 0.0 113.241 171.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 -66.8 -36.95 83.57 Favored 'General case' 0 C--N 1.372 1.554 0 C-N-CA 126.353 1.861 . . . . 0.0 114.339 171.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.349 0.3 OUTLIER -66.92 -49.35 74.81 Favored 'Isoleucine or valine' 0 C--N 1.382 1.981 0 CA-C-N 121.013 1.733 . . . . 0.0 112.592 176.38 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.3 mp -63.14 -40.07 96.52 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 119.462 -2.024 . . . . 0.0 113.447 176.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.453 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 33.0 tt0 -63.13 -38.07 89.7 Favored 'General case' 0 C--N 1.372 1.547 0 C-N-CA 125.976 1.71 . . . . 0.0 113.368 172.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.95 -43.45 65.21 Favored 'General case' 0 C--N 1.377 1.764 0 C-N-CA 126.744 2.018 . . . . 0.0 114.024 174.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.454 ' CD1' HD21 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -49.23 -50.27 39.3 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 130.635 3.574 . . . . 0.0 113.641 176.034 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.559 0.2 OUTLIER -102.3 10.24 39.33 Favored 'General case' 0 C--N 1.371 1.508 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 169.353 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.453 ' HB3' ' O ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -75.82 -43.38 46.3 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 118.802 -2.436 . . . . 0.0 109.762 175.577 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 17' ' ' ASN 0.277 0.1 OUTLIER -125.54 94.2 43.17 Favored Pre-proline 0 C--N 1.35 0.593 0 N-CA-C 104.368 -2.456 . . . . 0.0 104.368 179.243 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -63.63 149.02 91.93 Favored 'Trans proline' 0 C--N 1.378 2.117 0 C-N-CA 125.078 3.852 . . . . 0.0 116.809 -168.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.76 107.64 3.1 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 127.396 2.278 . . . . 0.0 116.542 -173.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 44.6 ttm -144.04 143.22 31.08 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 125.856 1.662 . . . . 0.0 107.405 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -135.68 108.41 7.51 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 67.98 26.47 7.38 Favored 'General case' 0 C--N 1.362 1.114 0 C-N-CA 130.013 3.325 . . . . 0.0 114.962 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.4 -6.36 61.2 Favored Glycine 0 C--N 1.355 1.588 0 C-N-CA 125.818 1.675 . . . . 0.0 112.737 -173.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -94.56 128.3 41.09 Favored 'General case' 0 C--N 1.36 1.052 0 CA-C-N 118.882 1.341 . . . . 0.0 111.323 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.0 m -107.32 134.65 50.07 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 125.671 1.589 . . . . 0.0 112.839 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -140.72 121.7 14.59 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 102.186 -3.265 . . . . 0.0 102.186 -179.562 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.7 t -106.17 142.43 19.16 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 C-N-CA 124.999 1.32 . . . . 0.0 108.334 -169.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.84 131.26 35.37 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -173.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -114.08 104.3 12.0 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 126.425 1.89 . . . . 0.0 106.968 177.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -154.57 118.37 4.64 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 119.419 -2.051 . . . . 0.0 105.821 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 97.6 mt -139.86 49.81 1.76 Allowed 'General case' 0 C--N 1.362 1.118 0 O-C-N 121.102 -0.998 . . . . 0.0 109.899 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.5 t -118.76 -74.78 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.851 0 O-C-N 121.156 -0.965 . . . . 0.0 108.895 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.37 121.9 45.76 Favored 'General case' 0 C--N 1.36 1.057 0 CA-C-O 122.467 1.127 . . . . 0.0 112.159 -178.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -145.69 38.87 1.13 Allowed 'General case' 0 C--N 1.357 0.914 0 O-C-N 120.419 -1.426 . . . . 0.0 108.195 -178.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -162.09 164.69 27.92 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -177.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 62.1 t -108.6 139.73 29.94 Favored 'Isoleucine or valine' 0 C--N 1.349 0.545 0 C-N-CA 129.401 3.08 . . . . 0.0 106.914 178.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 34.9 mm -108.03 132.1 56.65 Favored 'Isoleucine or valine' 0 C--N 1.365 1.272 0 O-C-N 120.902 -1.124 . . . . 0.0 109.288 178.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 93.4 m -91.0 134.44 34.48 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 129.096 2.959 . . . . 0.0 108.908 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -112.05 140.92 46.33 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 124.519 1.128 . . . . 0.0 109.444 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.9 t -64.69 -20.6 66.4 Favored 'General case' 0 C--N 1.369 1.437 0 C-N-CA 127.608 2.363 . . . . 0.0 115.665 -178.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -90.39 -12.84 36.35 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 127.421 2.288 . . . . 0.0 113.697 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 86.44 47.22 4.98 Favored Glycine 0 C--N 1.369 2.369 0 O-C-N 121.004 -1.06 . . . . 0.0 114.876 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.7 t -90.56 144.93 8.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 C-N-CA 125.681 1.592 . . . . 0.0 111.576 -175.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 22.3 p -76.67 125.21 28.86 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 127.36 2.264 . . . . 0.0 111.318 177.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.422 ' HZ2' ' HE ' ' A' ' 76' ' ' ARG . 3.7 mppt? -92.76 130.03 38.5 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 126.496 1.918 . . . . 0.0 110.341 -175.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 -129.48 142.0 50.88 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 128.707 2.803 . . . . 0.0 104.024 -176.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.68 139.88 11.32 Favored Glycine 0 C--N 1.353 1.505 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -120.75 116.73 50.86 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 N-CA-C 102.643 -3.095 . . . . 0.0 102.643 172.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.2 mt -113.31 122.4 67.36 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 -178.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -117.8 126.53 52.6 Favored 'General case' 0 C--N 1.364 1.224 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 178.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.42 145.39 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 CA-C-O 122.825 1.298 . . . . 0.0 109.287 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -110.79 114.98 28.75 Favored 'General case' 0 C--N 1.364 1.204 0 N-CA-C 103.692 -2.707 . . . . 0.0 103.692 168.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -100.98 140.48 35.22 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.396 -1.44 . . . . 0.0 107.131 -176.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 21.2 m -113.09 136.17 53.0 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.817 1.247 . . . . 0.0 111.205 -171.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.2 pt -85.78 116.68 29.28 Favored 'Isoleucine or valine' 0 C--N 1.363 1.176 0 CA-C-O 122.369 1.08 . . . . 0.0 111.367 176.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -144.05 141.63 30.19 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 127.396 2.278 . . . . 0.0 106.908 -176.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -100.05 -173.42 2.43 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.467 1.507 . . . . 0.0 112.995 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -135.03 -160.09 1.02 Allowed 'General case' 0 C--N 1.355 0.815 0 C-N-CA 127.015 2.126 . . . . 0.0 105.412 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 10.9 m -84.43 89.49 7.41 Favored 'General case' 0 C--N 1.367 1.354 0 O-C-N 120.3 -1.5 . . . . 0.0 112.826 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.358 1.786 0 C-N-CA 124.866 1.222 . . . . 0.0 112.989 176.658 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 N--CA 1.444 -0.746 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 157.25 -74.61 0.22 Allowed Glycine 0 C--N 1.35 1.334 0 N-CA-C 108.407 -1.877 . . . . 0.0 108.407 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 52.7 mt -88.86 64.4 7.21 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 125.779 1.632 . . . . 0.0 111.137 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -86.5 142.71 28.16 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-O 123.74 1.733 . . . . 0.0 113.807 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.1 m -153.32 115.23 4.3 Favored 'General case' 0 C--N 1.349 0.575 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -110.44 1.45 18.32 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 127.702 2.401 . . . . 0.0 108.901 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.9 mttp 71.45 -61.31 0.49 Allowed 'General case' 0 C--N 1.367 1.349 0 C-N-CA 129.588 3.155 . . . . 0.0 112.775 -176.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.83 -24.35 60.88 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 130.616 3.567 . . . . 0.0 113.014 178.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.54 -34.82 77.86 Favored 'General case' 0 C--N 1.371 1.506 0 CA-C-N 120.724 1.602 . . . . 0.0 114.313 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 23.5 m -56.87 -46.78 81.61 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 127.532 2.333 . . . . 0.0 113.36 171.016 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.468 0.0 OUTLIER -74.24 -38.28 63.54 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 131.422 3.889 . . . . 0.0 116.155 170.568 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.414 ' HA ' ' HG3' ' A' ' 12' ' ' LYS . . . -56.02 -23.75 34.93 Favored 'General case' 0 C--N 1.366 1.315 0 O-C-N 117.326 -3.359 . . . . 0.0 113.62 173.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.801 HD23 HG21 ' A' ' 64' ' ' ILE 0.272 1.6 tp -55.31 -40.37 71.05 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 127.398 2.279 . . . . 0.0 115.414 161.243 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -70.02 -39.17 75.98 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 126.489 1.916 . . . . 0.0 111.688 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.414 ' HG3' ' HA ' ' A' ' 9' ' ' ALA 0.327 0.0 OUTLIER -68.01 -30.13 69.3 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 165.796 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.88 72.57 Favored 'General case' 0 C--N 1.364 1.2 0 O-C-N 119.775 -1.828 . . . . 0.0 112.799 172.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.422 ' HG1' HD12 ' A' ' 10' ' ' LEU . 10.0 m -69.93 -35.09 74.26 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 127.203 2.201 . . . . 0.0 111.19 175.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.42 -31.79 54.4 Favored 'Isoleucine or valine' 0 C--N 1.374 1.637 0 O-C-N 120.466 -1.396 . . . . 0.0 112.27 168.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -70.69 -29.78 66.18 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 124.74 1.216 . . . . 0.0 112.999 170.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.465 ' OD1' ' HG2' ' A' ' 93' ' ' LYS . 11.0 m-20 -65.45 -38.86 91.1 Favored 'General case' 0 C--N 1.372 1.544 0 O-C-N 118.921 -2.362 . . . . 0.0 111.67 169.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 mp -62.3 -35.86 80.34 Favored 'General case' 0 C--N 1.377 1.793 0 C-N-CA 127.131 2.173 . . . . 0.0 112.595 169.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -31.48 65.49 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 126.109 1.763 . . . . 0.0 113.455 170.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.1 t -76.08 -35.42 59.38 Favored 'General case' 0 C--N 1.374 1.656 0 C-N-CA 125.171 1.388 . . . . 0.0 114.202 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -75.45 95.27 3.24 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 123.022 1.392 . . . . 0.0 113.14 -177.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.354 1.2 pt20 -40.38 -45.59 5.26 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 130.47 3.508 . . . . 0.0 118.845 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.54 -19.82 65.3 Favored 'Trans proline' 0 CA--C 1.55 1.305 0 C-N-CA 125.16 3.907 . . . . 0.0 116.298 166.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.94 -32.5 59.59 Favored 'General case' 0 C--N 1.374 1.633 0 CA-C-N 122.029 2.195 . . . . 0.0 112.361 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.9 mmm -66.18 -28.21 68.59 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 129.574 3.15 . . . . 0.0 114.834 176.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -80.28 -18.33 49.64 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 126.924 2.089 . . . . 0.0 112.805 175.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 51.0 mtt -102.36 -45.69 5.02 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.731 2.012 . . . . 0.0 115.607 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' A' ' 43' ' ' TYR . 1.4 p -122.32 143.69 34.19 Favored 'Isoleucine or valine' 0 C--N 1.364 1.217 0 O-C-N 119.116 -2.24 . . . . 0.0 106.415 177.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -102.92 -26.31 13.15 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 125.679 2.657 . . . . 0.0 111.095 172.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.493 3.3 mp0 -97.34 40.71 1.14 Allowed 'General case' 0 N--CA 1.428 -1.572 1 C-N-CA 137.513 6.325 . . . . 0.0 114.138 -166.233 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.27 108.58 18.83 Favored 'Isoleucine or valine' 0 C--N 1.375 1.714 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 173.319 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.3 t -132.23 158.45 41.75 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.336 1.455 . . . . 0.0 113.577 -173.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -99.57 -9.92 22.67 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 126.133 1.773 . . . . 0.0 113.412 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.292 14.8 m -166.43 -79.89 0.0 OUTLIER Pre-proline 0 C--N 1.356 0.855 0 CA-C-O 114.765 -2.54 . . . . 0.0 110.011 178.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -72.82 138.32 28.6 Favored 'Trans proline' 0 C--N 1.366 1.472 0 C-N-CA 124.477 3.451 . . . . 0.0 112.599 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.1 28.57 2.82 Favored Glycine 0 C--N 1.363 2.068 0 O-C-N 120.311 -1.493 . . . . 0.0 111.22 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.46 ' HA ' HG11 ' A' ' 45' ' ' VAL 0.326 0.0 OUTLIER -86.91 -26.07 24.1 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 127.442 2.297 . . . . 0.0 114.358 171.955 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 52.2 p30 -95.05 15.29 19.29 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 127.521 2.329 . . . . 0.0 116.094 -175.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -85.36 169.02 17.27 Favored Pre-proline 0 C--N 1.359 1.008 0 C-N-CA 124.138 0.975 . . . . 0.0 112.642 176.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -75.32 146.46 31.56 Favored 'Trans proline' 0 CA--C 1.551 1.346 0 C-N-CA 124.122 3.215 . . . . 0.0 113.866 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.427 ' CE1' ' HB2' ' A' ' 71' ' ' TRP . 76.7 m-85 -65.11 145.35 99.11 Favored Pre-proline 0 C--N 1.369 1.43 0 C-N-CA 130.315 3.446 . . . . 0.0 114.669 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -87.62 149.64 34.71 Favored 'Cis proline' 0 C--N 1.354 0.858 0 CA-C-N 123.074 2.134 . . . . 0.0 113.453 4.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.493 ' HA ' HG23 ' A' ' 28' ' ' VAL . 34.1 p90 -172.03 168.63 5.83 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 124.144 0.978 . . . . 0.0 113.435 -178.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.9 t -133.89 124.15 46.38 Favored 'Isoleucine or valine' 0 C--N 1.398 2.705 0 CA-C-O 123.364 1.554 . . . . 0.0 114.02 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.46 HG11 ' HA ' ' A' ' 37' ' ' LYS . 17.7 m -112.76 145.98 18.06 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 O-C-N 120.43 -1.419 . . . . 0.0 110.717 175.035 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.2 mm -79.86 140.13 17.22 Favored 'Isoleucine or valine' 0 C--N 1.375 1.715 0 C-N-CA 126.02 1.728 . . . . 0.0 107.353 169.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -166.02 -178.83 39.15 Favored Glycine 0 CA--C 1.485 -1.803 0 N-CA-C 108.649 -1.78 . . . . 0.0 108.649 -176.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -145.05 120.68 10.45 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -176.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -95.45 127.63 41.65 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 127.064 2.146 . . . . 0.0 107.839 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.3 m -177.28 171.77 1.97 Allowed 'General case' 0 C--N 1.353 0.736 0 N-CA-C 105.325 -2.102 . . . . 0.0 105.325 -179.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.8 m -178.74 -35.34 0.01 OUTLIER 'General case' 0 C--N 1.362 1.119 0 C-N-CA 124.953 1.301 . . . . 0.0 109.203 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.7 m -95.42 -56.69 0.21 Allowed Pre-proline 0 C--N 1.36 1.048 0 CA-C-O 115.585 -2.15 . . . . 0.0 114.151 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -79.8 150.34 21.14 Favored 'Trans proline' 0 C--N 1.359 1.104 0 CA-C-N 126.77 3.454 . . . . 0.0 115.22 -171.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -135.95 150.79 49.41 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 105.078 -2.193 . . . . 0.0 105.078 176.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -83.53 54.24 2.78 Favored 'General case' 0 C--N 1.364 1.238 0 CA-C-O 123.878 1.799 . . . . 0.0 113.382 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 85.6 m -158.93 126.13 4.83 Favored 'General case' 0 CA--C 1.497 -1.089 0 N-CA-C 100.322 -3.955 . . . . 0.0 100.322 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt 80.63 45.35 0.04 OUTLIER 'General case' 0 C--N 1.361 1.093 0 C-N-CA 127.46 2.304 . . . . 0.0 111.437 -173.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.5 t -162.61 179.96 7.34 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 125.756 1.622 . . . . 0.0 106.917 -178.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 m -68.13 55.98 0.07 Allowed 'General case' 0 C--N 1.358 0.94 0 C-N-CA 131.083 3.753 . . . . 0.0 118.65 -171.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.4 t80 71.49 -50.19 0.69 Allowed 'General case' 0 C--N 1.357 0.896 0 C-N-CA 128.293 2.637 . . . . 0.0 115.078 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.5 52.62 1.81 Allowed Glycine 0 C--N 1.352 1.467 0 C-N-CA 125.127 1.346 . . . . 0.0 113.226 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -117.11 81.72 1.69 Allowed 'General case' 0 C--N 1.357 0.93 0 C-N-CA 125.347 1.459 . . . . 0.0 107.116 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -161.88 166.47 26.21 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 102.532 -3.136 . . . . 0.0 102.532 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.801 HG21 HD23 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -115.86 122.12 68.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 N-CA-C 101.111 -3.663 . . . . 0.0 101.111 176.278 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.5 p -129.06 117.0 20.16 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 177.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 28.5 tpp -154.03 156.37 37.24 Favored 'General case' 0 C--N 1.369 1.445 0 CA-C-O 122.513 1.149 . . . . 0.0 112.72 -175.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.94 163.86 28.59 Favored 'General case' 0 C--N 1.364 1.22 0 CA-C-O 125.265 2.46 . . . . 0.0 112.987 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.447 ' CZ ' HD11 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -130.26 139.42 50.76 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 101.492 -3.521 . . . . 0.0 101.492 173.415 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -112.59 118.43 35.07 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 101.404 -3.554 . . . . 0.0 101.404 -176.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.431 HG21 HG11 ' A' ' 86' ' ' VAL . 67.4 t -123.11 111.79 31.1 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.519 0 N-CA-C 103.731 -2.692 . . . . 0.0 103.731 -165.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.427 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -129.75 138.8 51.28 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 116.463 -2.095 . . . . 0.0 110.801 -174.86 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.1 150.73 17.27 Favored Glycine 0 C--N 1.359 1.841 0 N-CA-C 106.481 -2.648 . . . . 0.0 106.481 171.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -134.21 31.88 2.73 Favored Glycine 0 C--N 1.351 1.373 0 N-CA-C 107.306 -2.317 . . . . 0.0 107.306 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.1 m -106.05 -53.68 2.6 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 126.72 2.008 . . . . 0.0 113.048 -169.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.3 m -164.11 154.16 14.7 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 105.225 -2.139 . . . . 0.0 105.225 -176.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -52.46 -46.2 66.38 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 130.866 3.666 . . . . 0.0 115.799 175.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.47 -36.28 65.81 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 129.726 3.21 . . . . 0.0 113.903 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -68.04 -36.33 79.72 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 127.068 2.147 . . . . 0.0 113.027 177.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.471 ' CB ' ' H ' ' A' ' 121' ' ' LYS . . . -68.53 -36.38 78.77 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 128.456 2.702 . . . . 0.0 114.406 174.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -77.72 -32.64 53.0 Favored 'General case' 0 C--N 1.366 1.311 0 O-C-N 120.549 -1.344 . . . . 0.0 112.363 171.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -62.5 -45.17 94.24 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 127.839 2.456 . . . . 0.0 112.328 172.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.476 ' HA ' ' HG3' ' A' ' 85' ' ' ARG 0.285 19.5 pt -65.36 -39.66 86.0 Favored 'Isoleucine or valine' 0 C--N 1.38 1.917 0 CA-C-N 119.78 1.173 . . . . 0.0 113.689 172.293 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.0 t -62.49 -49.62 74.67 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 127.127 2.171 . . . . 0.0 112.945 174.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 t -65.85 -42.14 90.84 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 128.961 2.904 . . . . 0.0 113.912 173.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.476 ' HG3' ' HA ' ' A' ' 82' ' ' ILE 0.467 0.0 OUTLIER -70.76 -29.39 65.61 Favored 'General case' 0 C--N 1.379 1.888 0 C-N-CA 125.69 1.596 . . . . 0.0 115.215 174.318 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.431 HG11 HG21 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -69.25 -49.18 63.5 Favored 'Isoleucine or valine' 0 C--N 1.384 2.089 0 C-N-CA 125.503 1.521 . . . . 0.0 110.676 170.27 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.251 0.3 OUTLIER -58.6 -40.29 82.84 Favored 'General case' 0 C--N 1.372 1.584 0 C-N-CA 128.302 2.641 . . . . 0.0 112.76 174.549 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.7 -46.1 87.03 Favored 'General case' 0 C--N 1.376 1.719 0 C-N-CA 126.108 1.763 . . . . 0.0 113.463 170.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.426 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -61.63 -42.05 98.35 Favored 'General case' 0 C--N 1.379 1.872 0 C-N-CA 126.873 2.069 . . . . 0.0 114.684 171.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.447 HD11 ' CZ ' ' A' ' 68' ' ' PHE . 1.6 mp -50.51 -49.25 56.1 Favored 'General case' 0 C--N 1.379 1.869 0 C-N-CA 129.024 2.93 . . . . 0.0 113.928 175.203 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.781 0.2 OUTLIER -106.11 11.61 31.19 Favored 'General case' 0 C--N 1.376 1.72 0 N-CA-C 117.514 2.413 . . . . 0.0 117.514 169.853 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.426 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -74.62 -41.77 59.8 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 119.214 -2.179 . . . . 0.0 107.348 172.817 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.465 ' HG2' ' OD1' ' A' ' 17' ' ' ASN 0.251 9.6 tptp -104.26 134.26 19.78 Favored Pre-proline 0 N--CA 1.431 -1.417 0 N-CA-C 103.182 -2.896 . . . . 0.0 103.182 175.274 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -78.95 152.49 24.81 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 123.688 2.925 . . . . 0.0 110.676 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.37 107.26 13.03 Favored 'General case' 0 C--N 1.36 1.048 0 CA-C-O 125.193 2.425 . . . . 0.0 113.462 -177.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 15.1 ttt -145.34 151.06 37.7 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 111.7 -2.5 . . . . 0.0 108.007 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.409 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 62.0 t80 -134.87 107.04 7.15 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 104.798 -2.297 . . . . 0.0 104.798 167.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 66.18 -76.0 0.05 OUTLIER 'General case' 0 C--N 1.35 0.607 1 C-N-CA 133.672 4.789 . . . . 0.0 116.673 170.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.24 19.75 2.47 Favored Glycine 0 CA--C 1.496 -1.118 0 N-CA-C 106.977 -2.449 . . . . 0.0 106.977 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -121.45 124.82 45.4 Favored 'General case' 0 C--N 1.366 1.31 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.3 m -121.67 138.02 54.51 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 125.487 1.515 . . . . 0.0 107.779 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.652 ' CE1' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -134.35 147.74 50.6 Favored 'General case' 0 C--N 1.345 0.38 0 C-N-CA 128.711 2.804 . . . . 0.0 105.447 -178.552 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.6 t -106.49 132.01 54.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 C-N-CA 127.285 2.234 . . . . 0.0 107.881 -175.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.88 138.8 34.98 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 126.387 1.875 . . . . 0.0 113.846 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -76.46 134.74 39.46 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 126.82 2.048 . . . . 0.0 114.467 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.14 126.59 49.14 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 125.674 1.59 . . . . 0.0 108.041 177.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -155.56 169.02 25.26 Favored 'General case' 0 C--N 1.358 0.936 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 -178.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.7 p -74.7 50.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.367 1.33 0 C-N-CA 127.621 2.368 . . . . 0.0 114.839 -177.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.62 61.99 2.32 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 127.225 2.21 . . . . 0.0 111.096 -177.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -128.73 12.64 6.33 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 124.906 1.282 . . . . 0.0 109.417 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -80.57 61.25 4.21 Favored 'General case' 0 C--N 1.36 1.065 0 N-CA-C 116.747 2.128 . . . . 0.0 116.747 -173.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.2 t -99.28 138.76 22.74 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 C-N-CA 127.142 2.177 . . . . 0.0 108.636 176.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 31.4 mm -106.44 158.19 6.64 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 C-N-CA 125.741 1.616 . . . . 0.0 108.268 176.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 96.8 m -108.35 139.14 43.5 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 129.217 3.007 . . . . 0.0 107.063 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -99.82 123.53 44.17 Favored 'General case' 0 C--N 1.362 1.111 0 O-C-N 119.739 -1.851 . . . . 0.0 110.354 177.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.9 p -64.51 -20.86 66.47 Favored 'General case' 0 C--N 1.363 1.184 0 C-N-CA 130.747 3.619 . . . . 0.0 115.602 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -90.04 -9.66 47.72 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 127.509 2.323 . . . . 0.0 112.894 177.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.31 47.16 4.75 Favored Glycine 0 C--N 1.364 2.131 0 O-C-N 121.189 -0.944 . . . . 0.0 115.175 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 14.3 t -93.63 148.48 4.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.925 0 C-N-CA 124.803 1.241 . . . . 0.0 113.19 -175.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.2 t -71.73 139.36 49.07 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 130.401 3.48 . . . . 0.0 111.114 175.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.471 ' H ' ' CB ' ' A' ' 79' ' ' ALA . 73.2 mmtt -94.04 140.92 29.13 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 120.307 -1.496 . . . . 0.0 112.99 -178.267 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -117.78 116.31 26.74 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 100.5 -3.889 . . . . 0.0 100.5 171.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -123.36 129.29 7.31 Favored Glycine 0 CA--C 1.484 -1.886 0 N-CA-C 107.851 -2.099 . . . . 0.0 107.851 -169.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -105.04 114.91 45.83 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 N-CA-C 103.101 -2.925 . . . . 0.0 103.101 176.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.3 mm -104.99 113.46 42.1 Favored 'Isoleucine or valine' 0 C--N 1.358 0.942 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 -172.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -124.17 136.52 54.25 Favored 'General case' 0 CA--C 1.492 -1.27 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -177.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 40.0 t -131.01 144.33 38.17 Favored 'Isoleucine or valine' 0 C--O 1.247 0.924 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 177.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -117.71 129.35 55.66 Favored 'General case' 0 C--N 1.362 1.123 0 N-CA-C 104.709 -2.33 . . . . 0.0 104.709 174.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -126.32 145.27 50.5 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 104.179 -2.526 . . . . 0.0 104.179 -173.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 46.0 m -135.69 142.17 45.06 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 119.908 -1.745 . . . . 0.0 109.705 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.4 HG23 ' HB3' ' A' ' 102' ' ' PHE . 4.9 pt -106.5 141.93 20.59 Favored 'Isoleucine or valine' 0 C--N 1.363 1.193 0 C-N-CA 129.643 3.177 . . . . 0.0 102.938 175.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -50.64 92.78 0.01 OUTLIER 'General case' 0 C--N 1.36 1.063 0 N-CA-C 121.267 3.802 . . . . 0.0 121.267 -166.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -93.41 174.12 7.36 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 126.02 1.728 . . . . 0.0 113.445 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -82.95 66.47 8.59 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 127.975 2.51 . . . . 0.0 113.462 177.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 22.2 p -87.74 90.54 8.42 Favored 'General case' 0 C--N 1.347 0.488 0 C-N-CA 125.753 1.621 . . . . 0.0 110.538 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.459 0 N-CA-C 108.78 -1.728 . . . . 0.0 108.78 -177.955 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 6.6 pm0 . . . . . 0 N--CA 1.435 -1.191 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -136.57 98.12 0.28 Allowed Glycine 0 C--N 1.357 1.749 0 C-N-CA 125.106 1.336 . . . . 0.0 110.557 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 26.0 tp 71.16 -64.79 0.37 Allowed 'General case' 0 C--N 1.365 1.276 0 C-N-CA 127.83 2.452 . . . . 0.0 116.328 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -120.96 125.63 47.89 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 127.053 2.141 . . . . 0.0 106.548 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.6 p -91.8 0.96 57.46 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 125.502 1.521 . . . . 0.0 114.348 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.287 1.8 t90 84.01 63.6 0.01 OUTLIER 'General case' 0 C--N 1.359 0.99 0 C-N-CA 131.069 3.748 . . . . 0.0 111.696 -177.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -102.88 171.68 7.26 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 126.895 2.078 . . . . 0.0 109.74 -176.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.411 ' H ' HD23 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -57.17 -27.16 61.65 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 128.92 2.888 . . . . 0.0 116.606 -177.481 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.53 -33.62 70.07 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 127.274 2.229 . . . . 0.0 114.244 173.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.565 ' HB3' HD12 ' A' ' 64' ' ' ILE . 6.9 m -57.04 -47.95 79.69 Favored 'General case' 0 C--N 1.367 1.355 0 C-N-CA 127.895 2.478 . . . . 0.0 113.579 176.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.492 78.3 ttt-85 -72.58 -35.7 67.98 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 131.228 3.811 . . . . 0.0 114.353 170.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.17 -22.91 4.74 Favored 'General case' 0 CA--C 1.566 1.575 0 O-C-N 118.488 -2.633 . . . . 0.0 114.241 167.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.587 HD13 ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -56.13 -33.58 65.29 Favored 'General case' 0 C--N 1.373 1.629 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 160.786 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.587 ' N ' HD13 ' A' ' 10' ' ' LEU . 7.9 tp60 -70.48 -37.88 74.3 Favored 'General case' 0 C--N 1.374 1.643 0 C-N-CA 128.708 2.803 . . . . 0.0 110.282 172.257 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -64.83 -32.5 74.22 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.777 -1.202 . . . . 0.0 114.232 167.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.19 -33.09 67.39 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 127.019 2.127 . . . . 0.0 112.143 171.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.8 m -69.96 -44.64 69.09 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 127.927 2.491 . . . . 0.0 111.197 172.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.18 -30.71 50.38 Favored 'Isoleucine or valine' 0 C--N 1.366 1.303 0 C-N-CA 126.837 2.055 . . . . 0.0 112.802 170.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -70.44 -36.18 73.8 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 124.294 1.038 . . . . 0.0 112.172 170.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . 0.423 12.9 p30 -62.48 -36.52 82.74 Favored 'General case' 0 C--N 1.365 1.272 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 168.22 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 mt -61.62 -40.64 95.59 Favored 'General case' 0 C--N 1.37 1.474 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 167.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -26.44 59.59 Favored 'General case' 0 C--N 1.37 1.461 0 C-N-CA 125.512 1.525 . . . . 0.0 113.768 173.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -86.79 -22.13 26.07 Favored 'General case' 0 C--N 1.371 1.501 0 C-N-CA 127.007 2.123 . . . . 0.0 113.571 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -81.11 98.45 8.02 Favored 'General case' 0 C--N 1.357 0.912 0 C-N-CA 124.866 1.266 . . . . 0.0 111.868 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.403 6.2 pt20 -40.58 -48.49 6.96 Favored Pre-proline 0 C--N 1.368 1.388 0 N-CA-C 121.036 3.717 . . . . 0.0 121.036 -174.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -65.9 -20.47 58.04 Favored 'Trans proline' 0 CA--C 1.552 1.378 0 CA-C-N 127.139 3.585 . . . . 0.0 115.694 168.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 tt -76.18 -26.05 55.82 Favored 'General case' 0 C--N 1.375 1.698 0 CA-C-N 122.357 2.344 . . . . 0.0 113.173 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 67.3 mtp -65.65 -27.99 68.77 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 128.091 2.557 . . . . 0.0 113.272 175.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -82.49 -9.97 59.21 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 126.969 2.107 . . . . 0.0 112.251 172.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.9 mmt -102.33 -31.05 10.7 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 127.908 2.483 . . . . 0.0 111.868 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.438 HG21 ' HB ' ' A' ' 31' ' ' VAL . 6.1 m -122.86 144.39 32.48 Favored 'Isoleucine or valine' 0 C--N 1.364 1.227 0 O-C-N 119.713 -1.867 . . . . 0.0 110.431 178.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.39 -8.64 19.04 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 120.103 -1.623 . . . . 0.0 110.314 164.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.417 6.4 mm-40 -136.77 38.57 2.61 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 130.271 3.428 . . . . 0.0 116.419 -157.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.438 ' HB ' HG21 ' A' ' 28' ' ' VAL . 5.4 p -86.55 109.46 18.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 O-C-N 118.6 -2.563 . . . . 0.0 107.722 176.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.1 t -140.25 144.6 36.57 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 123.913 1.816 . . . . 0.0 113.549 -170.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -90.96 -29.9 17.15 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 126.433 1.893 . . . . 0.0 112.163 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.3 m -106.12 151.65 40.19 Favored Pre-proline 0 C--N 1.354 0.803 0 C-N-CA 127.085 2.154 . . . . 0.0 106.227 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -63.91 136.25 51.99 Favored 'Trans proline' 0 C--N 1.359 1.116 0 CA-C-N 124.061 2.486 . . . . 0.0 117.958 -164.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.57 27.27 0.6 Allowed Glycine 0 CA--C 1.496 -1.12 0 N-CA-C 104.268 -3.533 . . . . 0.0 104.268 176.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.348 0.0 OUTLIER -84.52 -10.73 57.18 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 127.721 2.409 . . . . 0.0 114.456 -167.327 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -92.41 1.39 57.27 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 129.395 3.078 . . . . 0.0 110.573 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -95.56 157.89 35.39 Favored Pre-proline 0 C--N 1.362 1.11 0 C-N-CA 126.008 1.723 . . . . 0.0 109.152 174.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -75.68 163.09 34.45 Favored 'Trans proline' 0 CA--C 1.546 1.116 0 C-N-CA 124.819 3.68 . . . . 0.0 114.734 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.441 ' CE2' ' HB3' ' A' ' 71' ' ' TRP . 4.7 m-30 -73.32 163.71 66.44 Favored Pre-proline 0 CA--C 1.56 1.352 0 C-N-CA 128.929 2.891 . . . . 0.0 114.247 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -80.96 147.57 73.78 Favored 'Cis proline' 0 C--N 1.361 1.209 0 CA-C-N 121.94 1.729 . . . . 0.0 111.362 -1.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.415 ' CE1' ' CZ3' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -173.98 167.52 4.27 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-O 121.793 0.806 . . . . 0.0 112.305 -172.004 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.4 t -137.49 125.95 33.2 Favored 'Isoleucine or valine' 0 C--N 1.371 1.514 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.288 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.567 HG22 ' CH2' ' A' ' 71' ' ' TRP . 5.2 m -117.03 152.1 18.83 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 121.039 -1.038 . . . . 0.0 110.794 174.144 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.2 mp -74.41 140.64 17.24 Favored 'Isoleucine or valine' 0 C--N 1.371 1.527 0 C-N-CA 126.449 1.9 . . . . 0.0 111.793 171.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.72 -177.91 36.92 Favored Glycine 0 CA--C 1.474 -2.475 0 C-N-CA 118.446 -1.835 . . . . 0.0 109.14 176.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -145.81 121.02 10.18 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 102.817 -3.031 . . . . 0.0 102.817 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.25 143.13 33.96 Favored 'General case' 0 C--N 1.366 1.306 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -174.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . 0.374 96.4 p 63.16 -112.03 0.38 Allowed 'General case' 0 C--N 1.361 1.092 0 C-N-CA 129.169 2.988 . . . . 0.0 114.979 -178.175 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.6 m 160.31 98.93 0.0 OUTLIER 'General case' 0 CA--C 1.505 -0.754 0 C-N-CA 128.656 2.782 . . . . 0.0 106.297 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.6 t -108.11 146.04 32.69 Favored Pre-proline 0 C--N 1.349 0.561 0 C-N-CA 125.086 1.354 . . . . 0.0 109.166 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -80.16 130.79 8.44 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 124.12 3.214 . . . . 0.0 112.602 -177.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -135.88 150.5 49.39 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.853 1.661 . . . . 0.0 108.574 178.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -122.34 152.4 40.17 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 125.718 1.607 . . . . 0.0 108.36 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.3 t -134.93 177.75 7.56 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.5 tttp 70.6 45.17 0.61 Allowed 'General case' 0 C--N 1.359 1.007 0 C-N-CA 129.126 2.97 . . . . 0.0 111.931 -176.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.6 t -169.8 -179.55 3.32 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 -177.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.2 p -71.95 59.21 0.36 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 129.293 3.037 . . . . 0.0 115.786 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -89.38 -51.19 5.69 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 128.059 2.544 . . . . 0.0 110.69 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 130.58 -169.47 21.36 Favored Glycine 0 C--N 1.352 1.446 0 N-CA-C 108.884 -1.686 . . . . 0.0 108.884 177.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -116.66 79.65 1.35 Allowed 'General case' 0 C--N 1.35 0.604 0 N-CA-C 104.608 -2.367 . . . . 0.0 104.608 177.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -125.99 138.41 53.74 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-O 123.625 1.679 . . . . 0.0 110.469 -176.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.565 HD12 ' HB3' ' A' ' 7' ' ' SER . 0.2 OUTLIER -124.14 135.52 63.37 Favored 'Isoleucine or valine' 0 C--N 1.361 1.081 0 N-CA-C 104.032 -2.581 . . . . 0.0 104.032 -177.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 91.1 m -130.01 120.63 25.06 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 66.6 mmm -147.0 151.34 36.8 Favored 'General case' 0 C--N 1.363 1.17 0 CA-C-N 121.186 1.812 . . . . 0.0 111.112 -176.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.85 163.64 17.22 Favored 'General case' 0 C--N 1.363 1.192 0 CA-C-O 124.576 2.131 . . . . 0.0 110.937 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.297 0.0 OUTLIER -142.51 140.22 31.75 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 102.65 -3.092 . . . . 0.0 102.65 173.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -112.49 118.1 34.21 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 101.654 -3.462 . . . . 0.0 101.654 -176.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.1 t -118.6 111.94 35.93 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.27 0 N-CA-C 105.265 -2.124 . . . . 0.0 105.265 -167.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.567 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -130.26 139.15 50.79 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 117.778 -1.569 . . . . 0.0 109.492 -176.4 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -140.51 171.04 24.18 Favored Glycine 0 CA--C 1.484 -1.849 0 N-CA-C 107.892 -2.083 . . . . 0.0 107.892 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -114.71 -150.41 10.0 Favored Glycine 0 C--N 1.355 1.613 0 C-N-CA 124.98 1.276 . . . . 0.0 111.192 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.26 31.1 m 73.2 -67.92 0.25 Allowed 'General case' 0 C--N 1.36 1.046 0 C-N-CA 128.317 2.647 . . . . 0.0 115.468 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.7 m -157.47 155.3 30.16 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 -176.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.33 -35.17 50.11 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 130.784 3.634 . . . . 0.0 114.878 177.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.28 -35.39 73.67 Favored 'General case' 0 C--N 1.362 1.121 0 C-N-CA 129.918 3.287 . . . . 0.0 115.215 173.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -69.99 -33.49 72.12 Favored 'General case' 0 C--N 1.371 1.508 0 C-N-CA 126.558 1.943 . . . . 0.0 113.913 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.457 ' HA ' HG12 ' A' ' 82' ' ' ILE . . . -61.89 -29.97 70.56 Favored 'General case' 0 C--N 1.366 1.294 0 C-N-CA 129.753 3.221 . . . . 0.0 114.652 175.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -77.12 -37.91 53.21 Favored 'General case' 0 C--N 1.363 1.196 0 C-N-CA 127.685 2.394 . . . . 0.0 111.138 174.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.17 -50.98 59.19 Favored 'General case' 0 C--N 1.37 1.497 0 C-N-CA 127.336 2.254 . . . . 0.0 111.953 173.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.457 HG12 ' HA ' ' A' ' 79' ' ' ALA 0.33 40.7 pt -61.6 -37.61 78.3 Favored 'Isoleucine or valine' 0 C--N 1.375 1.702 0 C-N-CA 125.045 1.338 . . . . 0.0 114.546 175.329 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . 0.25 15.6 p -68.13 -39.78 82.63 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 126.171 1.788 . . . . 0.0 112.734 173.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 t -67.76 -42.26 82.05 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 127.83 2.452 . . . . 0.0 112.831 173.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -63.79 -34.53 78.12 Favored 'General case' 0 C--N 1.374 1.631 0 C-N-CA 126.378 1.871 . . . . 0.0 112.627 172.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.252 4.7 t -64.05 -49.49 81.32 Favored 'Isoleucine or valine' 0 C--N 1.387 2.198 0 C-N-CA 125.199 1.399 . . . . 0.0 112.396 166.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.02 -48.19 74.78 Favored 'General case' 0 C--N 1.378 1.824 0 CA-C-N 123.324 2.784 . . . . 0.0 114.27 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 30.8 tt0 -59.65 -34.89 73.39 Favored 'General case' 0 C--N 1.374 1.643 0 C-N-CA 127.339 2.256 . . . . 0.0 112.517 174.274 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.57 -45.7 78.42 Favored 'General case' 0 C--N 1.38 1.893 0 C-N-CA 125.532 1.533 . . . . 0.0 114.017 167.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.259 33.9 mt -49.09 -45.57 43.44 Favored 'General case' 0 C--N 1.396 2.611 0 C-N-CA 127.681 2.392 . . . . 0.0 114.744 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.591 0.2 OUTLIER -103.19 10.27 37.86 Favored 'General case' 0 C--N 1.365 1.244 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 171.206 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.407 ' HB3' ' O ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -78.29 -45.64 22.22 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 119.304 -2.122 . . . . 0.0 109.12 175.896 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.02 101.74 47.16 Favored Pre-proline 0 C--N 1.356 0.867 0 N-CA-C 102.113 -3.292 . . . . 0.0 102.113 175.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.69 157.55 58.26 Favored 'Trans proline' 0 C--N 1.36 1.149 0 C-N-CA 124.028 3.152 . . . . 0.0 115.059 -170.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.6 mt -71.31 107.4 4.26 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 126.977 2.111 . . . . 0.0 115.717 -172.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 46.5 ttp -145.16 139.3 27.16 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 126.102 1.761 . . . . 0.0 108.435 176.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -134.77 108.17 7.82 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 178.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 71.53 22.32 4.17 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 130.036 3.334 . . . . 0.0 115.368 173.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 101.15 -5.75 56.01 Favored Glycine 0 C--N 1.353 1.495 0 C-N-CA 126.035 1.779 . . . . 0.0 112.013 -174.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -96.71 126.09 41.63 Favored 'General case' 0 C--N 1.361 1.072 0 CA-C-N 118.437 1.118 . . . . 0.0 109.364 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.2 p -93.44 153.03 18.72 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 127.354 2.261 . . . . 0.0 113.078 -175.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -136.29 139.2 42.48 Favored 'General case' 0 C--N 1.361 1.102 0 N-CA-C 105.928 -1.878 . . . . 0.0 105.928 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.3 t -107.09 115.88 49.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 C-N-CA 126.24 1.816 . . . . 0.0 108.762 -173.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.2 138.72 35.8 Favored 'General case' 0 C--N 1.367 1.347 0 N-CA-C 117.507 2.41 . . . . 0.0 117.507 -172.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -122.47 143.0 49.97 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 129.859 3.264 . . . . 0.0 107.131 177.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.1 tptm 83.35 130.49 0.05 OUTLIER 'General case' 0 C--N 1.366 1.291 0 C-N-CA 127.37 2.268 . . . . 0.0 116.882 174.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 97.6 mt -109.42 141.93 41.11 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 104.433 -2.432 . . . . 0.0 104.433 171.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.414 HG21 HG23 ' A' ' 125' ' ' ILE . 22.5 t -87.38 133.7 29.56 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 C-N-CA 124.474 1.11 . . . . 0.0 112.31 -174.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.9 mt -100.97 143.1 31.52 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 126.27 1.828 . . . . 0.0 109.372 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.41 69.89 1.96 Allowed 'General case' 0 C--N 1.356 0.851 0 C-N-CA 124.672 1.189 . . . . 0.0 112.355 -177.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -107.18 62.93 0.62 Allowed 'General case' 0 C--N 1.356 0.877 0 O-C-N 120.041 -1.662 . . . . 0.0 109.474 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.7 m -127.36 138.91 53.4 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 C-N-CA 129.089 2.956 . . . . 0.0 105.232 178.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.5 mt -107.87 149.36 11.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 C-N-CA 126.755 2.022 . . . . 0.0 110.592 -174.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 86.7 m -81.45 141.89 33.46 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 129.325 3.05 . . . . 0.0 110.781 176.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -95.29 141.02 29.37 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 125.528 1.531 . . . . 0.0 112.728 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.19 -22.72 0.42 Allowed 'General case' 0 C--N 1.367 1.346 1 C-N-CA 133.574 4.749 . . . . 0.0 118.557 -178.086 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -90.11 -13.69 35.24 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 127.232 2.213 . . . . 0.0 114.1 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.76 47.67 4.44 Favored Glycine 0 C--N 1.368 2.343 0 CA-C-N 120.66 1.573 . . . . 0.0 114.231 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 42.5 t -80.96 148.42 5.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 C-N-CA 127.549 2.339 . . . . 0.0 112.37 -176.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.0 p -61.68 131.97 51.71 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 129.28 3.032 . . . . 0.0 112.274 174.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -93.28 141.23 28.67 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 122.794 1.283 . . . . 0.0 113.749 -171.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -133.88 150.38 51.36 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 126.384 1.873 . . . . 0.0 110.167 -175.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -122.32 140.65 13.62 Favored Glycine 0 C--N 1.353 1.492 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 171.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.23 117.86 52.78 Favored 'Isoleucine or valine' 0 C--N 1.367 1.34 0 N-CA-C 103.568 -2.753 . . . . 0.0 103.568 172.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.414 HG23 HG21 ' A' ' 108' ' ' VAL . 15.3 mm -112.74 117.89 56.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 CA-C-N 114.507 -1.224 . . . . 0.0 108.106 -170.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -116.73 140.14 49.76 Favored 'General case' 0 C--N 1.37 1.485 0 CA-C-O 121.325 0.583 . . . . 0.0 109.907 175.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -136.0 157.56 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 169.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . 0.273 24.9 ttt180 -134.49 141.59 46.79 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 126.707 2.003 . . . . 0.0 110.209 174.322 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.455 ' CE2' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -133.38 144.38 49.53 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 104.643 -2.355 . . . . 0.0 104.643 -175.905 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 88.3 m -134.89 142.98 46.71 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 126.667 1.987 . . . . 0.0 106.465 -174.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 9.7 tp -120.08 136.29 57.63 Favored 'Isoleucine or valine' 0 C--N 1.363 1.159 0 O-C-N 119.909 -1.744 . . . . 0.0 108.427 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -149.88 178.31 9.02 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -80.29 85.68 5.77 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 126.216 1.806 . . . . 0.0 112.954 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . 0.267 0.4 OUTLIER 89.07 47.5 0.01 OUTLIER 'General case' 0 C--N 1.355 0.806 0 C-N-CA 128.043 2.537 . . . . 0.0 113.207 173.193 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 8.9 t -102.22 129.62 48.67 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 120.726 -1.234 . . . . 0.0 108.214 172.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.519 0 N-CA-C 108.268 -1.933 . . . . 0.0 108.268 -178.921 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 . . . . . 0 N--CA 1.44 -0.945 0 CA-C-O 121.946 0.879 . . . . 0.0 109.075 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -85.92 2.05 87.8 Favored Glycine 0 C--N 1.359 1.829 0 C-N-CA 125.759 1.647 . . . . 0.0 114.388 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -89.9 59.72 4.69 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 128.205 2.602 . . . . 0.0 111.002 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -110.3 -108.53 0.34 Allowed 'General case' 0 C--N 1.359 0.996 0 C-N-CA 127.49 2.316 . . . . 0.0 109.737 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.8 t -169.98 178.77 3.83 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 102.261 -3.237 . . . . 0.0 102.261 177.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -154.07 164.44 38.48 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 -175.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -112.86 90.22 3.29 Favored 'General case' 0 C--N 1.36 1.049 0 N-CA-C 102.238 -3.245 . . . . 0.0 102.238 174.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.6 tp -56.92 -51.27 69.78 Favored 'General case' 0 C--N 1.369 1.436 0 N-CA-C 120.054 3.353 . . . . 0.0 120.054 -163.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.26 -51.43 37.53 Favored 'General case' 0 C--N 1.367 1.341 0 CA-C-N 122.073 2.215 . . . . 0.0 113.146 174.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.401 ' HB3' HG13 ' A' ' 64' ' ' ILE . 8.5 m -58.5 -48.65 80.1 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 129.399 3.08 . . . . 0.0 117.469 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.523 9.2 tpt180 -73.9 -37.84 64.55 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.279 2.231 . . . . 0.0 114.146 172.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.296 . . -58.51 -22.68 55.97 Favored 'General case' 0 C--N 1.367 1.354 0 O-C-N 117.965 -2.959 . . . . 0.0 115.383 170.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.483 HD22 ' CG ' ' A' ' 102' ' ' PHE 0.319 0.4 OUTLIER -63.62 -28.71 70.1 Favored 'General case' 0 C--N 1.377 1.772 0 O-C-N 120.414 -1.429 . . . . 0.0 114.776 161.059 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.291 1.0 OUTLIER -67.95 -38.23 82.55 Favored 'General case' 0 C--N 1.383 2.038 0 O-C-N 118.619 -2.551 . . . . 0.0 109.858 174.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -66.01 -29.76 70.19 Favored 'General case' 0 C--N 1.368 1.397 0 CA-C-N 113.609 -1.632 . . . . 0.0 113.898 166.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.26 -42.73 79.2 Favored 'General case' 0 C--N 1.37 1.484 0 C-N-CA 125.562 1.545 . . . . 0.0 111.978 168.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.3 p -57.25 -41.79 80.31 Favored 'General case' 0 C--N 1.382 2.015 0 C-N-CA 126.124 1.77 . . . . 0.0 111.918 172.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -69.74 -33.8 57.96 Favored 'Isoleucine or valine' 0 C--N 1.369 1.428 0 CA-C-N 114.676 -1.147 . . . . 0.0 114.063 176.058 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -71.42 -29.93 65.48 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 170.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.444 ' OD1' ' HG2' ' A' ' 93' ' ' LYS . 8.6 m-20 -69.71 -39.14 77.05 Favored 'General case' 0 C--N 1.372 1.547 0 O-C-N 120.312 -1.492 . . . . 0.0 112.118 171.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.72 -46.28 88.86 Favored 'General case' 0 C--N 1.373 1.623 0 C-N-CA 126.78 2.032 . . . . 0.0 112.45 172.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.261 0.0 OUTLIER -69.13 -25.38 64.36 Favored 'General case' 0 C--N 1.363 1.167 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 172.66 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.548 ' HB2' ' HD3' ' A' ' 93' ' ' LYS . 14.1 m -84.68 -21.84 30.02 Favored 'General case' 0 C--N 1.385 2.111 0 CA-C-N 120.023 1.283 . . . . 0.0 114.214 177.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.513 ' CD2' ' HB2' ' A' ' 89' ' ' ALA . 43.4 t80 -75.8 98.08 4.06 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.425 ' HG3' ' HD3' ' A' ' 23' ' ' PRO 0.314 6.6 pt20 -42.36 -44.39 8.99 Favored Pre-proline 0 C--N 1.369 1.439 0 N-CA-C 118.567 2.803 . . . . 0.0 118.567 178.729 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.425 ' HD3' ' HG3' ' A' ' 22' ' ' GLN . 16.7 Cg_exo -65.4 -21.95 60.21 Favored 'Trans proline' 0 C--N 1.363 1.333 0 C-N-CA 124.703 3.602 . . . . 0.0 116.264 170.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.403 HD23 ' HB2' ' A' ' 89' ' ' ALA 0.405 3.4 pp -86.89 -18.28 31.22 Favored 'General case' 0 C--N 1.382 2.02 0 CA-C-N 124.342 3.247 . . . . 0.0 113.269 176.685 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 84.7 mmm -67.19 -28.61 68.24 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 127.237 2.215 . . . . 0.0 115.0 174.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -78.07 -25.64 47.77 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 127.158 2.183 . . . . 0.0 112.9 177.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 48.3 tpp -102.79 -40.15 6.69 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 125.21 1.404 . . . . 0.0 114.6 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.435 HG13 HH12 ' A' ' 85' ' ' ARG . 11.4 m -121.61 142.66 36.93 Favored 'Isoleucine or valine' 0 C--N 1.372 1.566 0 O-C-N 117.923 -2.986 . . . . 0.0 107.171 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -102.63 -36.61 8.28 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-O 125.722 2.677 . . . . 0.0 111.83 -178.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -98.24 37.06 1.49 Allowed 'General case' 0 N--CA 1.435 -1.207 1 C-N-CA 136.275 5.83 . . . . 0.0 111.159 -172.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 31' ' ' VAL . 1.1 p -87.93 106.52 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.159 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 172.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.9 t -146.45 168.73 20.46 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-O 123.082 1.42 . . . . 0.0 113.612 -165.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -98.78 -16.51 18.89 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 127.802 2.441 . . . . 0.0 113.137 178.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.6 m -174.4 -68.6 0.0 OUTLIER Pre-proline 0 C--N 1.36 1.046 0 CA-C-O 116.89 -1.529 . . . . 0.0 110.603 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -73.13 137.2 25.88 Favored 'Trans proline' 0 C--N 1.363 1.326 0 CA-C-N 126.84 3.479 . . . . 0.0 112.451 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.43 12.32 38.93 Favored Glycine 0 C--N 1.356 1.689 0 O-C-N 120.665 -1.272 . . . . 0.0 111.83 -174.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -23.38 29.85 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 128.011 2.524 . . . . 0.0 116.31 -176.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -105.89 15.43 26.63 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 127.647 2.379 . . . . 0.0 110.014 -177.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -89.84 164.9 26.91 Favored Pre-proline 0 C--N 1.359 1.009 0 C-N-CA 125.851 1.66 . . . . 0.0 110.675 177.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -74.6 155.4 44.9 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 124.178 3.252 . . . . 0.0 115.142 -175.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -68.59 142.22 93.86 Favored Pre-proline 0 C--N 1.362 1.123 0 C-N-CA 129.042 2.937 . . . . 0.0 114.397 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -85.7 148.53 44.46 Favored 'Cis proline' 0 CA--C 1.546 1.082 0 CA-C-N 122.422 1.901 . . . . 0.0 115.329 5.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -168.35 167.85 11.72 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 124.993 1.317 . . . . 0.0 113.458 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.434 HG22 HG23 ' A' ' 70' ' ' VAL . 44.7 t -132.21 131.7 60.93 Favored 'Isoleucine or valine' 0 C--N 1.395 2.554 0 O-C-N 121.09 -1.007 . . . . 0.0 110.504 179.189 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.419 HG22 ' CH2' ' A' ' 71' ' ' TRP . 25.3 m -121.92 151.72 25.59 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 O-C-N 119.817 -1.802 . . . . 0.0 109.955 177.207 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.6 mt -82.68 139.9 17.15 Favored 'Isoleucine or valine' 0 C--N 1.368 1.39 0 C-N-CA 125.481 1.512 . . . . 0.0 107.871 165.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.84 -152.59 6.11 Favored Glycine 0 N--CA 1.441 -0.997 0 N-CA-C 106.234 -2.746 . . . . 0.0 106.234 174.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -146.86 151.9 37.83 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 176.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -94.85 153.72 17.58 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 125.744 1.617 . . . . 0.0 108.664 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.2 m -69.25 68.11 0.19 Allowed 'General case' 0 C--N 1.356 0.86 0 N-CA-C 117.046 2.239 . . . . 0.0 117.046 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.3 m -81.44 23.6 0.61 Allowed 'General case' 0 C--N 1.363 1.183 0 C-N-CA 127.116 2.166 . . . . 0.0 114.968 -178.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.337 1.5 t -74.27 -34.94 2.09 Favored Pre-proline 0 C--N 1.361 1.088 0 CA-C-O 114.69 -2.576 . . . . 0.0 116.078 179.037 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -87.99 114.09 0.86 Allowed 'Trans proline' 0 C--N 1.368 1.571 0 CA-C-N 127.296 3.641 . . . . 0.0 108.991 170.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -127.65 150.12 49.89 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 120.495 -1.378 . . . . 0.0 112.581 -173.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -117.44 -64.45 1.3 Allowed 'General case' 0 C--N 1.357 0.933 0 C-N-CA 125.199 1.399 . . . . 0.0 109.869 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 p -122.43 139.25 54.07 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 125.813 1.645 . . . . 0.0 108.364 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . 0.312 40.5 tptt 85.4 34.86 0.03 OUTLIER 'General case' 0 C--N 1.364 1.207 0 C-N-CA 128.486 2.714 . . . . 0.0 114.735 178.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.9 p -92.94 54.61 2.21 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 127.987 2.515 . . . . 0.0 110.446 177.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.6 p -123.76 112.62 17.55 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 128.1 2.56 . . . . 0.0 107.507 -176.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -102.06 140.11 36.79 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 126.063 1.745 . . . . 0.0 113.689 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 156.92 -44.67 0.51 Allowed Glycine 0 C--N 1.358 1.751 0 O-C-N 121.611 -0.68 . . . . 0.0 112.515 176.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -135.02 61.4 1.67 Allowed 'General case' 0 C--N 1.361 1.066 0 C-N-CA 125.259 1.424 . . . . 0.0 107.95 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -139.82 127.53 21.84 Favored 'General case' 0 C--N 1.352 0.693 0 O-C-N 120.609 -1.307 . . . . 0.0 111.609 -173.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.401 HG13 ' HB3' ' A' ' 7' ' ' SER . 0.2 OUTLIER -108.37 125.05 65.16 Favored 'Isoleucine or valine' 0 C--N 1.366 1.301 0 C-N-CA 128.925 2.89 . . . . 0.0 103.818 177.686 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 p -130.41 124.48 32.23 Favored 'General case' 0 C--N 1.356 0.888 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.3 ptm -145.63 157.73 43.93 Favored 'General case' 0 C--N 1.366 1.324 0 O-C-N 121.239 -0.913 . . . . 0.0 111.83 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -134.41 143.17 47.42 Favored 'General case' 0 C--N 1.369 1.42 0 CA-C-O 122.197 0.999 . . . . 0.0 109.239 172.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.25 0.1 OUTLIER -120.9 130.36 53.86 Favored 'General case' 0 CA--C 1.559 1.296 0 N-CA-C 102.424 -3.176 . . . . 0.0 102.424 169.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -113.32 121.03 43.16 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 127.367 2.267 . . . . 0.0 106.305 -174.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.434 HG23 HG22 ' A' ' 44' ' ' VAL . 2.8 p -119.72 120.52 63.63 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.93 0 C-N-CA 126.266 1.826 . . . . 0.0 107.454 -170.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.419 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -134.97 138.37 43.95 Favored 'General case' 0 C--N 1.37 1.461 0 C-N-CA 117.523 -1.671 . . . . 0.0 109.818 -178.865 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -138.75 90.29 0.2 Allowed Glycine 0 C--N 1.356 1.689 0 N-CA-C 107.528 -2.229 . . . . 0.0 107.528 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.71 45.26 3.37 Favored Glycine 0 C--N 1.359 1.86 0 C-N-CA 126.534 2.016 . . . . 0.0 115.673 -176.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.3 m -105.8 -48.07 3.73 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 128.0 2.52 . . . . 0.0 111.838 -177.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.3 m -163.38 153.74 15.88 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 104.181 -2.525 . . . . 0.0 104.181 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.529 ' HD2' ' H ' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -57.4 -34.61 69.07 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 130.796 3.638 . . . . 0.0 115.231 177.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.83 -35.65 81.8 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 126.945 2.098 . . . . 0.0 114.357 173.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.99 -33.52 74.47 Favored 'General case' 0 C--N 1.371 1.522 0 C-N-CA 127.919 2.488 . . . . 0.0 113.756 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.418 ' HA ' HG12 ' A' ' 82' ' ' ILE . . . -63.1 -32.41 73.78 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 126.689 1.996 . . . . 0.0 114.541 175.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -73.63 -42.45 61.43 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 128.417 2.687 . . . . 0.0 111.137 174.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -67.06 -50.87 60.39 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 127.864 2.466 . . . . 0.0 112.871 176.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.418 HG12 ' HA ' ' A' ' 79' ' ' ALA 0.355 19.6 pt -62.11 -37.02 77.4 Favored 'Isoleucine or valine' 0 C--N 1.373 1.62 0 C-N-CA 125.857 1.663 . . . . 0.0 114.851 175.398 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.1 t -62.45 -50.72 70.34 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 127.601 2.361 . . . . 0.0 112.698 169.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.2 m -61.04 -42.0 97.65 Favored 'General case' 0 C--N 1.37 1.498 0 C-N-CA 127.734 2.414 . . . . 0.0 112.553 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.435 HH12 HG13 ' A' ' 28' ' ' VAL . 22.9 ttp180 -66.31 -46.91 75.27 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 129.365 3.066 . . . . 0.0 112.92 173.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.426 3.5 p -70.31 -40.8 78.27 Favored 'Isoleucine or valine' 0 C--N 1.37 1.495 0 O-C-N 119.568 -1.957 . . . . 0.0 116.051 175.01 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.411 1.5 pp -68.8 -33.18 73.42 Favored 'General case' 0 C--N 1.382 1.999 0 O-C-N 119.063 -2.273 . . . . 0.0 113.862 172.468 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -63.51 -47.2 82.68 Favored 'General case' 0 C--N 1.377 1.77 0 CA-C-O 116.774 -1.584 . . . . 0.0 111.994 170.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.513 ' HB2' ' CD2' ' A' ' 21' ' ' TYR . . . -54.45 -47.88 72.39 Favored 'General case' 0 C--N 1.375 1.712 0 C-N-CA 126.892 2.077 . . . . 0.0 115.636 169.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.6 mt -55.89 -38.69 70.51 Favored 'General case' 0 C--N 1.379 1.853 0 C-N-CA 126.805 2.042 . . . . 0.0 115.673 176.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.576 0.2 OUTLIER -107.85 10.35 28.63 Favored 'General case' 0 C--N 1.368 1.406 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 169.094 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -47.21 22.23 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 124.281 1.991 . . . . 0.0 107.247 177.013 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.548 ' HD3' ' HB2' ' A' ' 20' ' ' SER . 16.3 tttm -118.81 123.43 29.05 Favored Pre-proline 0 N--CA 1.429 -1.5 0 N-CA-C 102.043 -3.317 . . . . 0.0 102.043 176.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.4 151.36 25.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 124.217 3.278 . . . . 0.0 111.192 -175.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.37 106.64 18.38 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-O 124.443 2.068 . . . . 0.0 108.711 178.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 61.9 ttp -143.28 141.66 31.09 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 102.899 -3.0 . . . . 0.0 102.899 -175.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -127.98 113.31 15.67 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.021 1.329 . . . . 0.0 107.599 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 67.82 12.85 9.02 Favored 'General case' 0 C--N 1.362 1.118 0 C-N-CA 130.328 3.451 . . . . 0.0 115.797 175.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.15 -2.21 35.2 Favored Glycine 0 C--N 1.352 1.418 0 C-N-CA 126.204 1.859 . . . . 0.0 111.614 -171.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -90.49 124.32 34.9 Favored 'General case' 0 C--N 1.368 1.402 0 CA-C-N 119.262 1.531 . . . . 0.0 110.977 -178.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.1 m -108.8 153.83 22.93 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 125.11 1.364 . . . . 0.0 110.227 -176.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.483 ' CG ' HD22 ' A' ' 10' ' ' LEU . 10.7 m-85 -131.0 156.18 45.57 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 125.62 1.568 . . . . 0.0 107.189 -173.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.8 t -106.54 119.98 56.91 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 -176.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.46 115.72 20.92 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 124.282 1.033 . . . . 0.0 110.478 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -95.98 94.2 7.45 Favored 'General case' 0 C--N 1.358 0.937 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -171.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . 0.261 57.8 tttm 80.4 108.14 0.07 Allowed 'General case' 0 C--N 1.367 1.357 0 C-N-CA 128.692 2.797 . . . . 0.0 114.95 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 53.2 mt -90.99 114.56 27.1 Favored 'General case' 0 C--N 1.362 1.145 0 O-C-N 120.372 -1.455 . . . . 0.0 111.645 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . 0.342 45.4 t 79.6 80.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.229 0 C-N-CA 127.846 2.459 . . . . 0.0 111.405 -179.042 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 pp -103.89 23.35 13.0 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 126.686 1.994 . . . . 0.0 111.897 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -158.38 134.49 9.21 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 125.79 1.636 . . . . 0.0 106.904 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.32 120.99 39.69 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 125.659 1.584 . . . . 0.0 113.372 -178.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.1 m -109.85 127.38 66.75 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 N-CA-C 104.731 -2.322 . . . . 0.0 104.731 172.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.0 tp -129.38 167.13 25.31 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.548 0 O-C-N 120.724 -1.235 . . . . 0.0 110.904 -172.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 36.8 m -71.35 111.37 6.62 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 130.19 3.396 . . . . 0.0 111.331 176.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.08 118.32 36.24 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 125.895 1.678 . . . . 0.0 108.556 178.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.27 -20.45 61.52 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 130.092 3.357 . . . . 0.0 117.432 -177.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -76.64 -13.84 60.03 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 119.927 3.306 . . . . 0.0 119.927 -172.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.56 46.71 4.82 Favored Glycine 0 C--N 1.363 2.051 0 CA-C-N 120.78 1.627 . . . . 0.0 114.685 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 6.7 p -100.59 148.22 7.09 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 C-N-CA 126.406 1.882 . . . . 0.0 108.322 177.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.4 m -70.23 119.04 13.82 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 126.183 1.793 . . . . 0.0 110.511 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -93.02 139.41 30.56 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 123.095 1.426 . . . . 0.0 114.295 -171.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -123.1 148.2 45.93 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 129.281 3.032 . . . . 0.0 108.101 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -119.17 123.26 5.6 Favored Glycine 0 C--N 1.364 2.114 0 N-CA-C 105.823 -2.911 . . . . 0.0 105.823 172.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 20.3 tt -117.59 115.77 49.68 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 N-CA-C 103.85 -2.648 . . . . 0.0 103.85 178.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 48.5 mt -119.54 118.83 58.6 Favored 'Isoleucine or valine' 0 C--N 1.364 1.239 0 N-CA-C 106.071 -1.825 . . . . 0.0 106.071 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.4 tttp -107.1 139.52 41.39 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 173.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 62.0 t -126.5 141.1 46.95 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 169.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -112.88 133.94 54.62 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 128.385 2.674 . . . . 0.0 105.254 173.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -130.11 125.57 35.45 Favored 'General case' 0 CA--C 1.5 -0.98 0 N-CA-C 102.557 -3.127 . . . . 0.0 102.557 -177.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 37.3 m -120.62 141.04 50.71 Favored 'General case' 0 C--N 1.343 0.295 0 N-CA-C 105.173 -2.158 . . . . 0.0 105.173 -177.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.1 pt -129.12 138.72 53.74 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.898 0 N-CA-C 104.277 -2.49 . . . . 0.0 104.277 178.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -93.61 -118.89 0.09 Allowed 'General case' 0 C--N 1.36 1.046 0 CA-C-N 119.598 1.09 . . . . 0.0 112.728 -175.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.75 104.36 3.72 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 120.182 -1.573 . . . . 0.0 107.026 -178.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -120.62 57.56 0.96 Allowed 'General case' 0 C--N 1.357 0.914 0 N-CA-C 106.363 -1.718 . . . . 0.0 106.363 174.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 11.4 t -117.6 155.35 29.99 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 125.804 1.641 . . . . 0.0 108.932 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.635 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 -179.761 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.76 -39.99 79.99 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 125.065 1.346 . . . . 0.0 114.042 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -46.36 90.18 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 127.536 2.334 . . . . 0.0 113.837 175.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.667 1.1 tpt180 -72.55 -36.43 68.25 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-O 124.709 2.195 . . . . 0.0 114.145 176.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.64 -23.68 52.46 Favored 'General case' 0 CA--C 1.567 1.606 0 O-C-N 119.436 -2.04 . . . . 0.0 115.263 163.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.568 ' CD2' HG21 ' A' ' 64' ' ' ILE 0.301 0.2 OUTLIER -63.6 -29.58 70.81 Favored 'General case' 0 C--N 1.385 2.136 0 O-C-N 119.019 -2.301 . . . . 0.0 113.33 165.077 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.251 2.2 tt0 -69.32 -37.14 77.59 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 126.21 1.804 . . . . 0.0 110.072 171.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -63.99 -36.86 85.36 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 166.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.0 -33.52 68.16 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 127.321 2.248 . . . . 0.0 111.679 174.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.403 ' HA ' ' OD1' ' A' ' 17' ' ' ASN . 57.1 m -70.42 -39.24 74.53 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 127.54 2.336 . . . . 0.0 110.89 173.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.1 t -65.42 -30.84 51.43 Favored 'Isoleucine or valine' 0 C--N 1.374 1.635 0 O-C-N 120.154 -1.591 . . . . 0.0 111.432 168.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -68.53 -36.18 78.47 Favored 'General case' 0 C--N 1.368 1.378 0 O-C-N 119.686 -1.884 . . . . 0.0 115.506 170.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.491 ' HB3' ' HG2' ' A' ' 93' ' ' LYS 0.302 1.2 p-10 -68.82 -36.39 78.15 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 121.057 1.753 . . . . 0.0 113.371 165.651 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.03 -40.38 95.51 Favored 'General case' 0 C--N 1.376 1.734 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 171.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -77.5 -27.27 51.79 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 124.488 1.115 . . . . 0.0 113.127 173.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 m -80.89 -20.53 42.0 Favored 'General case' 0 C--N 1.378 1.823 0 O-C-N 120.624 -1.297 . . . . 0.0 113.122 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -88.69 93.13 9.46 Favored 'General case' 0 C--N 1.36 1.044 0 CA-C-O 124.658 2.17 . . . . 0.0 112.546 -178.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.289 5.4 pt20 -51.78 -39.57 62.72 Favored Pre-proline 0 C--N 1.362 1.11 0 C-N-CA 129.88 3.272 . . . . 0.0 118.363 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -65.08 -19.59 63.32 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 124.777 3.651 . . . . 0.0 115.417 169.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 tt -78.86 -43.85 24.15 Favored 'General case' 0 C--N 1.376 1.726 0 CA-C-N 122.493 2.406 . . . . 0.0 114.475 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.4 ptm -57.88 -25.97 61.48 Favored 'General case' 0 C--N 1.357 0.905 1 C-N-CA 132.048 4.139 . . . . 0.0 116.521 175.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -82.29 -22.01 35.9 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 126.207 1.803 . . . . 0.0 111.233 173.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 45.3 ttm -92.68 -30.95 15.3 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 127.893 2.477 . . . . 0.0 112.897 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.439 HG21 HG13 ' A' ' 31' ' ' VAL . 5.4 m -123.64 148.84 27.54 Favored 'Isoleucine or valine' 0 C--N 1.365 1.246 0 O-C-N 120.057 -1.652 . . . . 0.0 107.395 175.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -99.51 -8.52 24.51 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 118.84 -2.412 . . . . 0.0 109.702 170.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.627 ' HB3' ' HB2' ' A' ' 43' ' ' TYR 0.761 0.0 OUTLIER -122.88 40.96 3.57 Favored 'General case' 0 CA--C 1.478 -1.793 0 N-CA-C 121.523 3.897 . . . . 0.0 121.523 -158.834 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.439 HG13 HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -85.83 107.75 16.69 Favored 'Isoleucine or valine' 0 C--N 1.373 1.629 0 CA-C-N 123.022 2.647 . . . . 0.0 105.672 176.297 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.3 t -137.1 153.78 50.45 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 111.142 -2.754 . . . . 0.0 109.443 -173.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -92.14 45.95 1.24 Allowed 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.076 -1.64 . . . . 0.0 113.879 -178.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.429 16.9 m 116.98 -59.33 0.0 OUTLIER Pre-proline 0 C--N 1.358 0.948 0 C-N-CA 128.917 2.887 . . . . 0.0 112.779 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -72.41 136.43 26.28 Favored 'Trans proline' 0 C--N 1.359 1.126 0 CA-C-N 127.377 3.67 . . . . 0.0 114.386 -175.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.67 46.57 0.72 Allowed Glycine 0 C--N 1.355 1.629 0 N-CA-C 109.211 -1.556 . . . . 0.0 109.211 -177.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.25 -21.66 33.28 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 127.126 2.17 . . . . 0.0 112.359 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -104.74 16.02 26.81 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 129.641 3.177 . . . . 0.0 111.245 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.87 162.42 28.95 Favored Pre-proline 0 C--N 1.363 1.153 0 C-N-CA 124.729 1.211 . . . . 0.0 110.874 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -64.29 147.14 90.98 Favored 'Trans proline' 0 C--N 1.363 1.318 0 C-N-CA 124.249 3.299 . . . . 0.0 117.842 -167.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -87.04 137.41 33.14 Favored Pre-proline 0 C--N 1.35 0.595 0 C-N-CA 128.731 2.812 . . . . 0.0 111.021 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -75.84 148.22 89.8 Favored 'Cis proline' 0 C--N 1.363 1.314 0 CA-C-N 123.983 2.458 . . . . 0.0 113.447 -0.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.627 ' HB2' ' HB3' ' A' ' 30' ' ' GLN . 2.1 p90 -169.68 166.14 9.91 Favored 'General case' 0 CA--C 1.579 2.084 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 -175.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.422 HG13 ' HA ' ' A' ' 31' ' ' VAL . 2.4 p -138.97 135.05 42.53 Favored 'Isoleucine or valine' 0 C--N 1.407 3.076 0 N-CA-C 117.736 2.495 . . . . 0.0 117.736 -176.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.1 m -115.15 140.41 36.61 Favored 'Isoleucine or valine' 0 C--N 1.36 1.031 0 O-C-N 119.359 -2.088 . . . . 0.0 110.543 171.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 52.1 mt -96.44 138.96 20.32 Favored 'Isoleucine or valine' 0 C--N 1.366 1.293 0 C-N-CA 126.715 2.006 . . . . 0.0 109.958 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 179.24 -124.85 0.93 Allowed Glycine 0 C--N 1.365 2.139 0 C-N-CA 124.762 1.172 . . . . 0.0 114.44 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -145.14 162.14 37.78 Favored 'General case' 0 C--N 1.368 1.412 0 C-N-CA 127.219 2.207 . . . . 0.0 108.589 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 . . . . . 0 C--N 1.362 1.141 0 C-N-CA 125.087 1.355 . . . . 0.0 110.682 -179.463 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.447 -0.587 0 CA-C-O 121.372 0.606 . . . . 0.0 110.139 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.568 HG21 ' CD2' ' A' ' 10' ' ' LEU . 4.2 mp -123.25 131.65 72.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 C-N-CA 131.191 3.796 . . . . 0.0 102.741 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.2 m -131.54 136.11 47.59 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 118.888 -2.383 . . . . 0.0 109.229 -176.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.7 ttt -145.93 126.71 14.38 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 124.632 1.173 . . . . 0.0 110.278 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -116.73 151.06 37.18 Favored 'General case' 0 C--N 1.361 1.076 0 CA-C-O 122.74 1.257 . . . . 0.0 108.281 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.456 ' CZ ' HD11 ' A' ' 90' ' ' LEU . 1.2 m-85 -129.09 133.97 47.89 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 128.169 2.587 . . . . 0.0 105.729 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -126.21 119.13 26.68 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 125.462 1.505 . . . . 0.0 107.107 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.1 t -120.72 128.65 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.062 0 C-N-CA 124.906 1.282 . . . . 0.0 109.274 -170.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -122.19 106.63 11.31 Favored 'General case' 0 C--N 1.362 1.147 0 N-CA-C 106.86 -1.534 . . . . 0.0 106.86 173.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -85.91 -53.51 2.99 Favored Glycine 0 C--N 1.364 2.105 0 C-N-CA 126.831 2.158 . . . . 0.0 109.749 176.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.6 40.18 15.94 Favored Glycine 0 C--N 1.365 2.162 0 C-N-CA 126.39 1.948 . . . . 0.0 116.034 175.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.6 p -127.64 -119.52 0.25 Allowed 'General case' 0 C--N 1.358 0.973 0 CA-C-N 118.54 1.17 . . . . 0.0 111.162 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 p -122.39 168.92 11.49 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 127.019 2.127 . . . . 0.0 111.204 -172.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.05 -36.08 37.92 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 131.009 3.724 . . . . 0.0 119.26 -166.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.19 -35.64 78.31 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 127.787 2.435 . . . . 0.0 114.463 175.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -71.03 -33.08 69.98 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 126.691 1.996 . . . . 0.0 113.265 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.57 78.51 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 126.369 1.868 . . . . 0.0 113.686 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -77.45 -33.94 54.58 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 124.845 1.258 . . . . 0.0 112.309 172.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -66.42 -46.0 77.98 Favored 'General case' 0 C--N 1.372 1.582 0 C-N-CA 126.43 1.892 . . . . 0.0 112.812 171.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.7 pt -65.75 -42.76 93.12 Favored 'Isoleucine or valine' 0 C--N 1.373 1.596 0 CA-C-N 121.255 1.843 . . . . 0.0 113.838 173.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . 0.346 68.6 p -68.59 -44.04 75.21 Favored 'General case' 0 C--N 1.376 1.753 0 C-N-CA 125.965 1.706 . . . . 0.0 113.853 175.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.9 t -68.2 -36.16 79.13 Favored 'General case' 0 C--N 1.371 1.531 0 O-C-N 119.956 -1.715 . . . . 0.0 113.105 172.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -66.42 -42.94 87.02 Favored 'General case' 0 C--N 1.371 1.502 0 C-N-CA 125.048 1.339 . . . . 0.0 112.681 174.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.351 0.7 OUTLIER -64.64 -43.2 96.67 Favored 'Isoleucine or valine' 0 C--N 1.382 2.016 0 CA-C-N 120.375 1.443 . . . . 0.0 113.877 173.116 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.41 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 10.5 mp -71.54 -36.8 71.11 Favored 'General case' 0 C--N 1.378 1.844 0 O-C-N 119.233 -2.167 . . . . 0.0 113.016 174.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.31 -34.3 75.01 Favored 'General case' 0 C--N 1.38 1.908 0 C-N-CA 126.362 1.865 . . . . 0.0 112.28 172.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.44 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -67.25 -51.67 50.2 Favored 'General case' 0 C--N 1.372 1.567 0 CA-C-O 122.055 0.931 . . . . 0.0 111.691 167.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.456 HD11 ' CZ ' ' A' ' 68' ' ' PHE . 4.3 mp -49.76 -30.15 8.98 Favored 'General case' 0 C--N 1.374 1.659 0 C-N-CA 128.939 2.895 . . . . 0.0 118.05 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.352 0.2 OUTLIER -117.97 9.53 12.83 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 124.921 1.289 . . . . 0.0 112.039 169.347 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.44 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -71.61 -49.86 36.25 Favored 'General case' 0 C--N 1.372 1.572 0 O-C-N 119.02 -2.3 . . . . 0.0 107.578 176.58 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.491 ' HG2' ' HB3' ' A' ' 17' ' ' ASN 0.348 5.7 ptpt -115.52 122.31 33.14 Favored Pre-proline 0 C--N 1.356 0.89 0 N-CA-C 104.641 -2.355 . . . . 0.0 104.641 171.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -62.11 147.83 94.33 Favored 'Trans proline' 0 C--N 1.37 1.688 0 C-N-CA 124.73 3.62 . . . . 0.0 115.109 -173.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 60.8 mt -83.22 107.79 16.01 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-O 123.949 1.833 . . . . 0.0 115.542 -172.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 46.3 ttm -143.62 153.48 42.57 Favored 'General case' 0 N--CA 1.424 -1.731 0 N-CA-C 105.19 -2.152 . . . . 0.0 105.19 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -133.49 145.83 50.54 Favored 'General case' 0 N--CA 1.442 -0.863 1 C-N-CA 131.9 4.08 . . . . 0.0 101.167 178.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -49.64 77.59 0.0 OUTLIER 'General case' 0 C--N 1.349 0.58 1 C-N-CA 133.45 4.7 . . . . 0.0 117.157 -173.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 106.96 -6.4 37.27 Favored Glycine 0 C--N 1.353 1.512 0 C-N-CA 127.61 2.529 . . . . 0.0 112.651 -175.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -122.35 125.47 46.01 Favored 'General case' 0 C--N 1.367 1.356 0 CA-C-N 118.708 1.254 . . . . 0.0 114.262 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.1 m -115.3 144.02 44.39 Favored 'General case' 0 C--N 1.364 1.202 0 O-C-N 120.003 -1.686 . . . . 0.0 110.261 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.22 143.72 27.2 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 129.972 3.309 . . . . 0.0 104.319 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 37.7 t -114.99 139.67 40.05 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 C-N-CA 126.683 1.993 . . . . 0.0 109.008 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.62 108.82 14.59 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 125.029 1.332 . . . . 0.0 109.37 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? . . . . . 0 C--N 1.351 0.641 0 C-N-CA 125.651 1.58 . . . . 0.0 107.6 -170.096 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 54.1 m170 . . . . . 0 N--CA 1.448 -0.529 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -122.18 124.26 5.68 Favored Glycine 0 C--N 1.357 1.716 0 N-CA-C 108.002 -2.039 . . . . 0.0 108.002 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -116.22 118.76 59.84 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 N-CA-C 102.884 -3.006 . . . . 0.0 102.884 177.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.8 127.13 75.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 -173.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -123.49 120.28 32.45 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 18.0 t -125.47 141.61 44.81 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 CA-C-O 122.87 1.319 . . . . 0.0 108.001 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -132.54 140.25 48.22 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 126.432 1.893 . . . . 0.0 106.051 175.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -123.83 139.73 53.68 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 102.581 -3.118 . . . . 0.0 102.581 -176.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 52.5 m -122.77 137.77 54.83 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 121.241 0.543 . . . . 0.0 109.815 -172.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.1 pt . . . . . 0 C--N 1.361 1.095 0 N-CA-C 100.833 -3.765 . . . . 0.0 100.833 171.567 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.5 tp . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 122.434 1.112 . . . . 0.0 111.735 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.71 -35.07 68.09 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 129.132 2.973 . . . . 0.0 114.563 174.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 63.9 m -65.89 -48.2 72.28 Favored 'General case' 0 C--N 1.376 1.722 0 C-N-CA 126.062 1.745 . . . . 0.0 112.48 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.889 7.2 tpp85 -74.55 -37.03 63.11 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 118.631 -2.543 . . . . 0.0 117.576 170.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.422 ' HB1' ' CD1' ' A' ' 97' ' ' PHE . . . -54.85 -23.78 20.08 Favored 'General case' 0 CA--C 1.558 1.266 0 O-C-N 118.593 -2.567 . . . . 0.0 115.447 169.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.729 HD23 HG21 ' A' ' 64' ' ' ILE . 4.3 tp -60.11 -37.29 79.56 Favored 'General case' 0 C--N 1.375 1.681 0 C-N-CA 127.211 2.204 . . . . 0.0 112.505 163.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.28 -38.01 81.26 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 127.183 2.193 . . . . 0.0 110.251 176.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.464 0.0 OUTLIER -67.29 -30.76 70.7 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 116.427 2.01 . . . . 0.0 116.427 166.128 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.13 -33.83 68.1 Favored 'General case' 0 C--N 1.366 1.31 0 O-C-N 119.544 -1.972 . . . . 0.0 113.313 172.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.4 m -71.3 -34.87 71.01 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 128.709 2.804 . . . . 0.0 112.08 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.4 t -68.66 -31.21 49.99 Favored 'Isoleucine or valine' 0 C--N 1.37 1.46 0 C-N-CA 126.509 1.924 . . . . 0.0 109.157 168.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.409 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 10.8 tt0 -67.22 -31.81 72.43 Favored 'General case' 0 C--N 1.372 1.587 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 169.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.419 ' HA ' ' HG2' ' A' ' 93' ' ' LYS . 1.4 m120 -59.77 -49.92 75.83 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 125.435 1.494 . . . . 0.0 113.131 161.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.5 mp -55.93 -37.3 68.78 Favored 'General case' 0 C--N 1.369 1.446 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.409 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 10.8 pt-20 -90.18 -15.32 31.71 Favored 'General case' 0 C--N 1.369 1.417 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 173.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -90.95 -25.38 19.79 Favored 'General case' 0 C--N 1.381 1.971 0 CA-C-N 121.524 1.965 . . . . 0.0 110.805 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -75.91 103.34 5.94 Favored 'General case' 0 C--N 1.364 1.206 0 CA-C-O 122.931 1.348 . . . . 0.0 112.576 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -40.0 -49.44 5.99 Favored Pre-proline 0 C--N 1.364 1.199 1 C-N-CA 132.324 4.249 . . . . 0.0 117.864 -172.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.94 -22.85 62.4 Favored 'Trans proline' 0 C--N 1.358 1.037 0 C-N-CA 124.686 3.59 . . . . 0.0 114.808 173.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.8 mt -69.35 -20.97 63.84 Favored 'General case' 0 C--N 1.373 1.627 0 CA-C-N 121.851 2.114 . . . . 0.0 114.381 177.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 59.4 mtt -64.7 -29.77 70.77 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 128.127 2.571 . . . . 0.0 113.157 172.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -95.21 -30.14 14.15 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 128.169 2.588 . . . . 0.0 112.377 176.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.5 tpp -88.25 -31.05 19.23 Favored 'General case' 0 C--N 1.362 1.112 0 N-CA-C 119.028 2.973 . . . . 0.0 119.028 -173.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.672 HG23 ' HA ' ' A' ' 43' ' ' TYR . 2.2 p -131.03 147.15 33.06 Favored 'Isoleucine or valine' 0 C--N 1.367 1.347 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.25 8.9 t-20 -99.68 -27.18 13.79 Favored 'General case' 0 C--N 1.361 1.098 0 CA-C-O 124.708 2.194 . . . . 0.0 111.77 173.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.439 ' H ' HG22 ' A' ' 28' ' ' VAL 0.453 8.5 mm100 -120.74 39.91 3.66 Favored 'General case' 0 N--CA 1.423 -1.81 1 C-N-CA 133.152 4.581 . . . . 0.0 116.284 -152.101 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 p -87.63 110.05 20.25 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 CA-C-O 124.724 2.202 . . . . 0.0 107.032 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.0 t -142.02 149.02 39.44 Favored 'General case' 0 C--N 1.348 0.5 0 CA-C-N 112.315 -2.22 . . . . 0.0 109.428 -169.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -84.34 53.35 2.61 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -176.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.639 93.2 p 110.59 -60.65 0.0 OUTLIER Pre-proline 0 C--N 1.354 0.795 0 C-N-CA 128.677 2.791 . . . . 0.0 114.207 178.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -70.11 148.14 62.12 Favored 'Trans proline' 0 C--N 1.361 1.215 0 CA-C-N 127.444 3.694 . . . . 0.0 113.91 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.64 26.1 5.73 Favored Glycine 0 C--N 1.36 1.872 0 CA-C-N 119.221 0.919 . . . . 0.0 111.081 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -20.3 62.33 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 130.81 3.644 . . . . 0.0 113.669 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -106.46 15.33 26.09 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 127.735 2.414 . . . . 0.0 112.245 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.2 169.71 8.28 Favored Pre-proline 0 C--N 1.365 1.245 0 CA-C-O 117.082 -1.437 . . . . 0.0 111.536 -177.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.58 143.83 93.84 Favored 'Trans proline' 0 C--N 1.366 1.466 0 C-N-CA 125.208 3.939 . . . . 0.0 120.963 -168.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -91.26 137.8 26.02 Favored Pre-proline 0 C--N 1.356 0.886 0 C-N-CA 129.402 3.081 . . . . 0.0 112.009 -176.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.2 148.58 92.27 Favored 'Cis proline' 0 C--N 1.365 1.432 0 CA-C-N 123.916 2.434 . . . . 0.0 113.14 -3.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.672 ' HA ' HG23 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -171.46 167.15 6.81 Favored 'General case' 0 C--N 1.368 1.383 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -173.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.541 HG12 HG21 ' A' ' 28' ' ' VAL . 12.3 p -138.87 135.23 42.83 Favored 'Isoleucine or valine' 0 C--N 1.395 2.574 0 N-CA-C 117.523 2.416 . . . . 0.0 117.523 -176.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.42 HG22 ' CH2' ' A' ' 71' ' ' TRP . 18.1 m -113.05 134.76 54.68 Favored 'Isoleucine or valine' 0 C--N 1.366 1.309 0 O-C-N 120.198 -1.564 . . . . 0.0 108.674 168.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.9 mm -88.05 135.02 26.49 Favored 'Isoleucine or valine' 0 C--N 1.366 1.31 0 C-N-CA 127.262 2.225 . . . . 0.0 107.246 175.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -165.59 -142.33 3.39 Favored Glycine 0 C--N 1.347 1.192 0 O-C-N 120.236 -1.54 . . . . 0.0 112.389 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -145.33 144.22 30.59 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 125.172 1.389 . . . . 0.0 110.739 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? . . . . . 0 C--N 1.362 1.133 0 C-N-CA 127.453 2.301 . . . . 0.0 108.024 176.687 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.0 m120 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 122.877 1.322 . . . . 0.0 108.503 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.729 HG21 HD23 ' A' ' 10' ' ' LEU . 4.4 mp -122.06 127.02 75.19 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 N-CA-C 100.741 -3.8 . . . . 0.0 100.741 174.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.0 t -129.96 131.6 46.0 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.2 ttt -138.58 141.52 39.2 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 127.033 2.133 . . . . 0.0 107.984 -173.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.35 163.16 28.47 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-O 122.701 1.239 . . . . 0.0 109.352 177.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -135.55 141.86 45.28 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 126.447 1.899 . . . . 0.0 106.523 173.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -113.3 119.06 36.38 Favored 'General case' 0 C--N 1.363 1.184 0 N-CA-C 101.092 -3.67 . . . . 0.0 101.092 173.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.0 t -123.37 129.35 74.83 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.24 0 N-CA-C 104.535 -2.395 . . . . 0.0 104.535 -169.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.42 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -124.41 121.08 33.93 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 176.784 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.67 140.21 14.79 Favored Glycine 0 C--N 1.362 2.0 0 C-N-CA 125.109 1.338 . . . . 0.0 113.286 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -126.28 179.16 16.41 Favored Glycine 0 C--N 1.355 1.636 0 C-N-CA 126.398 1.951 . . . . 0.0 108.496 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.294 7.5 m 87.12 -81.51 0.01 OUTLIER 'General case' 0 C--N 1.359 0.981 0 C-N-CA 129.181 2.992 . . . . 0.0 110.424 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.0 p -144.12 172.76 12.45 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -59.23 -34.8 72.64 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 129.374 3.07 . . . . 0.0 116.32 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.7 -36.23 67.81 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 127.866 2.466 . . . . 0.0 113.545 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -71.54 -33.75 69.41 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.625 1.97 . . . . 0.0 113.366 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.04 -40.59 78.49 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 128.659 2.783 . . . . 0.0 112.898 169.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -66.31 -42.64 87.99 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 126.873 2.069 . . . . 0.0 111.992 175.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -58.72 -48.19 82.01 Favored 'General case' 0 C--N 1.377 1.784 0 C-N-CA 128.862 2.865 . . . . 0.0 112.956 172.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.284 7.1 pt -58.85 -40.7 80.74 Favored 'Isoleucine or valine' 0 C--N 1.378 1.829 0 CA-C-N 121.858 2.117 . . . . 0.0 113.496 172.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . 0.269 49.7 p -64.56 -46.73 81.52 Favored 'General case' 0 C--N 1.378 1.841 0 O-C-N 120.395 -1.441 . . . . 0.0 114.722 171.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.8 p -68.31 -39.13 82.12 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 126.147 1.779 . . . . 0.0 115.125 176.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 65.7 mmt-85 -71.41 -34.17 70.1 Favored 'General case' 0 C--N 1.378 1.822 0 C-N-CA 125.417 1.487 . . . . 0.0 112.84 173.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.415 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 46.8 t -67.51 -49.46 70.79 Favored 'Isoleucine or valine' 0 C--N 1.38 1.901 0 O-C-N 120.471 -1.393 . . . . 0.0 112.523 173.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.84 -40.33 97.11 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 119.598 -1.938 . . . . 0.0 113.187 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -62.25 -37.85 87.02 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 126.862 2.065 . . . . 0.0 112.679 170.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.517 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -62.3 -50.02 73.33 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 125.817 1.647 . . . . 0.0 112.131 171.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 86' ' ' VAL . 45.8 mt -49.45 -47.36 48.33 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 126.914 2.086 . . . . 0.0 115.401 177.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.466 0.2 OUTLIER -97.96 9.3 43.11 Favored 'General case' 0 C--N 1.375 1.678 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 167.511 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.517 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 0.1 OUTLIER -71.3 -54.83 9.49 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 118.109 -2.869 . . . . 0.0 108.782 175.02 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.419 ' HG2' ' HA ' ' A' ' 17' ' ' ASN 0.259 12.5 ptpt -111.71 146.82 35.49 Favored Pre-proline 0 C--N 1.369 1.422 0 C-N-CA 117.759 -1.576 . . . . 0.0 112.343 -178.246 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.34 125.68 10.97 Favored 'Trans proline' 0 C--N 1.369 1.627 0 C-N-CA 124.17 3.246 . . . . 0.0 111.318 -176.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.36 107.77 4.48 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 124.996 1.318 . . . . 0.0 112.109 -178.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 52.4 ttm -143.92 142.06 30.57 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 125.247 1.419 . . . . 0.0 108.02 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.422 ' CD1' ' HB1' ' A' ' 9' ' ' ALA . 46.4 t80 -136.97 111.91 8.91 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 104.38 -2.452 . . . . 0.0 104.38 176.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 59.31 28.58 17.95 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 129.775 3.23 . . . . 0.0 116.076 171.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.07 -0.71 64.41 Favored Glycine 0 C--N 1.354 1.534 0 C-N-CA 126.828 2.156 . . . . 0.0 113.009 -172.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -100.96 125.15 47.54 Favored 'General case' 0 C--N 1.364 1.198 0 CA-C-N 120.483 2.141 . . . . 0.0 110.302 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.2 p -97.82 144.09 27.77 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 128.328 2.651 . . . . 0.0 114.313 -175.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.96 140.51 38.28 Favored 'General case' 0 C--N 1.359 1.016 0 N-CA-C 105.198 -2.149 . . . . 0.0 105.198 177.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.2 t -106.62 119.13 55.61 Favored 'Isoleucine or valine' 0 C--N 1.36 1.028 0 C-N-CA 125.888 1.675 . . . . 0.0 109.407 -169.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.26 138.06 35.78 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 116.654 2.094 . . . . 0.0 116.654 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.1 tttp . . . . . 0 N--CA 1.441 -0.924 0 N-CA-C 101.254 -3.61 . . . . 0.0 101.254 166.943 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 . . . . . 0 N--CA 1.469 0.479 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -132.55 168.13 22.84 Favored Glycine 0 C--N 1.359 1.808 0 CA-C-O 122.392 0.995 . . . . 0.0 114.147 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 7.0 tt -126.6 140.18 49.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 N-CA-C 104.032 -2.581 . . . . 0.0 104.032 171.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 11.7 tt -140.54 138.28 35.98 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -112.13 141.02 46.33 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 126.313 1.845 . . . . 0.0 111.164 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.9 p -123.36 142.01 41.57 Favored 'Isoleucine or valine' 0 C--N 1.363 1.155 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -126.55 140.31 52.55 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 125.716 1.606 . . . . 0.0 109.554 -177.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.532 ' CG ' HD21 ' A' ' 10' ' ' LEU . 8.1 m-85 -131.1 141.42 50.15 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 119.578 -1.951 . . . . 0.0 107.009 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.1 p -111.64 145.08 39.85 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 128.458 2.703 . . . . 0.0 109.252 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 16.3 pt . . . . . 0 C--N 1.365 1.27 0 O-C-N 120.478 -1.388 . . . . 0.0 113.906 176.557 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.4 tp . . . . . 0 N--CA 1.465 0.323 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.4 -40.6 81.23 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 126.154 1.782 . . . . 0.0 113.823 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.437 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 59.3 m -58.56 -47.4 84.35 Favored 'General case' 0 C--N 1.381 1.941 0 C-N-CA 125.624 1.57 . . . . 0.0 113.304 176.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.652 5.6 tpt180 -73.37 -36.59 66.12 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 117.615 2.45 . . . . 0.0 117.615 169.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.15 -22.47 4.28 Favored 'General case' 0 CA--C 1.566 1.559 0 O-C-N 117.608 -3.183 . . . . 0.0 115.316 168.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.505 HD23 HG21 ' A' ' 64' ' ' ILE . 7.4 tp -55.58 -38.79 69.85 Favored 'General case' 0 C--N 1.377 1.785 0 C-N-CA 126.771 2.028 . . . . 0.0 113.664 160.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -67.67 -36.9 81.56 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 129.068 2.947 . . . . 0.0 109.84 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -64.57 -35.64 81.65 Favored 'General case' 0 CA--C 1.559 1.305 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 166.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.29 -33.0 67.09 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.709 2.404 . . . . 0.0 113.199 172.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 48.6 m -70.98 -39.73 72.31 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 129.398 3.079 . . . . 0.0 110.03 173.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 t -66.0 -31.57 54.28 Favored 'Isoleucine or valine' 0 C--N 1.379 1.88 0 C-N-CA 125.847 1.659 . . . . 0.0 110.875 168.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.429 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 23.8 tt0 -68.58 -32.78 72.93 Favored 'General case' 0 C--N 1.372 1.583 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 170.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -62.27 -47.29 84.99 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 126.289 1.836 . . . . 0.0 112.515 162.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.9 mt -62.94 -32.59 73.94 Favored 'General case' 0 C--N 1.364 1.207 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 175.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.429 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 12.3 pt-20 -88.35 -23.18 23.47 Favored 'General case' 0 C--N 1.367 1.356 0 CA-C-O 118.484 -0.77 . . . . 0.0 112.512 172.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 t -87.28 -24.87 24.21 Favored 'General case' 0 C--N 1.385 2.112 0 CA-C-N 121.153 1.797 . . . . 0.0 112.685 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.407 ' HB2' ' CD2' ' A' ' 92' ' ' TYR . 31.0 t80 -80.91 94.88 6.58 Favored 'General case' 0 C--N 1.368 1.411 0 O-C-N 120.339 -1.476 . . . . 0.0 111.078 177.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.437 4.7 pt20 -40.63 -40.01 1.9 Allowed Pre-proline 0 C--N 1.363 1.154 0 N-CA-C 121.241 3.793 . . . . 0.0 121.241 -174.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -64.57 -20.55 65.72 Favored 'Trans proline' 0 CA--C 1.552 1.4 0 CA-C-N 126.609 3.396 . . . . 0.0 115.649 169.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.9 mt -77.19 -26.99 53.45 Favored 'General case' 0 C--N 1.373 1.62 0 CA-C-N 121.68 2.036 . . . . 0.0 112.995 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 82.4 mtp -62.71 -29.38 70.62 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 128.678 2.791 . . . . 0.0 113.942 176.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -94.9 -8.94 35.72 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 129.2 3.0 . . . . 0.0 111.588 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -99.75 -56.51 2.37 Favored 'General case' 0 C--N 1.36 1.065 0 C-N-CA 126.591 1.956 . . . . 0.0 113.01 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.534 HG23 ' HA ' ' A' ' 43' ' ' TYR . 2.5 p -121.12 144.38 30.34 Favored 'Isoleucine or valine' 0 C--N 1.359 1.01 0 O-C-N 119.192 -2.192 . . . . 0.0 109.304 -173.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.303 13.2 t-20 -102.21 -21.47 14.36 Favored 'General case' 0 C--N 1.35 0.607 1 C-N-CA 131.784 4.034 . . . . 0.0 114.202 -177.862 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.501 ' H ' HG22 ' A' ' 28' ' ' VAL . 6.2 mm-40 -136.02 39.38 2.75 Favored 'General case' 0 N--CA 1.432 -1.338 1 CA-C-N 108.341 -4.027 . . . . 0.0 110.63 -148.001 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.1 p -91.62 108.6 20.18 Favored 'Isoleucine or valine' 0 C--N 1.368 1.396 0 CA-C-O 123.248 1.499 . . . . 0.0 109.514 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 t -146.69 170.14 17.57 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 125.094 1.357 . . . . 0.0 112.423 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -91.36 96.86 10.75 Favored 'General case' 0 C--N 1.363 1.168 0 O-C-N 119.792 -1.817 . . . . 0.0 112.477 177.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.659 85.4 p 88.19 -70.01 0.0 OUTLIER Pre-proline 0 C--N 1.36 1.06 0 N-CA-C 119.087 2.995 . . . . 0.0 119.087 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -68.59 161.45 45.11 Favored 'Trans proline' 0 C--N 1.374 1.903 1 CA-C-N 128.937 4.227 . . . . 0.0 116.129 -177.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.12 -3.43 35.35 Favored Glycine 0 C--N 1.358 1.756 0 O-C-N 121.295 -0.878 . . . . 0.0 112.13 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.67 -30.43 5.49 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 129.844 3.258 . . . . 0.0 117.92 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -105.8 16.38 25.32 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 129.573 3.149 . . . . 0.0 112.721 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.64 163.12 25.39 Favored Pre-proline 0 C--N 1.362 1.12 0 O-C-N 120.134 -1.604 . . . . 0.0 109.607 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -64.79 135.42 44.72 Favored 'Trans proline' 0 C--N 1.361 1.22 0 C-N-CA 124.701 3.601 . . . . 0.0 116.429 -174.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -71.28 139.33 84.48 Favored Pre-proline 0 C--N 1.357 0.933 1 C-N-CA 135.195 5.398 . . . . 0.0 112.252 -175.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -83.75 148.93 60.01 Favored 'Cis proline' 0 C--N 1.366 1.46 0 CA-C-N 124.917 2.792 . . . . 0.0 113.548 1.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.534 ' HA ' HG23 ' A' ' 28' ' ' VAL 0.272 14.1 p90 -171.57 168.28 6.4 Favored 'General case' 0 CA--C 1.57 1.749 0 C-N-CA 125.081 1.353 . . . . 0.0 113.675 -176.77 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.0 t -135.36 131.55 51.72 Favored 'Isoleucine or valine' 0 C--N 1.397 2.661 0 CA-C-O 123.798 1.761 . . . . 0.0 114.714 -172.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.4 m -116.54 132.48 66.05 Favored 'Isoleucine or valine' 0 C--N 1.359 0.999 0 O-C-N 119.797 -1.814 . . . . 0.0 108.066 169.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.5 mt -92.92 134.09 31.97 Favored 'Isoleucine or valine' 0 C--N 1.364 1.2 0 C-N-CA 126.896 2.079 . . . . 0.0 108.205 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.24 -139.05 2.86 Favored Glycine 0 C--N 1.354 1.563 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -142.76 142.86 32.0 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 125.938 1.695 . . . . 0.0 110.646 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 C--N 1.364 1.223 0 N-CA-C 102.973 -2.973 . . . . 0.0 102.973 171.301 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 p30 . . . . . 0 N--CA 1.466 0.337 0 N-CA-C 102.073 -3.306 . . . . 0.0 102.073 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.505 HG21 HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -137.37 122.12 24.2 Favored 'Isoleucine or valine' 0 C--N 1.359 1.021 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 -174.259 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.6 p -122.83 117.35 25.42 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 42.7 mtp -133.53 156.78 47.18 Favored 'General case' 0 C--N 1.365 1.273 0 CA-C-O 122.471 1.129 . . . . 0.0 112.322 -172.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -145.69 148.45 33.05 Favored 'General case' 0 C--N 1.36 1.055 0 CA-C-O 121.976 0.893 . . . . 0.0 109.709 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -115.74 135.7 53.78 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.696 -1.964 . . . . 0.0 105.696 171.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -113.42 119.39 37.45 Favored 'General case' 0 C--N 1.365 1.259 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 170.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.1 t -123.44 131.34 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.508 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -169.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -124.1 121.14 34.38 Favored 'General case' 0 C--N 1.363 1.192 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 172.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.96 -102.32 1.95 Allowed Glycine 0 C--N 1.367 2.251 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.64 75.93 1.23 Allowed Glycine 0 C--N 1.362 1.986 0 N-CA-C 116.032 1.173 . . . . 0.0 116.032 172.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 100.0 m -161.64 -74.08 0.06 Allowed 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 105.423 -2.065 . . . . 0.0 105.423 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 m -100.9 153.63 19.34 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 106.206 -1.776 . . . . 0.0 106.206 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -66.53 -45.77 78.35 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 126.258 1.823 . . . . 0.0 113.772 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.24 -33.34 58.21 Favored 'General case' 0 C--N 1.365 1.249 1 C-N-CA 133.758 4.823 . . . . 0.0 114.171 175.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -56.62 -32.61 65.47 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 130.454 3.501 . . . . 0.0 113.915 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.69 -38.81 92.51 Favored 'General case' 0 C--N 1.37 1.494 0 C-N-CA 126.123 1.769 . . . . 0.0 113.882 173.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -74.55 -36.11 63.11 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 126.48 1.912 . . . . 0.0 111.097 171.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -66.9 -47.66 71.11 Favored 'General case' 0 C--N 1.369 1.453 0 N-CA-C 114.538 1.311 . . . . 0.0 114.538 172.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.263 1.8 pt -66.85 -40.93 86.95 Favored 'Isoleucine or valine' 0 C--N 1.372 1.572 0 C-N-CA 125.539 1.535 . . . . 0.0 114.877 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.74 -36.84 78.89 Favored 'General case' 0 C--N 1.379 1.859 0 C-N-CA 124.767 1.227 . . . . 0.0 112.19 174.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.5 m -68.2 -43.82 77.23 Favored 'General case' 0 C--N 1.378 1.843 0 C-N-CA 126.431 1.892 . . . . 0.0 112.77 173.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -59.56 -46.42 88.96 Favored 'General case' 0 C--N 1.373 1.615 0 C-N-CA 128.203 2.601 . . . . 0.0 113.568 171.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.37 0.4 OUTLIER -65.47 -48.86 81.38 Favored 'Isoleucine or valine' 0 C--N 1.378 1.821 0 C-N-CA 125.137 1.375 . . . . 0.0 114.176 176.876 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.429 ' HA ' ' HB2' ' A' ' 90' ' ' LEU 0.399 0.0 OUTLIER -71.93 -32.26 67.16 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-N 121.979 2.172 . . . . 0.0 114.664 174.499 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -63.95 -40.54 96.65 Favored 'General case' 0 C--N 1.385 2.147 0 C-N-CA 125.913 1.685 . . . . 0.0 111.899 174.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.486 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -61.56 -53.72 52.59 Favored 'General case' 0 C--N 1.375 1.693 0 C-N-CA 126.223 1.809 . . . . 0.0 111.593 168.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.429 ' HB2' ' HA ' ' A' ' 87' ' ' LEU . 5.4 mp -49.43 -26.04 3.0 Favored 'General case' 0 C--N 1.368 1.378 0 N-CA-C 118.163 2.653 . . . . 0.0 118.163 177.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.616 1.3 m -123.17 10.34 9.34 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 165.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.486 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 0.1 OUTLIER -67.59 -58.11 5.28 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 128.421 2.688 . . . . 0.0 108.296 173.722 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.379 10.0 ptpt -108.48 134.22 20.32 Favored Pre-proline 0 C--N 1.371 1.52 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 176.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.92 137.0 28.61 Favored 'Trans proline' 0 C--N 1.366 1.452 0 C-N-CA 124.651 3.567 . . . . 0.0 112.408 -172.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.47 107.23 3.74 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 124.827 1.251 . . . . 0.0 113.83 -175.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 29.3 ttp -144.65 150.78 37.96 Favored 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 124.936 1.295 . . . . 0.0 109.007 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -142.5 107.35 4.89 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 105.97 -1.863 . . . . 0.0 105.97 170.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . 0.393 15.9 pt-20 60.41 -67.68 0.04 OUTLIER 'General case' 0 C--N 1.347 0.482 1 C-N-CA 134.604 5.162 . . . . 0.0 117.418 173.672 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.32 22.39 2.4 Favored Glycine 0 CA--C 1.493 -1.331 0 N-CA-C 107.302 -2.319 . . . . 0.0 107.302 176.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -122.57 125.27 45.36 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 123.59 0.756 . . . . 0.0 109.954 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.4 m -123.37 120.81 34.13 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -119.23 138.59 52.88 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 128.878 2.871 . . . . 0.0 106.905 -178.166 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.2 t -106.14 130.67 57.39 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 C-N-CA 128.071 2.548 . . . . 0.0 108.704 -171.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.19 138.23 35.84 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 -176.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.8 tttp . . . . . 0 N--CA 1.443 -0.792 0 C-N-CA 127.632 2.373 . . . . 0.0 107.827 176.672 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 28.4 t60 . . . . . 0 N--CA 1.447 -0.61 0 CA-C-O 121.637 0.732 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.38 148.13 18.82 Favored Glycine 0 C--N 1.357 1.742 0 C-N-CA 124.954 1.264 . . . . 0.0 109.966 173.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 17.0 tt -127.0 125.17 66.05 Favored 'Isoleucine or valine' 0 C--N 1.358 0.964 0 N-CA-C 105.272 -2.121 . . . . 0.0 105.272 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.0 mp -119.36 116.71 51.66 Favored 'Isoleucine or valine' 0 C--N 1.363 1.155 0 C-N-CA 125.542 1.537 . . . . 0.0 107.218 -177.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.54 128.18 54.71 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 124.966 1.306 . . . . 0.0 111.36 -177.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.35 136.32 51.2 Favored 'Isoleucine or valine' 0 C--N 1.359 1.01 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.86 139.59 50.06 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 126.736 2.014 . . . . 0.0 105.773 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -132.37 150.82 52.08 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 -175.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 86.8 m -137.73 143.98 41.47 Favored 'General case' 0 C--N 1.343 0.311 0 O-C-N 119.985 -1.697 . . . . 0.0 110.694 -174.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.0 tt . . . . . 0 C--N 1.365 1.247 0 C-N-CA 126.151 1.78 . . . . 0.0 107.699 176.316 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 CA--C 1.54 0.576 0 CA-C-O 122.63 1.205 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.38 -36.11 82.63 Favored 'General case' 0 C--N 1.37 1.478 0 C-N-CA 126.417 1.887 . . . . 0.0 114.165 174.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.4 m -59.14 -47.44 85.28 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 127.01 2.124 . . . . 0.0 113.897 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.711 4.2 tpt180 -73.27 -37.52 66.25 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 128.802 2.841 . . . . 0.0 116.363 172.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.53 -23.06 48.23 Favored 'General case' 0 C--N 1.369 1.449 0 O-C-N 117.702 -3.124 . . . . 0.0 114.314 166.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.664 HD23 HG12 ' A' ' 64' ' ' ILE 0.361 0.1 OUTLIER -64.72 -29.59 70.58 Favored 'General case' 0 C--N 1.372 1.575 0 O-C-N 120.022 -1.673 . . . . 0.0 114.513 161.696 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.367 8.5 pt20 -64.37 -37.9 89.15 Favored 'General case' 0 C--N 1.387 2.221 0 CA-C-N 122.961 2.619 . . . . 0.0 110.398 169.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.542 0.0 OUTLIER -65.27 -30.74 71.64 Favored 'General case' 0 C--N 1.384 2.098 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 167.458 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.42 -32.63 73.64 Favored 'General case' 0 C--N 1.367 1.345 0 C-N-CA 125.652 1.581 . . . . 0.0 115.172 166.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.251 18.1 p -69.37 -45.85 68.36 Favored 'General case' 0 C--N 1.382 1.979 0 C-N-CA 124.673 1.189 . . . . 0.0 110.39 172.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.589 35.8 m -62.64 -30.21 48.74 Favored 'Isoleucine or valine' 0 C--N 1.38 1.902 0 O-C-N 120.29 -1.506 . . . . 0.0 113.678 173.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -70.06 -39.42 75.69 Favored 'General case' 0 C--N 1.378 1.836 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 166.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.439 ' HB3' ' HG2' ' A' ' 93' ' ' LYS 0.498 14.9 p30 -70.17 -33.76 72.14 Favored 'General case' 0 C--N 1.363 1.179 0 O-C-N 118.923 -2.36 . . . . 0.0 114.071 171.032 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.33 -40.79 94.15 Favored 'General case' 0 C--N 1.373 1.625 0 C-N-CA 126.714 2.006 . . . . 0.0 112.799 169.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.52 -23.34 29.82 Favored 'General case' 0 C--N 1.377 1.783 0 O-C-N 121.197 -0.939 . . . . 0.0 113.382 177.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.434 ' HB3' ' HE2' ' A' ' 92' ' ' TYR . 4.6 t -80.36 -29.35 37.93 Favored 'General case' 0 C--N 1.372 1.544 0 O-C-N 119.576 -1.953 . . . . 0.0 110.123 177.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -75.53 104.32 6.03 Favored 'General case' 0 C--N 1.368 1.4 0 CA-C-O 123.061 1.41 . . . . 0.0 114.734 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -39.64 -55.56 3.42 Favored Pre-proline 0 C--N 1.363 1.182 1 C-N-CA 132.031 4.132 . . . . 0.0 118.691 -171.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -65.34 -19.58 61.77 Favored 'Trans proline' 0 C--N 1.361 1.205 0 C-N-CA 124.739 3.626 . . . . 0.0 115.36 173.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.1 mt -75.18 -26.97 59.45 Favored 'General case' 0 C--N 1.379 1.85 0 CA-C-N 123.31 2.777 . . . . 0.0 113.356 175.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 41.4 mtp -63.24 -29.25 70.62 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 128.459 2.704 . . . . 0.0 114.736 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -94.42 -13.91 25.77 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 128.265 2.626 . . . . 0.0 112.29 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 45.0 tpp -102.16 -42.19 6.14 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.252 1.821 . . . . 0.0 115.181 -176.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.645 HG23 ' HA ' ' A' ' 43' ' ' TYR . 2.2 p -120.83 144.81 28.56 Favored 'Isoleucine or valine' 0 C--N 1.361 1.075 0 CA-C-O 124.461 2.077 . . . . 0.0 107.458 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -101.35 -27.74 13.0 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 129.646 3.178 . . . . 0.0 112.761 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.55 86.5 mm-40 -119.11 39.77 3.47 Favored 'General case' 0 N--CA 1.44 -0.944 1 C-N-CA 133.796 4.838 . . . . 0.0 113.553 -161.025 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.8 p -87.64 108.59 18.52 Favored 'Isoleucine or valine' 0 C--N 1.37 1.463 0 CA-C-O 124.789 2.233 . . . . 0.0 107.013 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.454 HG23 HG12 ' A' ' 45' ' ' VAL . 3.7 t -142.12 157.32 45.03 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 112.312 -2.222 . . . . 0.0 109.705 -165.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -87.46 17.42 4.53 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 116.981 2.215 . . . . 0.0 116.981 -173.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.401 3.5 t 158.22 -67.9 0.0 OUTLIER Pre-proline 0 C--N 1.368 1.398 0 C-N-CA 129.463 3.105 . . . . 0.0 112.492 174.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.406 ' O ' HG21 ' A' ' 32' ' ' THR . 83.7 Cg_endo -73.66 136.88 24.1 Favored 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 123.757 2.972 . . . . 0.0 114.896 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.7 55.02 0.15 Allowed Glycine 0 C--N 1.366 2.209 0 N-CA-C 104.866 -3.294 . . . . 0.0 104.866 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.716 ' H ' ' HD2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -84.77 -9.28 58.34 Favored 'General case' 0 C--O 1.225 -0.195 0 C-N-CA 130.152 3.381 . . . . 0.0 112.44 -178.689 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -99.81 15.36 27.2 Favored 'General case' 0 CA--C 1.542 0.643 1 C-N-CA 131.952 4.101 . . . . 0.0 109.85 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 1.4 p30 -45.34 96.82 0.12 Allowed Pre-proline 0 CA--C 1.548 0.901 2 N-CA-C 125.477 5.362 . . . . 0.0 125.477 178.443 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -83.15 116.77 2.44 Favored 'Trans proline' 0 CA--C 1.557 1.669 0 CA-C-N 125.245 2.909 . . . . 0.0 107.245 159.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -79.99 149.66 70.51 Favored Pre-proline 0 CA--C 1.563 1.452 0 CA-C-N 120.428 1.467 . . . . 0.0 114.793 -171.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -71.54 153.03 96.73 Favored 'Cis proline' 0 C--N 1.363 1.312 0 CA-C-N 122.499 1.928 . . . . 0.0 114.035 3.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.645 ' HA ' HG23 ' A' ' 28' ' ' VAL 0.279 1.5 p90 -154.63 167.1 31.28 Favored 'General case' 0 C--O 1.251 1.136 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 179.272 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.7 t -137.78 125.97 31.69 Favored 'Isoleucine or valine' 0 C--N 1.402 2.87 0 CA-C-O 123.044 1.402 . . . . 0.0 114.737 -174.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.454 HG12 HG23 ' A' ' 32' ' ' THR . 16.2 m -117.68 143.81 27.27 Favored 'Isoleucine or valine' 0 C--N 1.364 1.217 0 O-C-N 120.458 -1.401 . . . . 0.0 110.511 170.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.0 mm -92.19 140.13 16.72 Favored 'Isoleucine or valine' 0 C--N 1.363 1.153 0 C-N-CA 126.529 1.932 . . . . 0.0 107.51 172.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.61 -150.82 7.97 Favored Glycine 0 C--N 1.352 1.459 0 O-C-N 120.875 -1.14 . . . . 0.0 111.626 -175.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -146.05 147.72 31.92 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 104.342 -2.466 . . . . 0.0 104.342 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 . . . . . 0 C--N 1.36 1.065 0 C-N-CA 124.293 1.037 . . . . 0.0 109.002 174.03 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.2 m120 . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 123.343 1.544 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.664 HG12 HD23 ' A' ' 10' ' ' LEU . 3.5 mp -139.85 124.03 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.821 0 N-CA-C 102.324 -3.213 . . . . 0.0 102.324 -177.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.5 m -127.29 123.59 36.77 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 103.144 -2.91 . . . . 0.0 103.144 171.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 33.3 ttm -138.43 155.63 48.3 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 125.841 1.657 . . . . 0.0 108.987 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -133.27 156.58 47.31 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 172.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -124.2 140.01 53.38 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.474 1.91 . . . . 0.0 106.561 175.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.42 ' CD2' ' N ' ' A' ' 69' ' ' HIS . 9.7 m-70 -119.01 118.33 31.19 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 103.374 -2.824 . . . . 0.0 103.374 174.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.7 m -121.29 121.24 64.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 N-CA-C 105.098 -2.186 . . . . 0.0 105.098 -174.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.441 ' CH2' HG22 ' A' ' 45' ' ' VAL . 4.5 m-90 -116.09 124.15 49.67 Favored 'General case' 0 C--N 1.366 1.325 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 -178.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -81.81 -85.89 0.73 Allowed Glycine 0 C--N 1.364 2.139 0 C-N-CA 124.117 0.865 . . . . 0.0 114.285 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 143.04 -45.3 0.91 Allowed Glycine 0 C--N 1.354 1.539 0 O-C-N 120.732 -1.451 . . . . 0.0 112.874 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.5 p -99.14 -98.21 0.23 Allowed 'General case' 0 C--N 1.352 0.687 0 C-N-CA 125.457 1.503 . . . . 0.0 114.589 -173.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 m -113.52 158.78 20.3 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 127.209 2.203 . . . . 0.0 108.476 -174.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -52.5 -35.5 53.08 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 129.057 2.943 . . . . 0.0 116.904 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.62 -35.56 72.65 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 127.753 2.421 . . . . 0.0 114.378 173.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -71.34 -36.8 71.67 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 126.152 1.781 . . . . 0.0 112.435 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.24 -39.19 78.64 Favored 'General case' 0 C--N 1.371 1.535 0 C-N-CA 128.606 2.763 . . . . 0.0 114.481 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -70.25 -40.71 74.26 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 126.789 2.035 . . . . 0.0 110.673 172.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.53 -49.16 78.86 Favored 'General case' 0 C--N 1.384 2.072 0 C-N-CA 128.555 2.742 . . . . 0.0 113.275 173.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.301 9.4 pt -59.95 -38.14 75.25 Favored 'Isoleucine or valine' 0 C--N 1.374 1.654 0 O-C-N 120.384 -1.447 . . . . 0.0 113.87 169.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.9 p -61.21 -42.39 98.52 Favored 'General case' 0 C--N 1.38 1.893 0 CA-C-N 120.259 1.39 . . . . 0.0 113.83 170.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.0 t -62.67 -49.38 75.34 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 129.596 3.158 . . . . 0.0 112.141 174.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -69.99 -35.96 74.81 Favored 'General case' 0 C--N 1.372 1.55 0 C-N-CA 125.2 1.4 . . . . 0.0 114.652 174.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.302 0.3 OUTLIER -69.34 -42.2 81.15 Favored 'Isoleucine or valine' 0 C--N 1.379 1.859 0 C-N-CA 126.463 1.905 . . . . 0.0 113.528 176.519 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.4 mp -71.83 -42.75 66.62 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 127.493 2.317 . . . . 0.0 112.276 173.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -62.46 -34.13 76.2 Favored 'General case' 0 C--N 1.375 1.687 0 C-N-CA 125.305 1.442 . . . . 0.0 112.645 173.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.43 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -66.37 -48.94 68.57 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 126.579 1.952 . . . . 0.0 112.03 170.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 tp -45.53 -45.57 13.48 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 129.146 2.978 . . . . 0.0 116.457 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.376 0.2 OUTLIER -106.96 9.61 30.65 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 125.002 1.321 . . . . 0.0 113.969 172.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.434 ' HE2' ' HB3' ' A' ' 20' ' ' SER . 0.0 OUTLIER -73.33 -52.4 14.03 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 119.418 -2.051 . . . . 0.0 107.089 176.716 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.439 ' HG2' ' HB3' ' A' ' 17' ' ' ASN 0.315 2.1 ptpt -116.4 117.13 38.78 Favored Pre-proline 0 C--N 1.36 1.034 0 N-CA-C 103.419 -2.808 . . . . 0.0 103.419 173.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -68.52 151.13 75.62 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 124.466 3.444 . . . . 0.0 113.473 -167.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.475 ' HB3' HD13 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -68.33 106.46 2.49 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 125.292 1.437 . . . . 0.0 112.502 -175.588 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 19.7 ttm -144.41 143.01 30.71 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 125.865 1.666 . . . . 0.0 110.332 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -151.41 107.86 3.47 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 71.79 -88.21 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.673 0 C-N-CA 131.55 3.94 . . . . 0.0 115.619 168.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -122.0 24.0 7.18 Favored Glycine 0 C--N 1.353 1.481 0 N-CA-C 108.361 -1.896 . . . . 0.0 108.361 172.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -125.48 134.9 51.88 Favored 'General case' 0 C--N 1.361 1.094 0 O-C-N 121.849 -0.795 . . . . 0.0 111.515 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 58.8 m -126.4 125.74 42.68 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 103.133 -2.914 . . . . 0.0 103.133 174.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.552 ' CD1' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -122.43 137.81 54.74 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 -176.491 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.6 t -105.91 132.85 51.92 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.764 0 C-N-CA 125.713 1.605 . . . . 0.0 107.349 -171.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.6 135.54 35.56 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 124.471 1.108 . . . . 0.0 111.133 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--N 1.352 0.702 0 O-C-N 120.788 -1.195 . . . . 0.0 112.927 -171.254 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -103.39 129.72 9.98 Favored Glycine 0 C--N 1.353 1.503 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -107.72 132.59 54.93 Favored 'Isoleucine or valine' 0 C--N 1.359 1.009 0 N-CA-C 105.688 -1.967 . . . . 0.0 105.688 178.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 28.4 mt -123.72 131.14 73.51 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 -177.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -116.69 126.07 52.64 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.64 136.07 59.07 Favored 'Isoleucine or valine' 0 C--N 1.365 1.252 0 CA-C-O 123.484 1.611 . . . . 0.0 112.306 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 91.3 mtm180 -115.98 132.88 56.52 Favored 'General case' 0 C--N 1.364 1.205 0 C-N-CA 126.797 2.039 . . . . 0.0 109.263 -177.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.464 ' HB2' HD13 ' A' ' 64' ' ' ILE . 0.6 OUTLIER -135.68 153.42 51.62 Favored 'General case' 0 C--N 1.359 1.003 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 18.9 m -140.9 139.21 34.32 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 124.24 1.016 . . . . 0.0 109.88 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.368 1.399 0 O-C-N 119.526 -1.984 . . . . 0.0 108.973 176.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 N--CA 1.456 -0.127 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.71 -37.39 82.2 Favored 'General case' 0 C--N 1.37 1.485 0 C-N-CA 126.636 1.974 . . . . 0.0 113.276 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.3 m -61.86 -46.37 89.72 Favored 'General case' 0 C--N 1.372 1.554 0 C-N-CA 126.666 1.986 . . . . 0.0 112.366 175.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.551 49.7 tpt85 -71.62 -37.37 70.91 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.534 1.533 . . . . 0.0 114.361 172.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.47 -23.06 5.5 Favored 'General case' 0 C--N 1.373 1.598 0 O-C-N 119.529 -1.982 . . . . 0.0 115.901 165.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -61.12 -37.08 81.52 Favored 'General case' 0 C--N 1.38 1.906 0 O-C-N 120.032 -1.667 . . . . 0.0 114.884 163.707 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.649 HE21 HG22 ' A' ' 64' ' ' ILE 0.306 60.1 mt-30 -67.04 -36.86 83.02 Favored 'General case' 0 C--N 1.374 1.656 0 C-N-CA 127.08 2.152 . . . . 0.0 109.231 176.776 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -61.86 -33.29 73.91 Favored 'General case' 0 C--N 1.369 1.438 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 162.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.92 -36.22 69.89 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 126.777 2.031 . . . . 0.0 113.851 173.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.486 9.7 t -70.35 -32.72 70.54 Favored 'General case' 0 C--N 1.382 2.002 0 O-C-N 120.731 -1.23 . . . . 0.0 110.839 166.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.5 t -69.48 -32.49 53.17 Favored 'Isoleucine or valine' 0 C--N 1.371 1.527 0 O-C-N 118.344 -2.723 . . . . 0.0 114.002 168.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -70.81 -30.24 66.63 Favored 'General case' 0 C--N 1.365 1.266 0 O-C-N 119.894 -1.754 . . . . 0.0 115.548 172.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -69.82 -42.83 73.13 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 127.293 2.237 . . . . 0.0 112.126 170.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -31.22 71.92 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 126.329 1.852 . . . . 0.0 114.082 172.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.12 -22.6 33.31 Favored 'General case' 0 C--N 1.371 1.52 0 O-C-N 121.041 -1.037 . . . . 0.0 112.207 170.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.3 m -79.34 -31.6 43.08 Favored 'General case' 0 C--N 1.383 2.057 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -82.66 93.56 7.38 Favored 'General case' 0 C--N 1.366 1.323 0 CA-C-O 124.138 1.923 . . . . 0.0 114.45 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.357 2.6 pt20 -49.57 -37.8 26.3 Favored Pre-proline 0 C--N 1.36 1.056 0 C-N-CA 130.883 3.673 . . . . 0.0 119.052 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -60.84 -19.6 62.6 Favored 'Trans proline' 0 CA--C 1.547 1.133 0 C-N-CA 124.804 3.669 . . . . 0.0 115.454 168.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.7 -46.37 89.28 Favored 'General case' 0 C--N 1.387 2.239 0 CA-C-N 121.955 2.161 . . . . 0.0 113.102 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . 0.304 12.8 ptm -56.07 -27.43 53.47 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 128.611 2.764 . . . . 0.0 115.885 174.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -85.59 -22.17 28.15 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 125.999 1.72 . . . . 0.0 112.567 174.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.86 -40.62 8.43 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 126.735 2.014 . . . . 0.0 113.632 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.661 HG23 ' HA ' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -123.27 146.4 28.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 N-CA-C 102.141 -3.281 . . . . 0.0 102.141 176.849 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.303 8.0 t-20 -99.33 -21.88 15.83 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 127.023 2.129 . . . . 0.0 113.434 -175.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.496 6.2 mp0 -136.5 41.54 2.56 Favored 'General case' 0 CA--C 1.483 -1.598 1 C-N-CA 132.554 4.342 . . . . 0.0 112.101 -156.937 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.3 p -85.79 108.97 17.93 Favored 'Isoleucine or valine' 0 C--N 1.37 1.497 0 CA-C-O 125.48 2.562 . . . . 0.0 106.101 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.46 HG21 ' O ' ' A' ' 35' ' ' PRO . 8.8 t -146.75 167.14 24.58 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 111.649 -2.523 . . . . 0.0 110.588 -166.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -105.84 63.0 0.67 Allowed 'General case' 0 C--N 1.353 0.727 0 O-C-N 120.508 -1.37 . . . . 0.0 110.404 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.485 56.9 m 111.99 -73.25 0.0 OUTLIER Pre-proline 0 C--N 1.361 1.069 0 C-N-CA 128.726 2.81 . . . . 0.0 116.007 178.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.46 ' O ' HG21 ' A' ' 32' ' ' THR . 92.6 Cg_endo -72.89 137.51 27.01 Favored 'Trans proline' 0 C--N 1.363 1.306 0 CA-C-N 127.479 3.707 . . . . 0.0 112.382 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 145.4 -19.56 1.88 Allowed Glycine 0 C--N 1.364 2.137 0 CA-C-O 122.612 1.118 . . . . 0.0 110.384 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.257 0.0 OUTLIER -64.09 -14.23 53.19 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 119.559 3.17 . . . . 0.0 119.559 -178.601 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -93.33 16.65 12.8 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 128.505 2.722 . . . . 0.0 112.674 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -119.5 175.5 2.19 Favored Pre-proline 0 C--N 1.354 0.772 0 C-N-CA 127.254 2.222 . . . . 0.0 109.935 -175.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -70.09 154.2 66.67 Favored 'Trans proline' 0 C--N 1.371 1.726 0 C-N-CA 124.976 3.784 . . . . 0.0 115.626 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -93.57 146.13 31.23 Favored Pre-proline 0 C--N 1.352 0.702 0 C-N-CA 130.199 3.4 . . . . 0.0 110.276 -174.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -79.44 150.84 85.14 Favored 'Cis proline' 0 C--N 1.35 0.635 0 N-CA-C 116.733 1.782 . . . . 0.0 116.733 6.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.661 ' HA ' HG23 ' A' ' 28' ' ' VAL . 16.3 p90 -155.1 167.04 31.69 Favored 'General case' 0 C--N 1.37 1.467 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 175.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.8 t -137.41 130.03 42.65 Favored 'Isoleucine or valine' 0 C--N 1.388 2.251 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 -174.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.412 HG22 ' CH2' ' A' ' 71' ' ' TRP . 31.2 m -114.09 134.67 56.22 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 O-C-N 120.16 -1.588 . . . . 0.0 107.048 170.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.9 mt -104.91 128.31 58.75 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -176.28 -134.77 2.01 Favored Glycine 0 C--N 1.351 1.404 0 O-C-N 120.392 -1.442 . . . . 0.0 112.049 -170.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -140.39 148.48 41.31 Favored 'General case' 0 C--N 1.365 1.265 0 CA-C-O 122.356 1.074 . . . . 0.0 111.063 -176.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 . . . . . 0 C--N 1.355 0.847 0 C-N-CA 127.764 2.426 . . . . 0.0 109.146 179.037 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 . . . . . 0 CA--C 1.533 0.304 0 N-CA-C 116.482 2.03 . . . . 0.0 116.482 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.649 HG22 HE21 ' A' ' 11' ' ' GLN . 2.6 mp -121.42 127.27 75.66 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 1 C-N-CA 132.417 4.287 . . . . 0.0 101.494 176.271 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.2 m -127.06 132.05 50.78 Favored 'General case' 0 C--N 1.361 1.093 0 O-C-N 121.004 -1.06 . . . . 0.0 110.441 -177.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.14 157.26 46.26 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 126.102 1.761 . . . . 0.0 108.831 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -140.24 158.42 44.06 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 125.128 1.371 . . . . 0.0 109.302 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -130.94 130.71 43.8 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 125.263 1.425 . . . . 0.0 107.728 176.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -119.33 119.26 33.48 Favored 'General case' 0 C--N 1.36 1.058 0 N-CA-C 105.971 -1.862 . . . . 0.0 105.971 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.2 m -124.78 135.53 63.67 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 -172.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.412 ' CH2' HG22 ' A' ' 45' ' ' VAL . 1.1 m-90 -132.22 123.07 26.27 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 173.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -126.09 47.62 1.01 Allowed Glycine 0 C--N 1.369 2.414 0 C-N-CA 123.322 0.487 . . . . 0.0 112.88 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.75 57.29 0.35 Allowed Glycine 0 C--N 1.355 1.61 0 C-N-CA 128.963 3.173 . . . . 0.0 118.383 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.1 p -121.18 -70.81 0.76 Allowed 'General case' 0 C--N 1.352 0.717 0 C-N-CA 126.109 1.764 . . . . 0.0 109.419 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.7 m -131.59 144.6 51.19 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 103.353 -2.832 . . . . 0.0 103.353 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -52.17 -36.48 51.84 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 128.551 2.741 . . . . 0.0 115.782 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.97 -35.1 72.61 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 131.241 3.817 . . . . 0.0 113.671 174.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.19 -33.61 72.47 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 125.961 1.705 . . . . 0.0 113.901 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.92 -34.77 75.93 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 127.188 2.195 . . . . 0.0 114.246 174.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -77.22 -43.0 35.21 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 128.601 2.76 . . . . 0.0 110.691 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.9 -49.08 66.73 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 128.913 2.885 . . . . 0.0 113.633 174.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.4 pt -65.24 -38.45 82.66 Favored 'Isoleucine or valine' 0 C--N 1.382 1.982 0 CA-C-N 120.279 1.399 . . . . 0.0 113.282 174.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 62.4 m -60.91 -48.19 82.94 Favored 'General case' 0 C--N 1.385 2.149 0 C-N-CA 126.652 1.981 . . . . 0.0 111.518 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.5 m -60.24 -47.46 85.87 Favored 'General case' 0 C--N 1.37 1.471 0 C-N-CA 127.453 2.301 . . . . 0.0 113.976 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -67.08 -37.96 84.89 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 126.372 1.869 . . . . 0.0 115.861 176.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.315 9.6 p -70.35 -43.32 78.44 Favored 'Isoleucine or valine' 0 C--N 1.38 1.927 0 O-C-N 120.165 -1.585 . . . . 0.0 112.881 173.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.72 -40.45 95.1 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 128.498 2.719 . . . . 0.0 112.31 172.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -65.58 -39.51 91.72 Favored 'General case' 0 C--N 1.373 1.627 0 C-N-CA 126.561 1.944 . . . . 0.0 113.076 171.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.55 -53.72 50.53 Favored 'General case' 0 C--N 1.373 1.63 0 CA-C-N 120.587 1.539 . . . . 0.0 112.855 169.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.2 mt -55.17 -26.07 36.52 Favored 'General case' 0 C--N 1.369 1.438 0 N-CA-C 117.721 2.489 . . . . 0.0 117.721 177.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.403 ' O ' HG22 ' A' ' 91' ' ' THR 0.673 1.8 m -114.17 10.25 17.29 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 165.646 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -52.88 11.02 Favored 'General case' 0 C--N 1.36 1.063 0 O-C-N 119.204 -2.185 . . . . 0.0 108.765 170.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -119.5 129.77 25.2 Favored Pre-proline 0 C--N 1.359 1.001 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 175.337 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -79.92 129.66 8.13 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 123.979 3.119 . . . . 0.0 111.702 -176.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.36 107.98 4.58 Favored 'General case' 0 C--N 1.368 1.372 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 -177.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 33.5 ttp -143.14 162.14 36.35 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 102.432 -3.173 . . . . 0.0 102.432 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -141.48 107.8 5.26 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 124.549 1.14 . . . . 0.0 108.896 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 69.03 -76.04 0.06 Allowed 'General case' 0 C--N 1.348 0.525 1 C-N-CA 133.425 4.69 . . . . 0.0 115.229 172.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -146.62 22.65 1.67 Allowed Glycine 0 CA--C 1.492 -1.357 0 N-CA-C 106.388 -2.685 . . . . 0.0 106.388 174.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -121.37 124.55 44.8 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.7 m -115.0 142.45 46.62 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 122.319 1.057 . . . . 0.0 111.209 -173.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.557 ' CE1' ' HB2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -144.35 136.9 26.72 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 104.419 -2.438 . . . . 0.0 104.419 -179.424 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 76.8 t -106.89 135.32 45.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 C-N-CA 127.548 2.339 . . . . 0.0 109.549 -171.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.55 129.5 34.7 Favored 'General case' 0 C--N 1.368 1.381 0 C-N-CA 125.62 1.568 . . . . 0.0 110.682 177.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm . . . . . 0 C--N 1.357 0.928 0 C-N-CA 124.22 1.008 . . . . 0.0 110.255 -176.492 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -124.8 150.26 17.11 Favored Glycine 0 C--N 1.353 1.517 0 C-N-CA 123.603 0.621 . . . . 0.0 112.599 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -118.02 124.54 73.24 Favored 'Isoleucine or valine' 0 C--N 1.365 1.281 0 N-CA-C 101.903 -3.369 . . . . 0.0 101.903 171.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.3 mt -119.67 130.28 74.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -110.86 140.15 45.56 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 124.839 1.256 . . . . 0.0 107.854 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.7 p -140.06 135.27 37.34 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 CA-C-N 122.343 2.338 . . . . 0.0 110.601 175.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.32 139.11 53.98 Favored 'General case' 0 C--N 1.358 0.978 0 O-C-N 120.184 -1.572 . . . . 0.0 110.925 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -122.74 134.5 54.45 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 126.766 2.026 . . . . 0.0 105.706 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 3.6 m -123.55 143.36 50.24 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.941 0.896 . . . . 0.0 110.032 -173.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 C--N 1.37 1.474 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 179.495 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.8 mt . . . . . 0 N--CA 1.471 0.575 0 CA-C-O 122.75 1.262 . . . . 0.0 113.071 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.58 -33.27 66.02 Favored 'General case' 0 C--N 1.362 1.136 1 C-N-CA 133.076 4.551 . . . . 0.0 113.306 172.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.3 p -56.05 -47.26 78.23 Favored 'General case' 0 C--N 1.372 1.582 0 C-N-CA 127.112 2.165 . . . . 0.0 113.675 173.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.473 6.2 tpp180 -71.81 -36.8 70.38 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 131.081 3.753 . . . . 0.0 112.935 175.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.45 -23.14 36.72 Favored 'General case' 0 CA--C 1.561 1.398 0 O-C-N 119.476 -2.015 . . . . 0.0 114.583 165.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 102' ' ' PHE 0.286 0.1 OUTLIER -64.96 -29.25 70.17 Favored 'General case' 0 C--N 1.375 1.675 0 O-C-N 119.307 -2.121 . . . . 0.0 115.174 162.368 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.37 -37.83 83.78 Favored 'General case' 0 C--N 1.377 1.801 0 C-N-CA 127.022 2.129 . . . . 0.0 109.645 174.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -63.4 -34.04 76.86 Favored 'General case' 0 C--N 1.375 1.677 0 C-N-CA 125.603 1.561 . . . . 0.0 112.064 166.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.85 -34.9 78.83 Favored 'General case' 0 C--N 1.367 1.368 0 O-C-N 118.87 -2.394 . . . . 0.0 113.414 169.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.263 19.2 p -65.52 -38.56 90.04 Favored 'General case' 0 C--N 1.381 1.974 0 C-N-CA 124.593 1.157 . . . . 0.0 111.711 169.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -34.89 70.78 Favored 'Isoleucine or valine' 0 C--N 1.37 1.468 0 O-C-N 120.534 -1.354 . . . . 0.0 114.266 172.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.85 -35.58 72.49 Favored 'General case' 0 C--N 1.368 1.384 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 171.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.502 ' HB3' ' HG2' ' A' ' 93' ' ' LYS 0.534 23.1 p30 -70.28 -34.52 72.86 Favored 'General case' 0 C--N 1.365 1.277 0 O-C-N 119.844 -1.785 . . . . 0.0 112.634 170.078 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 mt -65.8 -31.31 72.2 Favored 'General case' 0 C--N 1.37 1.49 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 170.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -85.02 -30.16 24.38 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 125.271 1.428 . . . . 0.0 112.994 172.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.2 m -81.52 -21.28 38.69 Favored 'General case' 0 C--N 1.378 1.838 0 C-N-CA 125.343 1.457 . . . . 0.0 112.566 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -87.77 94.05 9.63 Favored 'General case' 0 C--N 1.36 1.049 0 CA-C-O 122.794 1.283 . . . . 0.0 110.806 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.326 3.4 pt20 -52.73 -38.1 54.34 Favored Pre-proline 0 C--N 1.359 1.018 0 N-CA-C 119.075 2.991 . . . . 0.0 119.075 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -63.66 -19.36 67.24 Favored 'Trans proline' 0 C--N 1.363 1.337 0 C-N-CA 124.969 3.779 . . . . 0.0 114.264 167.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.77 -15.74 59.66 Favored 'General case' 0 C--N 1.371 1.5 0 CA-C-N 121.14 1.791 . . . . 0.0 114.064 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 73.9 mtp -67.08 -28.52 68.25 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 129.07 2.948 . . . . 0.0 113.34 176.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -89.72 -15.58 32.22 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 128.278 2.631 . . . . 0.0 112.142 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -101.19 -41.23 6.81 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 128.037 2.535 . . . . 0.0 114.166 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 p -122.87 146.89 27.45 Favored 'Isoleucine or valine' 0 C--N 1.365 1.25 0 O-C-N 120.308 -1.495 . . . . 0.0 108.167 -177.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -101.5 -39.72 7.39 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-O 124.602 2.144 . . . . 0.0 113.5 177.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.437 ' HG3' ' HB3' ' A' ' 39' ' ' ASP 0.825 68.1 mm-40 -116.24 40.87 2.74 Favored 'General case' 0 CA--C 1.5 -0.979 1 C-N-CA 135.134 5.373 . . . . 0.0 118.257 -166.767 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -84.87 108.95 17.39 Favored 'Isoleucine or valine' 0 C--N 1.369 1.435 0 CA-C-O 124.574 2.131 . . . . 0.0 109.543 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.7 t -146.52 169.57 18.67 Favored 'General case' 0 C--N 1.365 1.272 0 CA-C-O 124.309 2.004 . . . . 0.0 113.82 -173.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -78.54 50.73 0.99 Allowed 'General case' 0 C--N 1.355 0.844 0 N-CA-C 117.72 2.489 . . . . 0.0 117.72 -176.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.653 60.6 p 113.72 -57.78 0.0 OUTLIER Pre-proline 0 N--CA 1.476 0.871 0 CA-C-O 113.505 -3.14 . . . . 0.0 119.32 173.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -73.7 163.93 36.05 Favored 'Trans proline' 0 CA--C 1.555 1.541 1 CA-C-N 128.761 4.165 . . . . 0.0 115.946 176.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.11 15.34 0.6 Allowed Glycine 0 C--N 1.366 2.219 0 N-CA-C 115.916 1.126 . . . . 0.0 115.916 171.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -28.57 46.69 Favored 'General case' 0 C--N 1.364 1.207 0 N-CA-C 118.18 2.659 . . . . 0.0 118.18 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -96.45 9.76 40.33 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 128.485 2.714 . . . . 0.0 112.733 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.437 ' HB3' ' HG3' ' A' ' 30' ' ' GLN . 80.6 m-20 -90.41 165.77 22.11 Favored Pre-proline 0 C--N 1.36 1.037 0 C-N-CA 124.793 1.237 . . . . 0.0 110.854 177.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -69.43 148.75 67.9 Favored 'Trans proline' 0 C--N 1.365 1.439 0 C-N-CA 124.413 3.409 . . . . 0.0 114.577 -177.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -95.54 132.88 26.65 Favored Pre-proline 0 C--N 1.356 0.867 0 C-N-CA 126.782 2.033 . . . . 0.0 108.189 -177.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -82.95 150.36 69.29 Favored 'Cis proline' 0 CA--C 1.552 1.419 0 CA-C-N 122.79 2.032 . . . . 0.0 116.333 2.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -159.65 166.72 30.04 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 124.937 1.295 . . . . 0.0 113.758 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.513 HG22 HG22 ' A' ' 70' ' ' VAL . 72.3 t -137.27 133.79 46.95 Favored 'Isoleucine or valine' 0 C--N 1.393 2.489 0 CA-C-O 123.854 1.788 . . . . 0.0 112.04 -175.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.2 m -122.47 132.33 71.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 119.951 -1.718 . . . . 0.0 109.309 171.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.4 mt -99.16 124.93 52.73 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 C-N-CA 126.652 1.981 . . . . 0.0 105.752 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.59 -126.66 0.83 Allowed Glycine 0 C--N 1.351 1.365 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -145.13 155.64 43.43 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 123.619 0.768 . . . . 0.0 110.259 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.361 1.107 0 C-N-CA 126.568 1.947 . . . . 0.0 110.326 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.5 m120 . . . . . 0 N--CA 1.445 -0.676 0 N-CA-C 103.014 -2.958 . . . . 0.0 103.014 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.74 121.15 62.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 1 N-CA-C 99.935 -4.098 . . . . 0.0 99.935 -177.48 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 p -131.47 117.65 19.1 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 104.229 -2.508 . . . . 0.0 104.229 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.8 tpt -144.48 160.97 40.21 Favored 'General case' 0 C--N 1.36 1.046 0 CA-C-O 121.842 0.83 . . . . 0.0 109.799 -175.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -132.18 152.9 51.05 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 124.581 1.153 . . . . 0.0 109.311 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.311 2.4 p90 -128.79 139.23 52.28 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.91 1.284 . . . . 0.0 107.749 171.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -121.55 127.54 51.06 Favored 'General case' 0 CA--C 1.491 -1.321 0 C-N-CA 128.009 2.524 . . . . 0.0 106.575 -175.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.513 HG22 HG22 ' A' ' 44' ' ' VAL . 55.2 t -121.98 128.49 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 CA-C-N 113.916 -1.493 . . . . 0.0 107.834 -175.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -128.22 138.08 52.3 Favored 'General case' 0 C--N 1.369 1.418 0 C-N-CA 118.27 -1.372 . . . . 0.0 109.252 171.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -150.89 179.12 27.86 Favored Glycine 0 C--N 1.366 2.245 0 CA-C-O 122.324 0.958 . . . . 0.0 111.692 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -153.88 108.43 0.37 Allowed Glycine 0 C--N 1.354 1.549 0 N-CA-C 105.156 -3.178 . . . . 0.0 105.156 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.0 m -166.64 -85.88 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 103.214 -2.884 . . . . 0.0 103.214 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.6 p -144.55 170.12 16.66 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 125.999 1.72 . . . . 0.0 107.746 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -67.07 -35.33 79.59 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 127.786 2.434 . . . . 0.0 114.141 171.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.65 -35.89 73.1 Favored 'General case' 0 C--N 1.371 1.525 0 C-N-CA 127.724 2.41 . . . . 0.0 113.496 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -60.48 -36.91 79.43 Favored 'General case' 0 C--N 1.373 1.612 0 C-N-CA 126.716 2.006 . . . . 0.0 114.215 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.18 -33.58 73.68 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 126.111 1.764 . . . . 0.0 114.374 173.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -77.24 -39.49 48.21 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 127.548 2.339 . . . . 0.0 110.693 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -66.64 -45.21 79.75 Favored 'General case' 0 C--N 1.372 1.565 0 C-N-CA 127.005 2.122 . . . . 0.0 113.97 174.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.267 11.9 pt -66.39 -37.75 80.33 Favored 'Isoleucine or valine' 0 C--N 1.374 1.647 0 C-N-CA 126.176 1.79 . . . . 0.0 111.662 174.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.7 t -65.15 -42.33 93.86 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 126.882 2.073 . . . . 0.0 112.58 172.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.0 t -58.71 -41.39 86.2 Favored 'General case' 0 C--N 1.373 1.614 0 C-N-CA 129.07 2.948 . . . . 0.0 112.296 173.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -75.34 -38.83 59.96 Favored 'General case' 0 C--N 1.369 1.454 0 C-N-CA 126.143 1.777 . . . . 0.0 113.763 171.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.9 t -63.84 -49.5 81.63 Favored 'Isoleucine or valine' 0 C--N 1.381 1.965 0 CA-C-N 122.015 2.189 . . . . 0.0 112.327 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.2 mp -71.8 -32.05 67.21 Favored 'General case' 0 C--N 1.37 1.485 0 O-C-N 119.405 -2.059 . . . . 0.0 111.922 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -61.7 -34.27 75.49 Favored 'General case' 0 C--N 1.387 2.218 0 C-N-CA 124.938 1.295 . . . . 0.0 112.603 169.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.49 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -65.97 -50.39 64.47 Favored 'General case' 0 C--N 1.374 1.643 0 C-N-CA 125.772 1.629 . . . . 0.0 110.837 170.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.252 8.0 mp -50.88 -38.93 52.47 Favored 'General case' 0 C--N 1.377 1.787 0 N-CA-C 116.874 2.176 . . . . 0.0 116.874 178.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.306 0.2 OUTLIER -103.05 9.61 38.47 Favored 'General case' 0 C--N 1.368 1.403 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 169.711 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.49 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -77.84 -48.58 16.13 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 119.046 -2.284 . . . . 0.0 106.336 178.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.502 ' HG2' ' HB3' ' A' ' 17' ' ' ASN 0.377 0.5 OUTLIER -119.4 104.61 45.3 Favored Pre-proline 0 C--N 1.353 0.728 0 N-CA-C 105.032 -2.211 . . . . 0.0 105.032 172.296 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -57.34 154.18 36.45 Favored 'Trans proline' 0 C--N 1.386 2.519 1 C-N-CA 125.831 4.354 . . . . 0.0 117.501 -169.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.4 mt -82.43 106.64 14.47 Favored 'General case' 0 C--N 1.363 1.188 0 CA-C-O 125.598 2.618 . . . . 0.0 116.844 -168.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 25.1 ttt -144.58 149.1 35.23 Favored 'General case' 0 N--CA 1.426 -1.629 0 CA-C-N 111.342 -2.663 . . . . 0.0 107.558 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -134.02 109.92 9.3 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 104.176 -2.527 . . . . 0.0 104.176 170.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 64.42 -71.83 0.07 Allowed 'General case' 0 N--CA 1.442 -0.835 1 C-N-CA 132.936 4.494 . . . . 0.0 118.098 165.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -141.47 19.63 2.61 Favored Glycine 0 CA--C 1.492 -1.371 0 N-CA-C 106.888 -2.485 . . . . 0.0 106.888 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -123.24 124.88 44.0 Favored 'General case' 0 C--N 1.367 1.331 0 CA-C-N 117.718 0.759 . . . . 0.0 109.125 -177.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.0 m -121.64 123.45 41.94 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 -177.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -127.06 136.26 51.93 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 128.548 2.739 . . . . 0.0 105.36 -174.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.7 t -106.4 132.92 52.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 C-N-CA 127.345 2.258 . . . . 0.0 110.22 -171.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.93 138.86 36.12 Favored 'General case' 0 C--N 1.362 1.144 0 N-CA-C 117.055 2.243 . . . . 0.0 117.055 -174.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.6 tttm . . . . . 0 C--N 1.354 0.774 0 C-N-CA 129.113 2.965 . . . . 0.0 108.078 177.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 . . . . . 0 N--CA 1.435 -1.218 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.67 139.67 11.14 Favored Glycine 0 C--N 1.348 1.22 0 N-CA-C 107.244 -2.342 . . . . 0.0 107.244 170.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.07 128.02 75.93 Favored 'Isoleucine or valine' 0 C--N 1.362 1.114 0 N-CA-C 104.326 -2.472 . . . . 0.0 104.326 175.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 51.6 mt -121.39 128.1 75.84 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 125.616 1.566 . . . . 0.0 106.8 -177.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -110.06 139.59 45.02 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 124.182 0.993 . . . . 0.0 109.457 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.92 143.74 18.5 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 CA-C-O 123.6 1.667 . . . . 0.0 110.736 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -124.3 140.52 52.88 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 125.811 1.644 . . . . 0.0 107.415 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.08 148.05 49.73 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 104.552 -2.388 . . . . 0.0 104.552 178.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 81.3 m -135.97 143.15 44.69 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 119.723 -1.861 . . . . 0.0 109.585 -174.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.364 1.236 0 C-N-CA 126.689 1.995 . . . . 0.0 106.757 175.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.3 mt . . . . . 0 N--CA 1.472 0.65 0 N-CA-C 116.882 2.179 . . . . 0.0 116.882 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.76 -32.93 73.22 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 127.024 2.13 . . . . 0.0 113.673 174.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.1 p -61.0 -48.03 83.7 Favored 'General case' 0 C--N 1.375 1.678 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.512 38.4 tpt85 -71.98 -36.23 69.74 Favored 'General case' 0 C--O 1.245 0.85 0 C-N-CA 131.053 3.741 . . . . 0.0 113.726 174.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.417 ' HA ' ' HG3' ' A' ' 12' ' ' LYS . . . -53.43 -27.0 22.26 Favored 'General case' 0 CA--C 1.559 1.311 0 O-C-N 119.943 -1.723 . . . . 0.0 115.171 165.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 102' ' ' PHE 0.273 0.2 OUTLIER -62.77 -29.6 70.83 Favored 'General case' 0 C--N 1.382 1.987 0 O-C-N 119.683 -1.886 . . . . 0.0 115.578 165.122 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.272 49.0 mt-30 -69.79 -37.76 76.44 Favored 'General case' 0 C--N 1.371 1.527 0 C-N-CA 126.183 1.793 . . . . 0.0 110.834 173.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.417 ' HG3' ' HA ' ' A' ' 9' ' ' ALA 0.424 0.0 OUTLIER -67.1 -30.59 70.65 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 165.984 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.33 -33.82 69.98 Favored 'General case' 0 C--N 1.366 1.304 0 O-C-N 119.414 -2.054 . . . . 0.0 113.708 171.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.5 m -70.12 -29.66 66.66 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 129.876 3.27 . . . . 0.0 110.507 171.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.86 -37.9 63.24 Favored 'Isoleucine or valine' 0 C--N 1.365 1.256 0 O-C-N 119.445 -2.034 . . . . 0.0 112.664 168.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -68.57 -29.66 68.25 Favored 'General case' 0 C--N 1.371 1.517 0 O-C-N 120.255 -1.528 . . . . 0.0 114.372 170.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -62.57 -49.81 73.82 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 127.712 2.405 . . . . 0.0 110.645 168.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -31.57 66.18 Favored 'General case' 0 C--N 1.38 1.918 0 C-N-CA 125.847 1.659 . . . . 0.0 112.125 173.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -66.08 -44.08 85.48 Favored 'General case' 0 C--N 1.371 1.524 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 167.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.479 ' HB2' ' CZ ' ' A' ' 92' ' ' TYR 0.388 0.7 OUTLIER -76.78 -16.98 59.31 Favored 'General case' 0 C--N 1.391 2.383 0 CA-C-N 123.439 2.836 . . . . 0.0 114.583 176.506 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.458 ' CD2' ' HB2' ' A' ' 89' ' ' ALA . 2.1 t80 -81.66 92.17 6.54 Favored 'General case' 0 C--N 1.367 1.358 0 CA-C-O 125.007 2.337 . . . . 0.0 116.347 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.337 10.9 pt20 -54.45 -43.4 97.78 Favored Pre-proline 0 C--N 1.36 1.061 0 C-N-CA 130.93 3.692 . . . . 0.0 116.247 175.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -62.73 -19.04 67.23 Favored 'Trans proline' 0 C--N 1.364 1.383 1 C-N-CA 125.328 4.019 . . . . 0.0 114.737 170.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tp -73.35 -29.04 62.39 Favored 'General case' 0 C--N 1.379 1.861 0 CA-C-N 121.852 2.115 . . . . 0.0 114.027 -178.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 58.8 mtt -60.03 -28.95 68.18 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 130.714 3.606 . . . . 0.0 114.118 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -94.07 -18.57 21.68 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 128.106 2.563 . . . . 0.0 112.889 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.8 mmt -102.79 -34.59 8.95 Favored 'General case' 0 C--N 1.361 1.103 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 p -123.25 146.67 28.24 Favored 'Isoleucine or valine' 0 C--N 1.364 1.227 0 O-C-N 120.062 -1.649 . . . . 0.0 107.666 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -101.05 -44.46 5.71 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 123.615 1.674 . . . . 0.0 112.442 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.412 ' HB2' ' HB2' ' A' ' 43' ' ' TYR 0.627 4.2 mp0 -109.02 40.79 1.74 Allowed 'General case' 0 CA--C 1.499 -0.995 1 C-N-CA 134.761 5.224 . . . . 0.0 115.456 -171.843 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.7 p -84.47 108.33 16.52 Favored 'Isoleucine or valine' 0 C--N 1.369 1.439 0 CA-C-N 124.331 3.242 . . . . 0.0 108.142 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.3 t -146.76 169.19 19.58 Favored 'General case' 0 C--N 1.361 1.077 0 CA-C-N 112.662 -2.063 . . . . 0.0 112.089 -168.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -95.87 9.61 39.99 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 -176.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.33 11.6 m -169.07 -70.0 0.0 OUTLIER Pre-proline 0 C--N 1.361 1.088 0 CA-C-O 115.37 -2.252 . . . . 0.0 113.789 175.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -72.94 164.2 36.24 Favored 'Trans proline' 0 C--N 1.362 1.25 0 C-N-CA 124.709 3.606 . . . . 0.0 115.473 -173.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 156.33 -25.73 0.53 Allowed Glycine 0 C--N 1.364 2.125 0 O-C-N 120.698 -1.251 . . . . 0.0 115.807 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.39 -31.39 6.11 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 119.31 3.078 . . . . 0.0 119.31 -174.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -106.28 15.38 26.24 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 127.674 2.39 . . . . 0.0 111.841 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -106.49 168.3 8.33 Favored Pre-proline 0 C--N 1.359 0.983 0 O-C-N 119.731 -1.855 . . . . 0.0 111.575 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -64.21 152.59 80.58 Favored 'Trans proline' 0 C--N 1.375 1.953 1 C-N-CA 125.56 4.173 . . . . 0.0 116.343 177.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -104.26 139.98 20.63 Favored Pre-proline 0 C--N 1.355 0.821 0 C-N-CA 127.261 2.224 . . . . 0.0 107.172 -177.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -80.51 149.0 77.69 Favored 'Cis proline' 0 CA--C 1.546 1.104 0 CA-C-N 123.883 2.422 . . . . 0.0 116.566 3.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.412 ' HB2' ' HB2' ' A' ' 30' ' ' GLN . 30.8 p90 -160.8 167.7 26.23 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 114.754 1.391 . . . . 0.0 114.754 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.461 HG22 HG22 ' A' ' 70' ' ' VAL . 72.6 t -136.64 135.31 48.9 Favored 'Isoleucine or valine' 0 C--N 1.401 2.811 0 CA-C-O 122.981 1.372 . . . . 0.0 114.632 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.416 HG22 ' CH2' ' A' ' 71' ' ' TRP . 25.5 m -113.62 143.02 24.19 Favored 'Isoleucine or valine' 0 C--N 1.364 1.196 0 O-C-N 120.068 -1.645 . . . . 0.0 109.034 165.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 21.8 mm -95.71 127.62 47.6 Favored 'Isoleucine or valine' 0 C--N 1.365 1.244 0 C-N-CA 127.914 2.486 . . . . 0.0 107.952 173.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -165.47 -133.99 1.59 Allowed Glycine 0 C--N 1.358 1.784 0 CA-C-N 118.948 0.795 . . . . 0.0 113.621 -177.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -145.0 152.76 40.65 Favored 'General case' 0 C--N 1.368 1.381 0 C-N-CA 126.054 1.742 . . . . 0.0 109.962 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? . . . . . 0 C--N 1.365 1.245 0 C-N-CA 126.363 1.865 . . . . 0.0 113.109 178.157 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 . . . . . 0 N--CA 1.438 -1.072 0 CA-C-O 123.277 1.513 . . . . 0.0 107.942 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -134.83 132.39 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 C-N-CA 129.997 3.319 . . . . 0.0 103.048 -178.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.4 t -131.43 119.72 22.03 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 100.897 -3.742 . . . . 0.0 100.897 172.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 20.9 ttt -134.67 133.18 39.78 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 126.289 1.836 . . . . 0.0 109.839 -173.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.12 146.51 45.89 Favored 'General case' 0 C--N 1.367 1.344 0 CA-C-O 123.252 1.501 . . . . 0.0 108.884 172.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.449 ' CZ ' HD11 ' A' ' 90' ' ' LEU . 7.8 m-85 -118.04 130.33 56.1 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 102.837 -3.023 . . . . 0.0 102.837 171.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.411 ' CE1' HD11 ' A' ' 124' ' ' ILE . 8.7 m-70 -118.57 119.52 34.74 Favored 'General case' 0 C--N 1.368 1.399 0 N-CA-C 106.09 -1.819 . . . . 0.0 106.09 175.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.461 HG22 HG22 ' A' ' 44' ' ' VAL . 46.9 t -118.79 134.8 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.879 0 CA-C-N 113.563 -1.653 . . . . 0.0 108.425 -169.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.416 ' CH2' HG22 ' A' ' 45' ' ' VAL . 1.7 m-90 -133.09 118.95 19.35 Favored 'General case' 0 C--N 1.366 1.301 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 171.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.79 74.91 0.41 Allowed Glycine 0 C--N 1.364 2.135 0 C-N-CA 126.742 2.115 . . . . 0.0 108.861 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -98.09 72.4 0.62 Allowed Glycine 0 C--N 1.354 1.572 0 C-N-CA 127.313 2.387 . . . . 0.0 111.216 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.4 p -135.84 -88.53 0.32 Allowed 'General case' 0 C--N 1.349 0.563 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.2 m -110.64 141.38 43.94 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 104.607 -2.368 . . . . 0.0 104.607 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -52.29 -39.85 61.03 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 127.984 2.513 . . . . 0.0 115.451 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.76 -35.59 81.08 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 129.347 3.059 . . . . 0.0 114.621 175.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -62.74 -33.75 75.79 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 127.106 2.163 . . . . 0.0 113.72 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.07 93.44 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 128.068 2.547 . . . . 0.0 115.103 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -77.32 -30.86 54.26 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.13 1.372 . . . . 0.0 111.984 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -66.38 -43.2 86.53 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 126.45 1.9 . . . . 0.0 112.67 173.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.7 pt -68.18 -38.31 79.46 Favored 'Isoleucine or valine' 0 C--N 1.375 1.678 0 CA-C-N 119.809 1.186 . . . . 0.0 113.73 173.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 t -63.67 -49.5 72.96 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 127.768 2.427 . . . . 0.0 112.212 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.6 m -64.44 -39.93 94.77 Favored 'General case' 0 C--N 1.37 1.462 0 C-N-CA 127.995 2.518 . . . . 0.0 113.118 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -43.33 86.41 Favored 'General case' 0 C--N 1.377 1.767 0 C-N-CA 126.193 1.797 . . . . 0.0 114.108 173.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.333 3.1 p -67.94 -38.45 80.02 Favored 'Isoleucine or valine' 0 C--N 1.374 1.65 0 CA-C-N 121.541 1.973 . . . . 0.0 113.384 176.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.52 -41.24 89.11 Favored 'General case' 0 CA--C 1.572 1.795 0 C-N-CA 127.743 2.417 . . . . 0.0 113.362 171.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -66.18 -33.43 75.76 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 127.394 2.278 . . . . 0.0 113.183 171.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 21' ' ' TYR . . . -62.75 -51.46 67.03 Favored 'General case' 0 C--N 1.369 1.428 0 C-N-CA 126.913 2.085 . . . . 0.0 112.099 171.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.449 HD11 ' CZ ' ' A' ' 68' ' ' PHE . 1.1 mp -45.46 -37.71 5.47 Favored 'General case' 0 C--N 1.378 1.834 0 C-N-CA 131.276 3.83 . . . . 0.0 113.897 172.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.391 0.2 OUTLIER -107.36 9.56 29.84 Favored 'General case' 0 C--N 1.365 1.246 0 N-CA-C 116.998 2.222 . . . . 0.0 116.998 167.132 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 20' ' ' SER 0.361 2.2 p90 -75.97 -46.96 26.95 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 117.661 -3.149 . . . . 0.0 105.936 177.722 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.288 11.6 ptpt -113.16 140.87 24.78 Favored Pre-proline 0 C--N 1.362 1.147 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 169.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -76.38 153.21 35.22 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.7 2.933 . . . . 0.0 110.52 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.4 mt -74.44 108.45 7.22 Favored 'General case' 0 C--N 1.36 1.046 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 24.7 ttt -144.41 141.78 29.89 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 125.897 1.679 . . . . 0.0 110.756 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -137.55 107.69 6.39 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.273 2.229 . . . . 0.0 105.92 175.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . 0.385 11.7 pt-20 61.5 -65.68 0.07 Allowed 'General case' 0 C--N 1.348 0.541 1 C-N-CA 134.847 5.259 . . . . 0.0 118.279 172.323 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -143.6 16.93 2.23 Favored Glycine 0 CA--C 1.491 -1.425 0 N-CA-C 106.822 -2.511 . . . . 0.0 106.822 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -121.28 124.66 45.15 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.2 m -117.09 128.81 55.51 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 104.629 -2.36 . . . . 0.0 104.629 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -111.62 132.42 54.58 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-O 122.494 1.14 . . . . 0.0 113.089 -171.055 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.7 t -107.22 128.85 61.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 C-N-CA 128.094 2.558 . . . . 0.0 110.849 -172.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.09 123.07 28.09 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 125.684 1.594 . . . . 0.0 113.532 -177.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.1 tptp . . . . . 0 C--N 1.352 0.709 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 -175.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 33.4 t60 . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 120.969 0.414 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -129.31 132.96 7.33 Favored Glycine 0 C--N 1.356 1.679 0 N-CA-C 107.843 -2.103 . . . . 0.0 107.843 172.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.411 HD11 ' CE1' ' A' ' 69' ' ' HIS . 0.4 OUTLIER -121.01 129.62 75.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 178.474 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 88.8 mt -118.94 114.24 44.11 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 N-CA-C 103.741 -2.689 . . . . 0.0 103.741 172.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -119.58 119.93 35.23 Favored 'General case' 0 C--N 1.363 1.183 0 N-CA-C 105.121 -2.178 . . . . 0.0 105.121 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.27 146.8 27.35 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 CA-C-O 122.589 1.185 . . . . 0.0 110.248 -176.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -116.63 139.25 50.73 Favored 'General case' 0 C--N 1.361 1.103 0 C-N-CA 127.054 2.142 . . . . 0.0 107.067 177.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -124.6 140.36 53.01 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 103.332 -2.84 . . . . 0.0 103.332 175.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 9.1 m -124.23 143.2 50.66 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 105.177 -2.157 . . . . 0.0 105.177 -177.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 15.1 pt . . . . . 0 C--N 1.363 1.174 0 O-C-N 119.899 -1.751 . . . . 0.0 111.274 176.479 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.4 mt . . . . . 0 CA--C 1.516 -0.361 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.9 -34.3 67.78 Favored 'General case' 0 C--N 1.364 1.237 0 C-N-CA 129.273 3.029 . . . . 0.0 114.232 174.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.463 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.1 m -61.67 -46.69 88.66 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 127.843 2.457 . . . . 0.0 113.805 176.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.368 51.1 ttm-85 -73.47 -37.52 65.74 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 128.836 2.854 . . . . 0.0 114.541 167.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.07 -23.01 4.66 Favored 'General case' 0 CA--C 1.569 1.695 0 O-C-N 117.735 -3.103 . . . . 0.0 115.022 169.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.586 HD13 ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -55.82 -34.3 65.24 Favored 'General case' 0 C--N 1.374 1.654 0 N-CA-C 117.071 2.249 . . . . 0.0 117.071 161.58 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.586 ' N ' HD13 ' A' ' 10' ' ' LEU 0.423 1.2 pp0? -70.14 -37.57 75.31 Favored 'General case' 0 C--N 1.381 1.97 0 C-N-CA 128.323 2.649 . . . . 0.0 110.013 172.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -66.57 -30.92 71.33 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 166.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.89 -32.5 67.49 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 127.626 2.371 . . . . 0.0 111.897 172.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.6 m -69.78 -45.52 67.82 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 128.917 2.887 . . . . 0.0 110.677 172.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.26 -31.19 52.79 Favored 'Isoleucine or valine' 0 C--N 1.366 1.325 0 C-N-CA 125.898 1.679 . . . . 0.0 113.051 171.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -70.49 -37.14 74.18 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 124.893 1.277 . . . . 0.0 112.763 171.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.565 ' HB3' ' HG2' ' A' ' 93' ' ' LYS 0.353 23.6 p30 -63.87 -35.09 79.49 Favored 'General case' 0 C--N 1.377 1.796 0 CA-C-N 121.395 1.907 . . . . 0.0 114.222 168.174 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.459 HD21 ' CD1' ' A' ' 90' ' ' LEU . 9.2 mt -60.57 -42.76 97.31 Favored 'General case' 0 C--N 1.377 1.799 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 168.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -82.13 -21.88 36.45 Favored 'General case' 0 C--N 1.364 1.227 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 174.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.9 m -81.91 -25.45 34.95 Favored 'General case' 0 C--N 1.376 1.744 0 C-N-CA 125.903 1.681 . . . . 0.0 113.246 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -81.17 96.52 7.24 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 120.582 -1.324 . . . . 0.0 111.043 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.422 4.8 pt20 -40.87 -47.47 7.15 Favored Pre-proline 0 C--N 1.367 1.364 1 N-CA-C 121.964 4.061 . . . . 0.0 121.964 -173.989 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -65.78 -20.0 58.96 Favored 'Trans proline' 0 C--N 1.362 1.271 0 CA-C-N 127.886 3.852 . . . . 0.0 115.085 169.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tt -69.04 -41.84 77.14 Favored 'General case' 0 C--N 1.374 1.663 0 CA-C-N 121.564 1.984 . . . . 0.0 112.241 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 57.3 mmm -59.82 -27.73 66.86 Favored 'General case' 0 C--N 1.362 1.145 1 C-N-CA 132.125 4.17 . . . . 0.0 114.814 171.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -84.54 -39.19 19.1 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 128.01 2.524 . . . . 0.0 112.071 176.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 24.2 mmt -78.46 -41.09 33.67 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 125.89 1.676 . . . . 0.0 113.828 177.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.2 m -124.36 143.27 38.34 Favored 'Isoleucine or valine' 0 C--N 1.369 1.436 0 N-CA-C 101.968 -3.345 . . . . 0.0 101.968 167.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -102.25 -17.3 15.99 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 125.969 2.795 . . . . 0.0 110.748 176.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.397 48.4 mm-40 -98.37 39.36 1.25 Allowed 'General case' 0 N--CA 1.422 -1.861 1 C-N-CA 137.598 6.359 . . . . 0.0 115.198 -167.663 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.94 108.5 18.08 Favored 'Isoleucine or valine' 0 C--N 1.377 1.765 0 N-CA-C 104.745 -2.317 . . . . 0.0 104.745 175.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.7 t -131.55 145.39 51.7 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 113.977 -1.465 . . . . 0.0 113.636 -172.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -94.46 -7.44 41.38 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 124.967 1.307 . . . . 0.0 114.016 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.292 15.5 m -166.89 -74.14 0.0 OUTLIER Pre-proline 0 C--N 1.356 0.866 0 CA-C-O 115.308 -2.282 . . . . 0.0 111.019 177.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -72.92 137.4 26.73 Favored 'Trans proline' 0 C--N 1.367 1.545 0 C-N-CA 124.052 3.168 . . . . 0.0 113.051 -177.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.89 32.2 2.71 Favored Glycine 0 C--N 1.352 1.447 0 O-C-N 120.159 -1.588 . . . . 0.0 112.14 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.457 ' HA ' HG11 ' A' ' 45' ' ' VAL 0.422 0.0 OUTLIER -85.35 -16.94 38.26 Favored 'General case' 0 C--N 1.361 1.098 0 O-C-N 120.077 -1.837 . . . . 0.0 113.903 175.686 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -105.16 15.79 26.89 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 128.487 2.715 . . . . 0.0 114.105 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.68 154.57 58.9 Favored Pre-proline 0 C--N 1.367 1.332 0 C-N-CA 126.036 1.735 . . . . 0.0 110.366 176.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -75.81 152.79 37.46 Favored 'Trans proline' 0 CA--C 1.546 1.124 0 C-N-CA 124.201 3.267 . . . . 0.0 115.992 -171.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -71.49 138.78 83.67 Favored Pre-proline 0 C--N 1.364 1.22 0 C-N-CA 130.352 3.461 . . . . 0.0 115.709 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.1 148.09 84.38 Favored 'Cis proline' 0 CA--C 1.543 0.927 0 CA-C-N 122.134 1.798 . . . . 0.0 115.218 2.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -167.63 167.55 13.33 Favored 'General case' 0 CA--C 1.561 1.382 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 177.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.2 t -132.07 121.89 47.59 Favored 'Isoleucine or valine' 0 C--N 1.393 2.469 0 CA-C-O 123.517 1.627 . . . . 0.0 113.743 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.457 HG11 ' HA ' ' A' ' 37' ' ' LYS . 19.0 m -113.0 145.56 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 120.303 -1.498 . . . . 0.0 109.649 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.4 mp -95.24 137.02 24.51 Favored 'Isoleucine or valine' 0 C--N 1.368 1.398 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 173.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -154.2 -149.93 5.36 Favored Glycine 0 C--N 1.351 1.4 0 N-CA-C 105.935 -2.866 . . . . 0.0 105.935 175.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -146.53 160.79 41.68 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.865 -1.373 . . . . 0.0 108.763 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 . . . . . 0 C--N 1.367 1.33 0 C-N-CA 127.628 2.371 . . . . 0.0 105.47 178.273 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.1 t30 . . . . . 0 CA--C 1.542 0.647 0 CA-C-O 122.914 1.34 . . . . 0.0 112.638 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.512 HG21 ' CD1' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -108.7 132.8 55.68 Favored 'Isoleucine or valine' 0 C--N 1.365 1.251 0 C-N-CA 130.198 3.399 . . . . 0.0 102.264 172.302 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 93.2 m -132.46 128.38 37.33 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 119.239 -2.163 . . . . 0.0 109.267 174.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -154.53 161.11 41.81 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 124.45 1.1 . . . . 0.0 109.374 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.65 163.47 28.86 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-O 123.26 1.505 . . . . 0.0 109.931 174.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -129.18 138.1 51.54 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 101.801 -3.407 . . . . 0.0 101.801 166.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -112.27 118.56 35.61 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 100.298 -3.964 . . . . 0.0 100.298 -178.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.4 t -121.31 111.13 30.08 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 N-CA-C 103.806 -2.664 . . . . 0.0 103.806 -165.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . 0.28 0.0 OUTLIER -130.87 138.18 49.7 Favored 'General case' 0 C--N 1.373 1.598 0 C-N-CA 115.566 -2.454 . . . . 0.0 112.484 -176.27 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.05 76.79 0.37 Allowed Glycine 0 C--N 1.371 2.495 0 C-N-CA 123.507 0.575 . . . . 0.0 112.664 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.97 95.56 2.01 Favored Glycine 0 C--N 1.362 1.978 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.0 m -177.98 -54.52 0.01 OUTLIER 'General case' 0 C--N 1.351 0.648 0 N-CA-C 103.934 -2.617 . . . . 0.0 103.934 -175.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.1 m -163.43 154.95 17.07 Favored 'General case' 0 C--N 1.361 1.082 0 N-CA-C 104.459 -2.423 . . . . 0.0 104.459 173.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -53.99 -35.11 61.5 Favored 'General case' 0 C--N 1.373 1.608 0 C-N-CA 129.289 3.036 . . . . 0.0 116.356 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.74 -35.97 64.3 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 129.028 2.931 . . . . 0.0 114.424 174.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -70.06 -39.27 75.77 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 124.555 1.142 . . . . 0.0 111.812 174.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.435 ' HA ' HG12 ' A' ' 82' ' ' ILE . . . -69.49 -42.51 74.68 Favored 'General case' 0 C--N 1.367 1.354 0 N-CA-C 116.627 2.084 . . . . 0.0 116.627 176.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -67.61 -39.65 84.72 Favored 'General case' 0 C--N 1.373 1.608 0 C-N-CA 126.643 1.977 . . . . 0.0 110.757 175.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -67.6 -51.94 44.4 Favored 'General case' 0 C--N 1.377 1.786 0 C-N-CA 124.567 1.147 . . . . 0.0 114.002 172.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.435 HG12 ' HA ' ' A' ' 79' ' ' ALA 0.279 9.9 pt -60.5 -38.06 76.88 Favored 'Isoleucine or valine' 0 C--N 1.384 2.092 0 C-N-CA 125.967 1.707 . . . . 0.0 114.25 177.765 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.9 m -63.58 -40.75 97.76 Favored 'General case' 0 C--N 1.371 1.509 0 C-N-CA 125.562 1.545 . . . . 0.0 112.581 174.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 91.3 p -68.6 -42.26 78.42 Favored 'General case' 0 C--N 1.379 1.849 0 C-N-CA 127.741 2.416 . . . . 0.0 112.989 175.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -66.59 -35.17 79.55 Favored 'General case' 0 C--N 1.376 1.76 0 C-N-CA 125.479 1.512 . . . . 0.0 112.86 174.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.9 t -69.26 -50.21 54.36 Favored 'Isoleucine or valine' 0 C--N 1.379 1.86 0 C-N-CA 126.733 2.013 . . . . 0.0 113.317 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.509 0.0 OUTLIER -69.04 -35.73 76.92 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-N 123.838 3.017 . . . . 0.0 114.88 176.61 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -57.57 -47.96 80.66 Favored 'General case' 0 C--N 1.381 1.976 0 C-N-CA 126.929 2.091 . . . . 0.0 112.728 171.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.66 -50.23 74.62 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 129.0 2.92 . . . . 0.0 114.239 170.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.459 ' CD1' HD21 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -47.2 -41.51 18.3 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 129.925 3.29 . . . . 0.0 114.278 177.418 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.629 0.2 OUTLIER -108.51 10.54 27.22 Favored 'General case' 0 C--N 1.373 1.6 0 N-CA-C 116.828 2.159 . . . . 0.0 116.828 165.617 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -43.51 41.33 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 118.108 -2.87 . . . . 0.0 109.871 177.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.565 ' HG2' ' HB3' ' A' ' 17' ' ' ASN . 3.6 tttp -122.62 94.08 47.9 Favored Pre-proline 0 C--N 1.35 0.61 0 N-CA-C 104.046 -2.575 . . . . 0.0 104.046 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -63.23 148.96 92.6 Favored 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 124.791 3.661 . . . . 0.0 115.845 -170.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.98 106.54 6.53 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 123.737 1.732 . . . . 0.0 115.274 -172.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 52.5 ttm -144.19 131.79 21.14 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 128.381 2.672 . . . . 0.0 107.807 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -135.41 120.42 18.7 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 104.363 -2.458 . . . . 0.0 104.363 173.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . 0.382 10.8 pt-20 66.67 25.86 9.76 Favored 'General case' 0 C--N 1.356 0.876 1 C-N-CA 132.742 4.417 . . . . 0.0 115.633 176.396 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.24 -1.83 70.49 Favored Glycine 0 C--N 1.357 1.728 0 C-N-CA 126.769 2.128 . . . . 0.0 112.689 -175.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -102.71 125.33 49.41 Favored 'General case' 0 C--N 1.359 0.981 0 O-C-N 121.497 -1.002 . . . . 0.0 109.51 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.77 142.87 29.76 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 127.469 2.308 . . . . 0.0 113.445 -175.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 7' ' ' SER 0.321 0.0 OUTLIER -128.69 144.09 51.08 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 124.524 1.13 . . . . 0.0 108.503 -179.609 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.9 t -106.39 121.48 59.0 Favored 'Isoleucine or valine' 0 C--N 1.349 0.56 0 C-N-CA 126.22 1.808 . . . . 0.0 108.258 -169.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.23 137.58 33.41 Favored 'General case' 0 C--N 1.368 1.394 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt . . . . . 0 C--N 1.366 1.313 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 -177.634 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 . . . . . 0 N--CA 1.444 -0.751 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.57 144.22 15.82 Favored Glycine 0 C--N 1.351 1.403 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 11.6 tt -115.27 116.1 51.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 103.921 -2.622 . . . . 0.0 103.921 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 31.7 mt -106.1 115.73 48.38 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 -177.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -102.82 131.38 49.73 Favored 'General case' 0 C--N 1.363 1.185 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 175.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . 0.252 14.0 t -118.72 132.31 68.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 172.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -116.05 123.66 48.49 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 102.895 -3.002 . . . . 0.0 102.895 176.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.71 133.45 52.12 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 126.119 1.767 . . . . 0.0 106.745 -172.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 89.7 m -131.35 143.16 50.29 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.853 -1.154 . . . . 0.0 109.744 -171.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.364 1.212 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 176.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mm? . . . . . 0 C--O 1.224 -0.247 0 N-CA-C 113.529 0.936 . . . . 0.0 113.529 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.18 -43.2 78.67 Favored 'General case' 0 C--N 1.363 1.184 0 C-N-CA 125.644 1.577 . . . . 0.0 114.656 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.0 m -61.15 -47.82 84.46 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 125.754 1.622 . . . . 0.0 114.031 177.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.552 49.1 tpt85 -72.15 -37.04 69.49 Favored 'General case' 0 C--O 1.243 0.722 0 C-N-CA 129.022 2.929 . . . . 0.0 114.147 175.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.85 -23.38 18.15 Favored 'General case' 0 CA--C 1.565 1.529 0 O-C-N 118.974 -2.329 . . . . 0.0 115.543 165.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 102' ' ' PHE 0.257 0.3 OUTLIER -60.15 -31.1 69.78 Favored 'General case' 0 C--N 1.383 2.04 0 O-C-N 119.755 -1.841 . . . . 0.0 114.808 161.782 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.262 48.7 mt-30 -69.39 -36.9 77.22 Favored 'General case' 0 C--N 1.378 1.814 0 C-N-CA 126.282 1.833 . . . . 0.0 109.949 173.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -62.41 -40.79 97.66 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 165.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.45 74.83 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 126.762 2.025 . . . . 0.0 112.419 173.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.8 m -69.59 -40.85 76.45 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 129.35 3.06 . . . . 0.0 109.816 174.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.7 -31.24 50.25 Favored 'Isoleucine or valine' 0 C--N 1.377 1.8 0 O-C-N 119.729 -1.857 . . . . 0.0 111.708 166.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -68.1 -36.93 80.57 Favored 'General case' 0 C--N 1.367 1.364 0 N-CA-C 116.293 1.96 . . . . 0.0 116.293 169.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.572 ' HB3' ' HG2' ' A' ' 93' ' ' LYS 0.273 0.5 OUTLIER -65.79 -35.49 80.85 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-N 120.407 1.458 . . . . 0.0 113.485 163.565 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.546 HD13 HG21 ' A' ' 31' ' ' VAL . 49.1 mt -65.59 -36.19 83.03 Favored 'General case' 0 C--N 1.366 1.314 0 CA-C-N 120.515 1.507 . . . . 0.0 115.011 174.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -83.2 -26.17 31.09 Favored 'General case' 0 C--N 1.373 1.621 0 C-N-CA 123.277 0.631 . . . . 0.0 112.14 173.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 m -83.31 -20.69 33.92 Favored 'General case' 0 C--N 1.382 1.992 0 O-C-N 120.604 -1.31 . . . . 0.0 113.128 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -91.38 94.05 9.32 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-O 123.266 1.508 . . . . 0.0 111.065 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.35 3.5 pt20 -53.65 -37.95 57.07 Favored Pre-proline 0 C--N 1.359 0.987 0 N-CA-C 119.246 3.054 . . . . 0.0 119.246 178.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -63.76 -19.03 66.46 Favored 'Trans proline' 0 C--N 1.362 1.283 0 C-N-CA 125.179 3.919 . . . . 0.0 114.107 167.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.92 -19.86 58.46 Favored 'General case' 0 C--N 1.376 1.736 0 CA-C-N 121.474 1.943 . . . . 0.0 113.819 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 59.6 mtt -66.81 -28.96 68.79 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 129.674 3.19 . . . . 0.0 114.059 177.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -94.41 -12.85 27.03 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 128.147 2.579 . . . . 0.0 111.782 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 25.8 mmt -102.62 -35.37 8.73 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 127.782 2.433 . . . . 0.0 114.677 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.403 HG21 ' HB ' ' A' ' 31' ' ' VAL . 3.1 p -123.52 145.36 30.64 Favored 'Isoleucine or valine' 0 C--N 1.363 1.18 0 O-C-N 120.263 -1.523 . . . . 0.0 109.701 177.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -102.17 -43.34 5.76 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 125.518 2.58 . . . . 0.0 113.267 177.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.719 0.0 OUTLIER -114.69 41.08 2.43 Favored 'General case' 0 CA--C 1.49 -1.336 1 C-N-CA 133.903 4.881 . . . . 0.0 117.126 -166.596 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.546 HG21 HD13 ' A' ' 18' ' ' LEU . 7.6 p -85.15 111.91 21.35 Favored 'Isoleucine or valine' 0 C--N 1.358 0.972 0 O-C-N 120.371 -1.456 . . . . 0.0 110.037 -176.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 t -145.84 162.15 38.36 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-O 123.6 1.667 . . . . 0.0 115.058 -173.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -110.87 47.89 0.96 Allowed 'General case' 0 C--N 1.363 1.181 0 C-N-CA 127.36 2.264 . . . . 0.0 107.789 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.5 p -152.38 168.09 11.99 Favored Pre-proline 0 C--N 1.352 0.7 0 C-N-CA 126.926 2.091 . . . . 0.0 107.527 -175.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -70.51 141.38 42.05 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 124.42 3.413 . . . . 0.0 112.784 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.23 51.71 0.02 OUTLIER Glycine 0 C--N 1.357 1.735 0 N-CA-C 106.452 -2.659 . . . . 0.0 106.452 -172.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.29 -13.65 51.93 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 126.824 2.049 . . . . 0.0 111.962 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -106.43 15.76 25.57 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 130.51 3.524 . . . . 0.0 111.737 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -90.23 166.97 18.01 Favored Pre-proline 0 C--N 1.364 1.211 0 CA-C-O 116.724 -1.607 . . . . 0.0 112.052 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -65.26 139.23 59.24 Favored 'Trans proline' 0 C--N 1.364 1.386 0 C-N-CA 124.802 3.668 . . . . 0.0 118.617 -168.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -81.3 127.06 75.08 Favored Pre-proline 0 C--N 1.356 0.877 0 C-N-CA 129.151 2.98 . . . . 0.0 114.464 -176.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -81.26 149.63 75.68 Favored 'Cis proline' 0 CA--C 1.554 1.507 0 CA-C-N 123.75 2.375 . . . . 0.0 115.021 0.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -165.35 166.69 18.44 Favored 'General case' 0 C--N 1.372 1.559 0 C-N-CA 125.02 1.328 . . . . 0.0 112.899 -174.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.4 t -138.53 138.54 42.51 Favored 'Isoleucine or valine' 0 C--N 1.389 2.297 0 CA-C-O 122.934 1.35 . . . . 0.0 113.152 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.468 HG22 ' CH2' ' A' ' 71' ' ' TRP . 16.6 m -117.41 143.66 27.29 Favored 'Isoleucine or valine' 0 C--N 1.359 1.002 0 O-C-N 120.779 -1.2 . . . . 0.0 107.79 163.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.9 mt -110.38 136.42 46.44 Favored 'Isoleucine or valine' 0 C--N 1.36 1.032 0 C-N-CA 127.149 2.179 . . . . 0.0 106.742 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.66 -118.27 0.77 Allowed Glycine 0 CA--C 1.495 -1.158 0 O-C-N 120.59 -1.319 . . . . 0.0 111.758 177.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -142.34 148.46 37.99 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 127.835 2.454 . . . . 0.0 105.214 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.419 ' HG3' HG13 ' A' ' 124' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.36 1.031 0 C-N-CA 128.132 2.573 . . . . 0.0 117.553 -171.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.8 m120 . . . . . 0 CA--C 1.538 0.488 0 CA-C-O 123.053 1.406 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 mp -137.4 135.04 46.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 N-CA-C 100.548 -3.871 . . . . 0.0 100.548 176.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 t -131.97 129.2 39.87 Favored 'General case' 0 C--N 1.359 1.022 0 N-CA-C 104.914 -2.254 . . . . 0.0 104.914 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 41.9 mtp -127.32 128.18 45.52 Favored 'General case' 0 CA--C 1.501 -0.936 0 C-N-CA 126.434 1.894 . . . . 0.0 108.982 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.53 144.85 44.68 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 166.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -127.26 136.52 52.11 Favored 'General case' 0 C--O 1.244 0.767 0 N-CA-C 104.066 -2.568 . . . . 0.0 104.066 174.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -119.28 117.89 29.79 Favored 'General case' 0 C--N 1.359 0.994 0 N-CA-C 102.343 -3.206 . . . . 0.0 102.343 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.2 m -127.68 126.4 66.96 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 -168.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.468 ' CH2' HG22 ' A' ' 45' ' ' VAL . 4.6 m-90 -124.61 137.19 54.4 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 117.954 -1.499 . . . . 0.0 107.461 177.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.4 171.45 21.9 Favored Glycine 0 C--N 1.356 1.684 0 N-CA-C 107.539 -2.224 . . . . 0.0 107.539 172.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -144.67 149.24 21.32 Favored Glycine 0 C--N 1.349 1.294 0 N-CA-C 107.48 -2.248 . . . . 0.0 107.48 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.255 88.7 m 138.76 -58.74 0.0 OUTLIER 'General case' 0 C--N 1.364 1.21 0 C-N-CA 130.417 3.487 . . . . 0.0 108.585 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.9 m -160.42 155.98 25.36 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -56.63 -35.32 68.19 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 128.848 2.859 . . . . 0.0 116.761 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.28 80.1 Favored 'General case' 0 C--N 1.364 1.199 0 C-N-CA 129.745 3.218 . . . . 0.0 114.222 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -61.5 -33.48 73.87 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 128.452 2.701 . . . . 0.0 113.502 176.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.27 -34.15 77.67 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 127.36 2.264 . . . . 0.0 113.236 173.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -77.81 -34.92 51.86 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 126.879 2.071 . . . . 0.0 111.68 174.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.7 -43.85 83.26 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 126.797 2.039 . . . . 0.0 113.335 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.0 pt -67.27 -37.56 79.32 Favored 'Isoleucine or valine' 0 C--N 1.374 1.641 0 C-N-CA 126.003 1.721 . . . . 0.0 112.348 174.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 t -68.4 -39.29 81.7 Favored 'General case' 0 C--N 1.372 1.548 0 C-N-CA 126.7 2.0 . . . . 0.0 112.519 173.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.9 t -59.3 -37.69 78.37 Favored 'General case' 0 C--N 1.374 1.669 0 C-N-CA 128.258 2.623 . . . . 0.0 112.228 168.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -44.1 73.02 Favored 'General case' 0 C--N 1.373 1.6 0 C-N-CA 126.985 2.114 . . . . 0.0 114.011 170.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.349 1.7 p -67.99 -41.03 84.23 Favored 'Isoleucine or valine' 0 C--N 1.381 1.955 0 CA-C-N 121.861 2.119 . . . . 0.0 112.976 176.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.28 -44.47 96.45 Favored 'General case' 0 C--N 1.372 1.572 0 C-N-CA 130.522 3.529 . . . . 0.0 112.242 172.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -61.58 -41.0 96.78 Favored 'General case' 0 C--N 1.377 1.773 0 C-N-CA 126.021 1.728 . . . . 0.0 113.679 170.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.454 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -58.83 -51.24 70.85 Favored 'General case' 0 C--N 1.376 1.72 0 CA-C-N 120.497 1.499 . . . . 0.0 112.744 168.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.9 mt -53.15 -40.23 64.13 Favored 'General case' 0 C--N 1.383 2.034 0 N-CA-C 116.916 2.191 . . . . 0.0 116.916 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.365 0.2 OUTLIER -100.03 9.18 43.29 Favored 'General case' 0 C--N 1.369 1.454 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 170.539 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.454 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 0.5 OUTLIER -77.93 -49.71 13.63 Favored 'General case' 0 C--N 1.363 1.169 0 O-C-N 119.114 -2.241 . . . . 0.0 107.07 178.803 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.572 ' HG2' ' HB3' ' A' ' 17' ' ' ASN 0.286 12.9 ptpt -117.99 113.93 37.43 Favored Pre-proline 0 C--N 1.357 0.908 0 N-CA-C 103.579 -2.749 . . . . 0.0 103.579 169.625 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -62.04 149.82 88.9 Favored 'Trans proline' 0 C--N 1.37 1.689 0 C-N-CA 124.544 3.496 . . . . 0.0 114.921 -172.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.6 mt -73.81 107.66 6.18 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -171.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 47.2 ttm -144.49 141.44 29.55 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 126.253 1.821 . . . . 0.0 111.268 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -137.33 110.61 7.87 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 66.1 12.63 8.63 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 130.535 3.534 . . . . 0.0 115.769 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.43 -2.11 34.66 Favored Glycine 0 C--N 1.348 1.215 0 C-N-CA 125.776 1.655 . . . . 0.0 111.119 -170.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -93.34 123.57 36.72 Favored 'General case' 0 C--N 1.37 1.5 0 CA-C-N 120.149 1.975 . . . . 0.0 109.127 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.23 137.86 40.8 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 127.323 2.249 . . . . 0.0 112.788 -175.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -132.68 117.1 17.46 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 126.999 2.119 . . . . 0.0 107.687 -179.276 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.1 t -109.85 146.25 15.44 Favored 'Isoleucine or valine' 0 C--N 1.362 1.116 0 C-N-CA 125.806 1.642 . . . . 0.0 108.885 -174.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.01 124.22 28.99 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 126.264 1.825 . . . . 0.0 115.126 -171.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 62.0 tttp . . . . . 0 C--N 1.358 0.957 0 C-N-CA 125.746 1.618 . . . . 0.0 107.906 179.468 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 . . . . . 0 N--CA 1.444 -0.743 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -114.34 134.97 12.07 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 107.118 -2.393 . . . . 0.0 107.118 166.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.419 HG13 ' HG3' ' A' ' 49' ' ' GLN . 0.4 OUTLIER -123.64 127.31 73.92 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.744 0 N-CA-C 103.166 -2.902 . . . . 0.0 103.166 176.209 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.4 tp -133.95 124.91 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 N-CA-C 103.899 -2.63 . . . . 0.0 103.899 -177.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -132.63 134.11 44.47 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 -175.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.2 p -144.14 140.51 24.78 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 CA-C-O 122.576 1.179 . . . . 0.0 109.61 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 53.2 ttm-85 -118.77 140.02 50.62 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 126.437 1.895 . . . . 0.0 107.976 175.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -124.63 152.92 43.01 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 125.323 1.449 . . . . 0.0 109.333 -178.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.8 m -109.73 140.38 43.68 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 125.518 1.527 . . . . 0.0 109.375 176.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 9.3 tt . . . . . 0 C--N 1.354 0.774 0 N-CA-C 103.079 -2.934 . . . . 0.0 103.079 172.004 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.7 mt . . . . . 0 N--CA 1.444 -0.748 0 N-CA-C 111.277 0.103 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.2 80.37 Favored 'General case' 0 C--N 1.378 1.834 0 C-N-CA 126.22 1.808 . . . . 0.0 114.505 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.6 m -64.92 -47.34 78.08 Favored 'General case' 0 C--N 1.365 1.242 0 CA-C-O 124.578 2.133 . . . . 0.0 112.943 176.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.49 56.2 ttp180 -73.85 -38.75 64.38 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 128.666 2.786 . . . . 0.0 115.291 174.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -23.48 65.22 Favored 'General case' 0 C--N 1.365 1.278 0 O-C-N 118.026 -2.921 . . . . 0.0 114.077 168.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.475 HD22 ' CD1' ' A' ' 102' ' ' PHE 0.445 0.2 OUTLIER -68.36 -28.62 67.28 Favored 'General case' 0 C--N 1.372 1.571 0 O-C-N 119.422 -2.049 . . . . 0.0 112.332 166.717 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -43.02 99.29 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 126.068 1.747 . . . . 0.0 111.554 170.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.384 0.0 OUTLIER -65.06 -30.17 71.11 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 170.726 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.65 -33.37 70.89 Favored 'General case' 0 C--N 1.365 1.28 0 O-C-N 120.367 -1.458 . . . . 0.0 114.515 167.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.273 28.9 p -69.03 -40.04 78.86 Favored 'General case' 0 C--N 1.382 2.022 0 C-N-CA 125.415 1.486 . . . . 0.0 110.844 168.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.45 -39.02 83.0 Favored 'Isoleucine or valine' 0 C--N 1.365 1.239 0 C-N-CA 124.782 1.233 . . . . 0.0 113.655 174.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -70.27 -29.06 65.73 Favored 'General case' 0 C--N 1.367 1.357 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 170.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -64.05 -44.85 91.19 Favored 'General case' 0 C--N 1.372 1.586 0 O-C-N 119.113 -2.242 . . . . 0.0 111.788 168.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.6 mt -64.44 -31.4 72.59 Favored 'General case' 0 C--N 1.362 1.147 0 O-C-N 120.794 -1.192 . . . . 0.0 113.993 175.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -33.58 65.9 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 126.271 1.828 . . . . 0.0 112.756 168.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.0 m -81.93 -18.41 43.71 Favored 'General case' 0 C--N 1.376 1.761 0 C-N-CA 125.937 1.695 . . . . 0.0 115.239 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -87.24 99.53 12.02 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 120.557 -1.339 . . . . 0.0 111.61 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.41 7.0 pt20 -42.15 -48.42 11.54 Favored Pre-proline 0 C--N 1.364 1.213 0 N-CA-C 121.064 3.727 . . . . 0.0 121.064 -177.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -66.5 -22.95 50.89 Favored 'Trans proline' 0 CA--C 1.551 1.357 0 CA-C-N 127.839 3.835 . . . . 0.0 115.609 166.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.45 -32.13 67.98 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-N 121.819 2.099 . . . . 0.0 113.147 -177.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 46.5 mtp -56.66 -28.45 60.7 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 130.246 3.418 . . . . 0.0 114.556 166.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -94.95 -14.69 24.2 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.169 2.188 . . . . 0.0 112.384 175.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.15 -39.18 10.71 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 127.714 2.406 . . . . 0.0 110.678 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 m -134.17 144.87 34.12 Favored 'Isoleucine or valine' 0 C--N 1.364 1.198 0 N-CA-C 104.301 -2.481 . . . . 0.0 104.301 173.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -100.93 -42.66 6.34 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 128.168 2.587 . . . . 0.0 114.011 -176.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.804 14.6 mm-40 -98.43 41.14 1.15 Allowed 'General case' 0 CA--C 1.5 -0.948 1 C-N-CA 133.469 4.707 . . . . 0.0 115.968 -172.63 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -84.99 107.69 16.19 Favored 'Isoleucine or valine' 0 C--N 1.361 1.077 0 CA-C-O 124.351 2.024 . . . . 0.0 106.662 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.6 t -147.4 168.87 20.75 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 112.12 -2.309 . . . . 0.0 112.141 -169.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -101.28 -17.95 16.33 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 127.508 2.323 . . . . 0.0 111.331 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.274 10.6 m -169.5 -67.63 0.0 OUTLIER Pre-proline 0 C--N 1.363 1.182 0 CA-C-O 116.171 -1.871 . . . . 0.0 112.0 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -72.49 136.39 26.03 Favored 'Trans proline' 0 C--N 1.364 1.375 0 CA-C-N 127.241 3.622 . . . . 0.0 111.001 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.93 4.72 57.69 Favored Glycine 0 C--N 1.353 1.523 0 O-C-N 121.224 -0.922 . . . . 0.0 112.453 -168.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.25 0.1 OUTLIER -79.02 -21.58 46.73 Favored 'General case' 0 C--N 1.373 1.605 0 O-C-N 120.387 -1.655 . . . . 0.0 114.977 -179.069 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -99.12 10.89 40.54 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 128.032 2.533 . . . . 0.0 112.551 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.32 164.19 28.3 Favored Pre-proline 0 C--N 1.358 0.961 0 C-N-CA 125.64 1.576 . . . . 0.0 110.257 178.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.25 163.0 15.2 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.754 2.969 . . . . 0.0 114.036 -174.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.413 ' CE1' ' CE1' ' A' ' 43' ' ' TYR . 73.6 m-85 -65.98 147.03 98.99 Favored Pre-proline 0 C--N 1.364 1.204 0 C-N-CA 129.359 3.063 . . . . 0.0 115.195 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -81.94 147.9 68.84 Favored 'Cis proline' 0 CA--C 1.549 1.253 0 CA-C-N 121.131 1.44 . . . . 0.0 114.253 2.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.413 ' CE1' ' CE1' ' A' ' 41' ' ' TYR . 25.8 p90 -166.74 167.82 14.82 Favored 'General case' 0 C--N 1.367 1.337 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.1 t -135.28 128.57 48.83 Favored 'Isoleucine or valine' 0 C--N 1.395 2.547 0 CA-C-O 123.132 1.444 . . . . 0.0 109.709 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.468 HG22 ' CH2' ' A' ' 71' ' ' TRP . 13.7 m -119.04 143.58 29.81 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 O-C-N 120.259 -1.525 . . . . 0.0 110.025 173.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 37.4 mm -78.63 139.85 17.82 Favored 'Isoleucine or valine' 0 C--N 1.366 1.31 0 C-N-CA 127.291 2.236 . . . . 0.0 109.881 170.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.04 -166.01 20.02 Favored Glycine 0 CA--C 1.493 -1.333 0 N-CA-C 107.028 -2.429 . . . . 0.0 107.028 174.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -145.97 145.51 30.68 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 102.996 -2.964 . . . . 0.0 102.996 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 . . . . . 0 C--N 1.359 0.987 0 O-C-N 120.547 -1.346 . . . . 0.0 111.77 -174.351 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.3 t30 . . . . . 0 N--CA 1.445 -0.694 0 N-CA-C 102.071 -3.307 . . . . 0.0 102.071 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.1 121.81 60.43 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 N-CA-C 102.008 -3.331 . . . . 0.0 102.008 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.3 p -128.43 119.32 24.73 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-O 117.146 -1.407 . . . . 0.0 108.801 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 3.7 tpt -154.19 162.14 41.38 Favored 'General case' 0 C--N 1.37 1.488 0 CA-C-N 119.409 1.004 . . . . 0.0 109.991 174.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.38 163.88 28.69 Favored 'General case' 0 C--N 1.36 1.033 0 O-C-N 119.897 -1.752 . . . . 0.0 110.046 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.63 150.23 49.57 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 104.201 -2.518 . . . . 0.0 104.201 172.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -112.04 118.82 36.46 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 100.262 -3.977 . . . . 0.0 100.262 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.8 t -119.52 111.65 33.94 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.15 0 N-CA-C 103.916 -2.624 . . . . 0.0 103.916 -168.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.468 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -133.93 139.56 46.21 Favored 'General case' 0 C--N 1.366 1.306 0 C-N-CA 116.145 -2.222 . . . . 0.0 107.964 -177.014 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -127.83 174.19 18.67 Favored Glycine 0 C--N 1.36 1.87 0 CA-C-O 122.116 0.842 . . . . 0.0 111.916 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -129.45 -154.2 8.1 Favored Glycine 0 C--N 1.357 1.746 0 C-N-CA 128.582 2.991 . . . . 0.0 108.511 177.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.9 m 73.15 -62.87 0.46 Allowed 'General case' 0 C--N 1.364 1.2 0 C-N-CA 127.736 2.414 . . . . 0.0 117.215 172.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.0 m -159.41 155.17 26.17 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 125.279 1.432 . . . . 0.0 107.702 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.73 -34.24 38.19 Favored 'General case' 0 C--N 1.366 1.311 1 C-N-CA 132.406 4.282 . . . . 0.0 116.017 177.21 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.57 -35.15 77.0 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 130.08 3.352 . . . . 0.0 113.918 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -60.93 -33.11 72.65 Favored 'General case' 0 C--N 1.372 1.557 0 C-N-CA 127.853 2.461 . . . . 0.0 114.386 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.68 -39.42 80.59 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 130.532 3.533 . . . . 0.0 113.824 174.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -40.2 63.49 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 127.77 2.428 . . . . 0.0 110.186 174.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -62.56 -42.17 99.37 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 127.008 2.123 . . . . 0.0 112.933 171.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.283 14.8 pt -67.17 -44.89 87.54 Favored 'Isoleucine or valine' 0 C--N 1.373 1.619 0 CA-C-N 121.033 1.742 . . . . 0.0 112.773 172.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.4 t -67.65 -44.09 78.74 Favored 'General case' 0 C--N 1.367 1.342 0 CA-C-N 120.965 1.711 . . . . 0.0 114.74 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.2 t -67.24 -34.74 78.1 Favored 'General case' 0 C--N 1.371 1.533 0 C-N-CA 127.391 2.276 . . . . 0.0 113.51 174.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -75.42 -29.78 59.84 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 125.929 1.692 . . . . 0.0 111.662 173.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.1 t -66.76 -49.56 73.4 Favored 'Isoleucine or valine' 0 C--N 1.383 2.048 0 C-N-CA 127.789 2.435 . . . . 0.0 111.169 171.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.36 3.4 pp -65.01 -37.11 86.58 Favored 'General case' 0 C--N 1.378 1.825 0 O-C-N 119.722 -1.861 . . . . 0.0 114.333 175.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.45 -45.3 94.86 Favored 'General case' 0 C--N 1.376 1.73 0 C-N-CA 126.352 1.861 . . . . 0.0 112.282 170.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.55 -54.01 50.59 Favored 'General case' 0 C--N 1.375 1.686 0 C-N-CA 126.553 1.941 . . . . 0.0 113.466 170.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 27.5 mt -48.77 -31.91 7.74 Favored 'General case' 0 C--N 1.381 1.955 0 C-N-CA 128.463 2.705 . . . . 0.0 116.407 176.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.537 0.3 OUTLIER -110.53 9.52 23.17 Favored 'General case' 0 C--N 1.374 1.635 0 N-CA-C 116.766 2.136 . . . . 0.0 116.766 162.784 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -44.58 35.9 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 117.814 -3.054 . . . . 0.0 108.517 175.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.67 142.31 24.68 Favored Pre-proline 0 C--N 1.358 0.956 0 N-CA-C 102.17 -3.27 . . . . 0.0 102.17 173.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -79.65 155.67 24.24 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 124.267 3.312 . . . . 0.0 111.275 -175.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.8 mt -90.37 107.34 19.09 Favored 'General case' 0 C--N 1.366 1.313 0 CA-C-O 123.792 1.758 . . . . 0.0 108.705 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.1 ttt -144.55 135.06 24.59 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 112.716 -2.038 . . . . 0.0 109.893 -168.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -133.53 108.66 8.75 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 175.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 74.01 18.29 3.26 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 129.832 3.253 . . . . 0.0 114.2 176.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.48 5.16 57.01 Favored Glycine 0 C--N 1.354 1.544 0 C-N-CA 125.733 1.635 . . . . 0.0 112.322 -174.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -101.1 125.05 47.69 Favored 'General case' 0 C--N 1.36 1.059 0 CA-C-N 118.725 1.262 . . . . 0.0 110.617 -177.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.7 p -93.45 133.5 36.66 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 127.944 2.498 . . . . 0.0 114.734 -176.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.475 ' CD1' HD22 ' A' ' 10' ' ' LEU 0.287 0.0 OUTLIER -133.76 152.72 51.95 Favored 'General case' 0 C--N 1.363 1.156 0 O-C-N 121.061 -1.025 . . . . 0.0 108.563 179.568 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.8 t -106.46 117.1 51.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.026 0 C-N-CA 127.206 2.202 . . . . 0.0 111.62 -169.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.35 138.17 33.64 Favored 'General case' 0 C--N 1.366 1.315 0 N-CA-C 118.582 2.808 . . . . 0.0 118.582 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? . . . . . 0 C--N 1.36 1.06 0 C-N-CA 126.451 1.9 . . . . 0.0 107.906 170.149 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.519 -0.222 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.4 158.09 22.59 Favored Glycine 0 CA--C 1.488 -1.653 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.89 115.8 50.61 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 1 N-CA-C 99.201 -4.37 . . . . 0.0 99.201 172.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 49.6 mt -117.56 117.2 54.31 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 C-N-CA 125.06 1.344 . . . . 0.0 108.314 -171.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -92.42 131.77 37.31 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-O 122.784 1.278 . . . . 0.0 109.12 172.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.42 126.74 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 171.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -119.88 128.05 53.29 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 103.919 -2.622 . . . . 0.0 103.919 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -128.19 141.36 51.49 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 102.227 -3.249 . . . . 0.0 102.227 -173.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 86.5 m -132.51 144.75 50.65 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 105.944 -1.873 . . . . 0.0 105.944 -170.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.362 1.129 0 O-C-N 120.195 -1.566 . . . . 0.0 111.26 178.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 111.312 0.116 . . . . 0.0 111.312 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.32 -33.44 75.98 Favored 'General case' 0 C--N 1.381 1.951 0 C-N-CA 126.102 1.761 . . . . 0.0 113.52 175.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.443 ' O ' HD13 ' A' ' 64' ' ' ILE . 71.2 m -62.3 -48.37 80.15 Favored 'General case' 0 C--N 1.374 1.659 0 C-N-CA 124.311 1.044 . . . . 0.0 113.698 175.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.637 45.6 ttp180 -73.86 -37.29 64.83 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 119.237 -2.164 . . . . 0.0 116.554 169.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.35 -23.43 5.9 Favored 'General case' 0 CA--C 1.573 1.846 0 O-C-N 117.324 -3.36 . . . . 0.0 115.025 168.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.554 HD22 ' HB2' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -59.9 -29.29 68.26 Favored 'General case' 0 C--N 1.375 1.675 0 C-N-CA 128.295 2.638 . . . . 0.0 115.816 163.503 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.505 ' HA ' ' HE2' ' A' ' 66' ' ' MET . 0.7 OUTLIER -70.0 -41.32 74.52 Favored 'General case' 0 C--N 1.382 1.984 0 C-N-CA 128.948 2.899 . . . . 0.0 108.232 172.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -67.32 -30.22 70.0 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 115.07 -0.968 . . . . 0.0 113.135 168.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.44 -40.89 85.45 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 120.306 -1.496 . . . . 0.0 112.324 167.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.521 HG23 HD12 ' A' ' 95' ' ' LEU . 5.5 m -69.14 -36.97 78.02 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 123.951 1.834 . . . . 0.0 111.937 178.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -31.38 51.13 Favored 'Isoleucine or valine' 0 C--N 1.372 1.556 0 C-N-CA 125.224 1.41 . . . . 0.0 112.017 170.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.45 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 73.2 tt0 -70.86 -29.8 66.03 Favored 'General case' 0 C--N 1.372 1.562 0 C-N-CA 124.955 1.302 . . . . 0.0 113.394 172.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -68.82 -40.46 79.47 Favored 'General case' 0 C--N 1.368 1.413 0 C-N-CA 125.962 1.705 . . . . 0.0 110.857 171.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mp -59.03 -42.25 89.75 Favored 'General case' 0 C--N 1.377 1.792 0 N-CA-C 114.96 1.466 . . . . 0.0 114.96 169.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.45 ' HG2' ' HA ' ' A' ' 16' ' ' GLU 0.254 8.3 pt-20 -79.33 -16.57 56.11 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 171.108 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.4 m -83.37 -21.98 32.92 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 125.048 1.339 . . . . 0.0 112.867 175.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.443 ' CD2' ' HB2' ' A' ' 89' ' ' ALA . 9.4 t80 -84.58 102.86 13.21 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 124.861 1.265 . . . . 0.0 113.052 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.364 16.2 pt20 -44.52 -47.74 26.61 Favored Pre-proline 0 C--N 1.365 1.244 0 N-CA-C 120.862 3.653 . . . . 0.0 120.862 -179.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -66.42 -20.2 54.75 Favored 'Trans proline' 0 C--N 1.364 1.387 0 CA-C-N 127.55 3.732 . . . . 0.0 115.238 168.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.433 HD23 ' CG2' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -72.28 -34.56 68.28 Favored 'General case' 0 C--N 1.375 1.678 0 CA-C-N 121.346 1.885 . . . . 0.0 112.156 -179.165 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 76.7 mmm -63.08 -28.54 70.15 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 129.704 3.202 . . . . 0.0 116.841 175.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -94.69 -21.64 18.65 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 125.236 1.415 . . . . 0.0 112.197 176.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.7 mmt -86.67 -41.37 14.26 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.14 1.776 . . . . 0.0 112.929 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.433 ' CG2' HD23 ' A' ' 24' ' ' LEU . 16.0 m -126.59 146.05 33.1 Favored 'Isoleucine or valine' 0 C--N 1.364 1.218 0 N-CA-C 103.8 -2.667 . . . . 0.0 103.8 172.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -100.95 -39.29 7.83 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 129.442 3.097 . . . . 0.0 112.191 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.377 16.9 mt-30 -95.96 41.92 1.1 Allowed 'General case' 0 N--CA 1.428 -1.528 1 C-N-CA 140.973 7.709 . . . . 0.0 112.25 -164.078 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.3 t -86.43 106.97 16.2 Favored 'Isoleucine or valine' 0 C--N 1.38 1.895 0 N-CA-C 104.635 -2.357 . . . . 0.0 104.635 176.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 t -146.02 170.07 17.39 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 113.45 -1.705 . . . . 0.0 113.354 -170.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.06 23.0 3.28 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 126.913 2.085 . . . . 0.0 109.382 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 82.2 p -122.98 -164.96 0.06 OUTLIER Pre-proline 0 C--N 1.351 0.655 0 C-N-CA 126.783 2.033 . . . . 0.0 109.611 -171.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -62.77 141.26 84.41 Favored 'Trans proline' 0 C--N 1.371 1.737 0 C-N-CA 123.817 3.011 . . . . 0.0 110.347 160.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 148.16 -5.09 0.88 Allowed Glycine 0 C--N 1.348 1.196 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.793 -165.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.251 0.0 OUTLIER -78.21 -18.27 55.65 Favored 'General case' 0 C--N 1.365 1.25 0 N-CA-C 117.643 2.46 . . . . 0.0 117.643 -175.094 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -106.16 16.34 25.06 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 128.338 2.655 . . . . 0.0 114.628 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.15 179.85 1.2 Allowed Pre-proline 0 C--N 1.355 0.829 0 C-N-CA 127.297 2.239 . . . . 0.0 112.906 -172.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -64.93 131.76 30.01 Favored 'Trans proline' 0 C--N 1.367 1.546 0 C-N-CA 124.6 3.534 . . . . 0.0 115.933 -177.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -78.55 146.47 69.69 Favored Pre-proline 0 C--N 1.354 0.781 1 C-N-CA 132.627 4.371 . . . . 0.0 114.301 -174.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -85.98 148.28 42.13 Favored 'Cis proline' 0 C--N 1.364 1.392 0 CA-C-N 124.827 2.76 . . . . 0.0 114.53 1.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -173.37 169.42 4.44 Favored 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 114.498 1.295 . . . . 0.0 114.498 -175.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 p -138.52 137.48 43.41 Favored 'Isoleucine or valine' 0 C--N 1.406 3.058 0 N-CA-C 116.409 2.004 . . . . 0.0 116.409 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . 0.314 8.4 m -117.77 156.11 19.43 Favored 'Isoleucine or valine' 0 C--N 1.38 1.892 0 O-C-N 120.339 -1.476 . . . . 0.0 111.387 170.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.1 mm -81.69 139.65 17.65 Favored 'Isoleucine or valine' 0 C--N 1.369 1.436 0 C-N-CA 125.169 1.388 . . . . 0.0 110.471 169.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -159.37 -164.14 14.24 Favored Glycine 0 C--N 1.35 1.359 0 N-CA-C 106.067 -2.813 . . . . 0.0 106.067 174.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -146.49 147.66 31.41 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 105.771 -1.936 . . . . 0.0 105.771 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 . . . . . 0 C--N 1.364 1.221 0 CA-C-N 120.76 1.618 . . . . 0.0 114.884 -176.821 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.36 0.6 OUTLIER . . . . . 0 C--O 1.234 0.24 0 CA-C-O 123.589 1.661 . . . . 0.0 110.177 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.58 HD11 ' CD2' ' A' ' 102' ' ' PHE . 5.2 mt -118.29 132.79 67.12 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 C-N-CA 129.411 3.084 . . . . 0.0 107.103 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.1 p -116.45 118.45 32.71 Favored 'General case' 0 C--N 1.366 1.289 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 171.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.505 ' HE2' ' HA ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -144.96 139.53 27.61 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-N 119.815 1.189 . . . . 0.0 113.374 -175.094 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.0 163.18 25.92 Favored 'General case' 0 C--N 1.363 1.163 0 CA-C-O 124.638 2.161 . . . . 0.0 110.35 174.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.56 ' CZ ' HD11 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -131.8 136.57 47.63 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 101.21 -3.626 . . . . 0.0 101.21 168.253 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -113.24 119.19 36.88 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 -178.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -117.44 131.32 70.51 Favored 'Isoleucine or valine' 0 C--N 1.364 1.214 0 N-CA-C 107.672 -1.232 . . . . 0.0 107.672 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -130.56 123.66 30.05 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.06 -1.056 . . . . 0.0 108.555 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.96 118.8 5.71 Favored Glycine 0 C--N 1.363 2.047 0 C-N-CA 124.439 1.019 . . . . 0.0 111.262 174.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.29 25.95 26.25 Favored Glycine 0 C--N 1.361 1.934 0 C-N-CA 128.019 2.723 . . . . 0.0 114.719 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.7 p -103.79 -81.26 0.52 Allowed 'General case' 0 C--N 1.345 0.39 0 C-N-CA 127.812 2.445 . . . . 0.0 110.027 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -157.13 161.09 39.38 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 106.78 -1.563 . . . . 0.0 106.78 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 -51.64 -35.89 43.9 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 130.266 3.427 . . . . 0.0 117.792 -175.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.48 -36.06 78.42 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 126.113 1.765 . . . . 0.0 113.853 176.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -67.61 -33.15 74.42 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 126.854 2.062 . . . . 0.0 114.452 177.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.411 ' HA ' HG12 ' A' ' 82' ' ' ILE . . . -67.47 -35.09 78.5 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.946 2.098 . . . . 0.0 114.87 173.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -70.52 -38.97 74.34 Favored 'General case' 0 C--N 1.377 1.804 0 C-N-CA 128.475 2.71 . . . . 0.0 109.965 173.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 85' ' ' ARG . 28.9 t70 -65.15 -51.38 61.5 Favored 'General case' 0 C--N 1.372 1.58 0 C-N-CA 126.628 1.971 . . . . 0.0 111.683 172.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.411 HG12 ' HA ' ' A' ' 79' ' ' ALA 0.422 9.1 pt -63.47 -37.64 80.11 Favored 'Isoleucine or valine' 0 C--N 1.379 1.849 0 CA-C-N 121.759 2.072 . . . . 0.0 114.76 173.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.7 m -64.02 -46.68 83.38 Favored 'General case' 0 C--N 1.372 1.574 0 C-N-CA 127.475 2.31 . . . . 0.0 113.276 173.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.6 t -75.43 -27.85 59.12 Favored 'General case' 0 C--N 1.371 1.507 0 O-C-N 119.651 -1.906 . . . . 0.0 113.285 175.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 81' ' ' ASP . 0.7 OUTLIER -62.32 -42.0 99.02 Favored 'General case' 0 C--N 1.377 1.797 0 C-N-CA 128.571 2.748 . . . . 0.0 109.177 172.148 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.423 ' O ' HD13 ' A' ' 90' ' ' LEU . 0.9 OUTLIER -61.49 -50.52 80.0 Favored 'Isoleucine or valine' 0 C--N 1.373 1.621 0 C-N-CA 127.361 2.264 . . . . 0.0 112.711 169.87 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 90' ' ' LEU . 9.0 mp -60.89 -46.79 89.22 Favored 'General case' 0 N--CA 1.501 2.1 0 CA-C-N 123.089 2.677 . . . . 0.0 115.092 175.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 72.6 tt0 -62.03 -34.56 76.46 Favored 'General case' 0 C--N 1.37 1.487 0 CA-C-O 117.023 -1.465 . . . . 0.0 113.033 175.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB2' ' CD2' ' A' ' 21' ' ' TYR . . . -69.23 -46.33 67.64 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 126.51 1.924 . . . . 0.0 114.349 171.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.56 HD11 ' CZ ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -50.4 -47.54 56.42 Favored 'General case' 0 C--N 1.384 2.08 0 C-N-CA 129.386 3.074 . . . . 0.0 113.691 178.557 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.529 0.2 OUTLIER -104.2 10.48 35.72 Favored 'General case' 0 C--N 1.37 1.467 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 172.055 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.449 ' HB3' ' O ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -75.92 -48.68 20.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 119.251 -2.155 . . . . 0.0 108.834 175.002 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER -126.07 137.49 30.26 Favored Pre-proline 0 C--N 1.353 0.722 0 N-CA-C 102.16 -3.274 . . . . 0.0 102.16 171.687 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.65 159.49 21.95 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 124.496 3.464 . . . . 0.0 112.732 -170.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.554 ' HB2' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -99.0 107.64 20.12 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-O 123.733 1.73 . . . . 0.0 109.659 178.831 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 34.9 ttp -143.56 131.06 21.08 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 -176.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -129.62 123.04 30.29 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 176.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 81.06 7.83 1.18 Allowed 'General case' 0 C--N 1.367 1.332 0 C-N-CA 130.916 3.686 . . . . 0.0 113.818 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 90.68 12.96 60.18 Favored Glycine 0 C--N 1.357 1.728 0 C-N-CA 125.474 1.511 . . . . 0.0 110.861 -170.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -109.36 125.04 51.94 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 124.118 0.967 . . . . 0.0 111.099 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.3 t -109.84 156.34 20.5 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 126.222 1.809 . . . . 0.0 108.523 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CD2' HD11 ' A' ' 64' ' ' ILE . 8.4 m-85 -121.16 159.1 26.54 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 102.116 -3.29 . . . . 0.0 102.116 -176.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.3 t -105.56 121.85 58.25 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.565 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.15 137.77 33.93 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 125.45 1.5 . . . . 0.0 114.155 -173.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 N--CA 1.44 -0.964 0 C-N-CA 128.398 2.679 . . . . 0.0 106.215 178.686 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.6 m80 . . . . . 0 C--O 1.236 0.37 0 N-CA-C 103.442 -2.799 . . . . 0.0 103.442 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -125.71 143.38 14.42 Favored Glycine 0 C--N 1.365 2.184 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 -171.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 17.4 tt -123.27 119.06 56.52 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.2 mp -109.9 113.62 44.72 Favored 'Isoleucine or valine' 0 C--N 1.359 0.988 0 N-CA-C 106.233 -1.765 . . . . 0.0 106.233 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -114.27 131.21 56.58 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 125.04 1.336 . . . . 0.0 108.288 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 15.3 t -123.55 143.89 35.12 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 174.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -119.27 139.0 52.63 Favored 'General case' 0 C--N 1.36 1.058 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 173.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.33 137.32 38.79 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 -174.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 28.4 m -124.49 140.53 52.86 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 124.606 1.162 . . . . 0.0 112.15 -177.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.2 pt . . . . . 0 C--N 1.367 1.331 0 O-C-N 120.599 -1.313 . . . . 0.0 109.039 172.602 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.477 0.18 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.95 -37.89 83.94 Favored 'General case' 0 C--N 1.378 1.844 0 C-N-CA 127.233 2.213 . . . . 0.0 113.375 175.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.9 p -58.66 -47.78 83.32 Favored 'General case' 0 C--N 1.366 1.306 0 C-N-CA 126.533 1.933 . . . . 0.0 114.105 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.428 16.1 ptm180 -72.85 -36.51 67.46 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 128.858 2.863 . . . . 0.0 115.124 169.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.14 -23.6 5.71 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 126.461 1.904 . . . . 0.0 113.919 169.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.439 HD12 HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -61.61 -32.87 73.02 Favored 'General case' 0 C--N 1.37 1.495 0 N-CA-C 115.96 1.837 . . . . 0.0 115.96 164.198 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.419 ' N ' HD13 ' A' ' 10' ' ' LEU 0.263 5.2 tp60 -70.61 -37.76 73.89 Favored 'General case' 0 C--N 1.372 1.548 0 C-N-CA 126.926 2.09 . . . . 0.0 109.818 173.686 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.03 -32.6 74.16 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 167.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.53 -34.15 67.37 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 119.676 -1.89 . . . . 0.0 113.129 170.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.4 m -70.91 -37.23 72.94 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.935 2.494 . . . . 0.0 110.795 172.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.12 -31.41 44.55 Favored 'Isoleucine or valine' 0 C--N 1.364 1.229 0 O-C-N 119.45 -2.031 . . . . 0.0 111.935 171.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -70.56 -29.55 66.03 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 124.722 1.209 . . . . 0.0 112.539 169.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.452 HD21 ' HA ' ' A' ' 90' ' ' LEU . 3.5 t30 -62.01 -45.43 93.64 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 126.925 2.09 . . . . 0.0 111.073 166.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.52 -34.48 74.17 Favored 'General case' 0 C--N 1.364 1.239 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 171.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -77.33 -22.86 51.2 Favored 'General case' 0 C--N 1.367 1.341 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 169.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.3 m -82.0 -31.59 31.0 Favored 'General case' 0 C--N 1.37 1.475 0 C-N-CA 125.559 1.544 . . . . 0.0 112.612 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -72.38 96.12 1.84 Allowed 'General case' 0 C--N 1.358 0.96 0 C-N-CA 126.732 2.013 . . . . 0.0 113.43 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.309 5.8 pt20 -40.44 -46.85 6.12 Favored Pre-proline 0 C--N 1.366 1.296 0 N-CA-C 120.204 3.409 . . . . 0.0 120.204 -177.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -66.32 -28.21 47.25 Favored 'Trans proline' 0 C--N 1.361 1.228 0 CA-C-N 127.715 3.791 . . . . 0.0 116.271 168.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.608 0.4 OUTLIER -82.51 -20.79 36.02 Favored 'General case' 0 C--N 1.387 2.199 0 CA-C-N 123.656 2.935 . . . . 0.0 114.133 -173.271 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 50.6 mmm -63.87 -27.95 69.51 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 129.817 3.247 . . . . 0.0 113.821 170.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -83.92 -28.18 28.06 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 127.171 2.188 . . . . 0.0 112.211 174.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 18.5 mmt -87.49 -46.29 9.73 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 126.462 1.905 . . . . 0.0 112.68 178.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.433 HG13 HG21 ' A' ' 82' ' ' ILE . 9.4 m -122.69 140.91 45.04 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 N-CA-C 100.724 -3.806 . . . . 0.0 100.724 169.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -104.32 -24.64 13.07 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 125.862 2.744 . . . . 0.0 112.201 175.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.421 ' HB3' ' HB2' ' A' ' 43' ' ' TYR 0.257 2.0 mm100 -97.51 38.17 1.3 Allowed 'General case' 0 N--CA 1.43 -1.438 1 C-N-CA 136.95 6.1 . . . . 0.0 112.475 -169.496 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.5 p -87.38 107.73 17.47 Favored 'Isoleucine or valine' 0 C--N 1.357 0.916 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.2 t -132.86 156.19 47.63 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 123.304 1.526 . . . . 0.0 112.193 -168.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -98.34 -22.47 16.08 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.889 2.075 . . . . 0.0 113.518 -176.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.283 14.4 m -156.66 -73.05 0.02 OUTLIER Pre-proline 0 CA--C 1.509 -0.623 0 CA-C-O 115.028 -2.415 . . . . 0.0 108.274 178.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -72.48 138.23 29.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 124.264 3.309 . . . . 0.0 114.215 -177.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 118.58 10.02 8.86 Favored Glycine 0 C--N 1.359 1.829 0 O-C-N 121.216 -0.928 . . . . 0.0 111.772 171.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -17.95 61.88 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 126.644 1.978 . . . . 0.0 115.843 -174.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -100.96 15.58 28.16 Favored 'General case' 0 C--N 1.364 1.199 0 C-N-CA 128.505 2.722 . . . . 0.0 112.253 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -88.12 154.52 52.12 Favored Pre-proline 0 C--N 1.367 1.341 0 C-N-CA 125.66 1.584 . . . . 0.0 110.095 176.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.96 148.8 25.27 Favored 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 123.875 3.05 . . . . 0.0 116.055 -169.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -61.62 135.11 94.01 Favored Pre-proline 0 C--N 1.365 1.24 1 C-N-CA 131.944 4.098 . . . . 0.0 116.107 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -80.44 148.63 77.36 Favored 'Cis proline' 0 C--N 1.355 0.898 0 CA-C-N 123.945 2.445 . . . . 0.0 115.288 5.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.421 ' HB2' ' HB3' ' A' ' 30' ' ' GLN . 18.8 p90 -172.63 168.65 5.2 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 124.427 1.091 . . . . 0.0 112.915 177.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.5 t -128.66 138.17 55.33 Favored 'Isoleucine or valine' 0 C--N 1.391 2.401 0 CA-C-O 122.391 1.091 . . . . 0.0 111.85 177.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.464 HG22 ' CH2' ' A' ' 71' ' ' TRP . 26.3 m -126.08 152.19 33.11 Favored 'Isoleucine or valine' 0 C--N 1.36 1.064 0 O-C-N 121.083 -1.011 . . . . 0.0 108.959 174.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 46' ' ' ILE . 37.4 mm -88.98 139.1 17.92 Favored 'Isoleucine or valine' 0 C--N 1.371 1.539 0 C-N-CA 125.342 1.457 . . . . 0.0 107.853 167.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.81 -154.17 6.5 Favored Glycine 0 C--N 1.35 1.349 0 N-CA-C 106.743 -2.543 . . . . 0.0 106.743 174.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -146.57 145.19 30.02 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 175.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 . . . . . 0 C--N 1.361 1.099 0 C-N-CA 124.938 1.295 . . . . 0.0 108.009 -177.268 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.9 m120 . . . . . 0 CA--C 1.517 -0.326 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.439 HG21 HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -108.45 127.68 64.64 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 103.699 -2.704 . . . . 0.0 103.699 178.865 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.8 p -127.39 117.17 21.66 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 177.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . 0.313 1.2 ttt -155.11 162.26 41.05 Favored 'General case' 0 C--N 1.372 1.578 0 CA-C-N 120.682 1.583 . . . . 0.0 114.796 -177.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -131.13 151.88 50.99 Favored 'General case' 0 C--N 1.367 1.33 0 CA-C-O 122.555 1.169 . . . . 0.0 112.927 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.296 0.0 OUTLIER -124.34 130.93 53.38 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 128.03 2.532 . . . . 0.0 104.995 167.757 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -112.5 119.12 37.12 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 102.82 -3.029 . . . . 0.0 102.82 -174.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.79 117.33 50.77 Favored 'Isoleucine or valine' 0 C--N 1.364 1.232 0 N-CA-C 103.695 -2.706 . . . . 0.0 103.695 -170.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.464 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -130.49 131.99 45.41 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 115.796 -2.362 . . . . 0.0 107.554 -176.777 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.32 145.17 16.15 Favored Glycine 0 C--N 1.36 1.909 0 O-C-N 121.28 -0.887 . . . . 0.0 112.836 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -123.72 -178.73 15.52 Favored Glycine 0 C--N 1.349 1.259 0 N-CA-C 106.085 -2.806 . . . . 0.0 106.085 175.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.264 6.2 m 74.17 -61.37 0.5 Allowed 'General case' 0 C--N 1.356 0.851 0 C-N-CA 127.697 2.399 . . . . 0.0 114.591 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.6 p -131.67 157.2 44.36 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 125.032 1.333 . . . . 0.0 108.201 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.544 ' H ' ' HD2' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -66.59 -35.27 79.79 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 128.784 2.834 . . . . 0.0 114.153 175.181 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.83 -35.55 74.87 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 129.96 3.304 . . . . 0.0 113.867 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -62.35 -36.12 81.24 Favored 'General case' 0 C--N 1.366 1.288 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.37 75.67 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 127.862 2.465 . . . . 0.0 114.399 175.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -76.95 -40.86 45.49 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 128.344 2.658 . . . . 0.0 111.26 174.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -64.28 -48.79 74.36 Favored 'General case' 0 C--N 1.376 1.726 0 C-N-CA 127.006 2.122 . . . . 0.0 110.361 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.433 HG21 HG13 ' A' ' 28' ' ' VAL 0.343 4.2 pt -61.6 -37.92 79.04 Favored 'Isoleucine or valine' 0 C--N 1.373 1.622 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 172.515 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . 0.353 2.4 p -68.71 -49.66 57.1 Favored 'General case' 0 C--N 1.374 1.666 0 O-C-N 119.91 -1.744 . . . . 0.0 114.157 170.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.5 t -57.53 -41.7 81.44 Favored 'General case' 0 C--N 1.377 1.792 0 C-N-CA 128.264 2.626 . . . . 0.0 113.577 172.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -74.28 -31.58 62.58 Favored 'General case' 0 C--N 1.371 1.505 0 C-N-CA 125.799 1.64 . . . . 0.0 113.262 173.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.254 1.2 t -63.59 -47.07 93.06 Favored 'Isoleucine or valine' 0 C--N 1.383 2.051 0 CA-C-N 121.876 2.126 . . . . 0.0 111.599 172.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.69 -43.27 99.25 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 125.92 1.688 . . . . 0.0 112.866 176.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 52.4 tt0 -61.33 -33.73 74.09 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 125.961 1.704 . . . . 0.0 113.416 170.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.17 -50.83 29.1 Favored 'General case' 0 C--N 1.377 1.766 0 C-N-CA 127.824 2.449 . . . . 0.0 112.192 171.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.452 ' HA ' HD21 ' A' ' 17' ' ' ASN . 67.6 mt -51.26 -26.44 7.25 Favored 'General case' 0 C--N 1.383 2.03 0 C-N-CA 128.522 2.729 . . . . 0.0 116.048 175.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 1.274 0.1 OUTLIER -111.45 12.91 21.47 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 120.361 3.467 . . . . 0.0 120.361 162.485 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -91.83 -50.58 5.65 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 120.732 -1.23 . . . . 0.0 109.807 175.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.45 139.31 20.2 Favored Pre-proline 0 C--N 1.366 1.322 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.55 149.57 21.32 Favored 'Trans proline' 0 C--N 1.363 1.334 0 C-N-CA 124.895 3.73 . . . . 0.0 111.16 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.4 mt -92.9 109.03 20.47 Favored 'General case' 0 C--N 1.363 1.176 0 CA-C-O 123.34 1.543 . . . . 0.0 114.931 -172.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 26.9 ttm -143.8 139.35 29.31 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 124.607 1.163 . . . . 0.0 110.269 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -123.4 107.64 11.84 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . 0.347 11.3 pt-20 55.93 16.64 2.2 Favored 'General case' 0 C--N 1.357 0.896 1 C-N-CA 134.431 5.092 . . . . 0.0 117.526 176.762 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 122.25 -10.25 9.37 Favored Glycine 0 C--N 1.348 1.242 0 C-N-CA 126.602 2.048 . . . . 0.0 110.476 -175.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -93.18 126.97 38.56 Favored 'General case' 0 C--N 1.364 1.225 0 CA-C-N 119.026 1.413 . . . . 0.0 110.378 -178.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.0 m -102.49 140.52 36.65 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 124.962 1.305 . . . . 0.0 112.183 -175.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.423 ' CE1' ' HB2' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -134.74 143.68 47.29 Favored 'General case' 0 C--N 1.363 1.164 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 179.649 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.1 t -107.39 129.04 61.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 C-N-CA 125.826 1.65 . . . . 0.0 107.757 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.21 138.61 32.24 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 127.541 2.336 . . . . 0.0 114.745 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.1 tttm . . . . . 0 C--N 1.359 0.985 0 C-N-CA 127.688 2.395 . . . . 0.0 110.968 179.664 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.237 0.43 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -118.16 147.62 18.6 Favored Glycine 0 C--N 1.357 1.717 0 C-N-CA 124.721 1.153 . . . . 0.0 111.498 -174.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 16.2 tt -120.02 116.63 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 N-CA-C 103.333 -2.839 . . . . 0.0 103.333 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.0 mp -114.63 114.54 46.88 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 -177.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -108.89 136.76 47.91 Favored 'General case' 0 C--N 1.362 1.133 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 175.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 73.2 t -131.15 151.53 35.96 Favored 'Isoleucine or valine' 0 C--O 1.244 0.79 0 N-CA-C 104.223 -2.51 . . . . 0.0 104.223 175.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.22 140.06 50.36 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 103.588 -2.745 . . . . 0.0 103.588 173.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -126.25 147.32 49.71 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 103.403 -2.814 . . . . 0.0 103.403 -173.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 20.5 m -136.04 143.32 44.64 Favored 'General case' 0 CA--C 1.5 -0.978 0 O-C-N 120.334 -1.479 . . . . 0.0 108.033 -174.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 11.9 pt . . . . . 0 C--N 1.367 1.336 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 171.052 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.2 tp . . . . . 0 C--O 1.223 -0.298 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.09 -51.58 37.17 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 126.377 1.871 . . . . 0.0 113.679 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.44 ' O ' HD12 ' A' ' 10' ' ' LEU . 60.7 p -58.18 -47.39 83.56 Favored 'General case' 0 C--N 1.375 1.691 0 O-C-N 119.912 -1.742 . . . . 0.0 114.056 178.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.787 0.4 OUTLIER -61.7 -34.9 76.58 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 129.831 3.252 . . . . 0.0 115.574 168.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.61 -22.61 3.46 Favored 'General case' 0 CA--C 1.568 1.638 0 O-C-N 118.293 -2.754 . . . . 0.0 114.269 163.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.66 HD22 HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -55.72 -32.54 63.43 Favored 'General case' 0 N--CA 1.509 2.518 0 N-CA-C 117.461 2.393 . . . . 0.0 117.461 161.066 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.495 ' N ' HD13 ' A' ' 10' ' ' LEU 0.255 0.1 OUTLIER -70.2 -37.35 75.08 Favored 'General case' 0 C--N 1.375 1.676 0 C-N-CA 130.462 3.505 . . . . 0.0 110.408 173.076 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -63.05 -36.6 84.11 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 170.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.08 -32.63 67.22 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 125.91 1.684 . . . . 0.0 112.986 170.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 m -68.42 -42.12 79.41 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 128.022 2.529 . . . . 0.0 112.217 172.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.4 29.2 m -70.37 -30.58 43.64 Favored 'Isoleucine or valine' 0 C--N 1.385 2.152 0 O-C-N 119.637 -1.914 . . . . 0.0 112.181 169.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.427 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 30.9 tt0 -70.07 -35.44 74.22 Favored 'General case' 0 C--N 1.378 1.839 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 170.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . 0.447 8.4 p30 -70.43 -34.31 72.33 Favored 'General case' 0 C--N 1.369 1.447 0 O-C-N 120.196 -1.565 . . . . 0.0 113.728 170.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.68 -40.4 95.34 Favored 'General case' 0 C--N 1.376 1.739 0 C-N-CA 125.45 1.5 . . . . 0.0 113.218 168.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.427 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 8.4 pt-20 -84.61 -24.14 29.26 Favored 'General case' 0 C--N 1.376 1.727 0 CA-C-N 119.949 1.249 . . . . 0.0 114.298 177.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 t -78.75 -32.84 46.82 Favored 'General case' 0 C--N 1.374 1.672 0 CA-C-N 120.087 1.312 . . . . 0.0 111.131 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.415 ' CD2' ' HB2' ' A' ' 89' ' ' ALA . 20.6 t80 -70.01 97.18 1.12 Allowed 'General case' 0 C--N 1.364 1.232 0 C-N-CA 126.446 1.899 . . . . 0.0 114.479 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.336 6.0 pt20 -40.65 -43.05 3.85 Favored Pre-proline 0 C--N 1.362 1.143 0 N-CA-C 120.778 3.621 . . . . 0.0 120.778 -177.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -66.12 -28.34 48.77 Favored 'Trans proline' 0 CA--C 1.549 1.251 0 C-N-CA 124.567 3.512 . . . . 0.0 116.567 168.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.567 ' HG ' HH11 ' A' ' 85' ' ' ARG . 4.3 tt -79.41 -37.76 36.4 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 125.705 1.602 . . . . 0.0 113.947 -170.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.6 ptm -63.97 -28.5 69.86 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 128.5 2.72 . . . . 0.0 114.823 176.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -85.94 -12.39 50.65 Favored 'General case' 0 C--N 1.361 1.098 0 C-N-CA 126.34 1.856 . . . . 0.0 112.08 173.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 18.9 tpp -102.63 -27.8 12.52 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 127.657 2.383 . . . . 0.0 115.781 -176.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.547 HG21 HG12 ' A' ' 44' ' ' VAL 0.252 0.6 OUTLIER -121.54 145.59 27.9 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 -177.324 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -102.76 -11.63 18.2 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 119.706 -1.871 . . . . 0.0 112.073 173.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.539 ' HB2' ' HB2' ' A' ' 43' ' ' TYR 0.649 32.9 mm-40 -136.36 40.17 2.65 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 120.367 3.469 . . . . 0.0 120.367 -152.668 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.423 ' HA ' HG13 ' A' ' 44' ' ' VAL . 3.6 p -86.6 108.79 18.19 Favored 'Isoleucine or valine' 0 C--N 1.373 1.618 0 CA-C-O 125.607 2.622 . . . . 0.0 108.222 177.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.6 t -146.04 170.91 15.71 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 110.884 -2.871 . . . . 0.0 108.822 -170.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.51 5.4 10.63 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 126.734 2.014 . . . . 0.0 109.565 177.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.2 m -120.43 153.75 56.3 Favored Pre-proline 0 C--N 1.36 1.04 0 C-N-CA 125.827 1.651 . . . . 0.0 107.977 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -63.88 165.14 19.56 Favored 'Trans proline' 0 C--N 1.371 1.712 1 C-N-CA 126.579 4.853 . . . . 0.0 119.069 -174.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.47 49.55 0.04 OUTLIER Glycine 0 C--N 1.377 2.845 0 CA-C-O 121.381 0.434 . . . . 0.0 113.576 -175.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.675 ' H ' ' HD2' ' A' ' 37' ' ' LYS . 2.2 mptt -62.1 -17.24 57.01 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 129.518 3.127 . . . . 0.0 116.375 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -94.92 -2.74 49.97 Favored 'General case' 0 N--CA 1.441 -0.892 1 C-N-CA 132.853 4.461 . . . . 0.0 113.125 179.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -90.11 167.1 17.78 Favored Pre-proline 0 C--N 1.366 1.286 0 C-N-CA 125.361 1.464 . . . . 0.0 109.996 176.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -68.37 143.34 57.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 C-N-CA 124.086 3.191 . . . . 0.0 115.154 -176.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -97.86 141.72 23.43 Favored Pre-proline 0 C--N 1.361 1.107 0 C-N-CA 126.859 2.063 . . . . 0.0 109.092 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -81.25 149.41 75.33 Favored 'Cis proline' 0 C--N 1.359 1.121 0 CA-C-N 122.848 2.053 . . . . 0.0 112.846 0.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.539 ' HB2' ' HB2' ' A' ' 30' ' ' GLN . 6.3 p90 -156.29 167.25 31.02 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 124.976 1.31 . . . . 0.0 113.032 -176.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.547 HG12 HG21 ' A' ' 28' ' ' VAL . 9.8 p -135.28 137.89 49.4 Favored 'Isoleucine or valine' 0 C--N 1.402 2.884 0 CA-C-O 125.971 2.796 . . . . 0.0 118.112 -175.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.4 ' HB ' ' CH2' ' A' ' 71' ' ' TRP . 1.0 OUTLIER -117.05 130.77 71.42 Favored 'Isoleucine or valine' 0 C--N 1.362 1.147 0 C-N-CA 128.536 2.735 . . . . 0.0 109.196 173.208 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.3 mt -108.52 136.56 43.79 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 C-N-CA 125.566 1.546 . . . . 0.0 107.833 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -167.07 -133.06 1.47 Allowed Glycine 0 C--N 1.353 1.519 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -146.34 162.71 37.56 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 126.27 1.828 . . . . 0.0 106.477 176.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.366 1.283 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 171.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.7 m120 . . . . . 0 C--O 1.235 0.303 0 N-CA-C 102.643 -3.095 . . . . 0.0 102.643 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.6 tp -142.72 122.48 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 N-CA-C 102.009 -3.33 . . . . 0.0 102.009 -174.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.7 m -113.73 135.91 53.42 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 125.207 1.403 . . . . 0.0 107.522 -177.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 mtp -131.53 152.12 51.01 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 125.786 1.634 . . . . 0.0 109.405 -178.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -147.8 139.74 24.1 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 170.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -111.19 129.4 55.96 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 104.09 -2.559 . . . . 0.0 104.09 173.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -121.66 118.63 29.64 Favored 'General case' 0 CA--C 1.493 -1.244 0 N-CA-C 104.818 -2.29 . . . . 0.0 104.818 176.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -122.41 134.43 65.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 -174.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.4 ' CH2' ' HB ' ' A' ' 45' ' ' VAL . 2.8 m-90 -123.84 114.72 20.24 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 119.341 -0.944 . . . . 0.0 108.562 176.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.01 173.69 15.05 Favored Glycine 0 C--N 1.359 1.819 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 175.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -139.61 145.84 17.12 Favored Glycine 0 C--N 1.348 1.219 0 N-CA-C 106.124 -2.791 . . . . 0.0 106.124 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.287 87.1 m 143.89 -70.92 0.0 OUTLIER 'General case' 0 C--N 1.354 0.779 0 C-N-CA 130.281 3.433 . . . . 0.0 107.149 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.1 m -162.34 170.46 18.85 Favored 'General case' 0 C--N 1.362 1.131 0 O-C-N 119.354 -2.091 . . . . 0.0 106.337 -178.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -55.38 -34.82 64.67 Favored 'General case' 0 C--N 1.366 1.308 1 C-N-CA 132.552 4.341 . . . . 0.0 114.323 173.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.76 -35.32 61.15 Favored 'General case' 0 C--N 1.372 1.565 0 C-N-CA 130.114 3.366 . . . . 0.0 114.149 175.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -58.45 -32.24 68.53 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 129.351 3.06 . . . . 0.0 114.012 173.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.05 -30.75 71.85 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 126.618 1.967 . . . . 0.0 114.123 175.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -74.24 -43.01 58.76 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 128.58 2.752 . . . . 0.0 111.182 174.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -67.34 -48.22 68.14 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 129.112 2.965 . . . . 0.0 115.583 174.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.435 HG22 ' HE ' ' A' ' 85' ' ' ARG . 5.7 pt -69.68 -38.36 76.13 Favored 'Isoleucine or valine' 0 C--N 1.374 1.657 0 C-N-CA 125.875 1.67 . . . . 0.0 112.97 177.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.6 m -66.19 -38.43 88.0 Favored 'General case' 0 C--N 1.378 1.811 0 C-N-CA 125.202 1.401 . . . . 0.0 111.384 173.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.5 m -61.59 -45.71 92.97 Favored 'General case' 0 C--N 1.377 1.777 0 C-N-CA 127.036 2.134 . . . . 0.0 113.634 172.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.567 HH11 ' HG ' ' A' ' 24' ' ' LEU 0.321 33.6 ptt85 -65.88 -46.08 79.72 Favored 'General case' 0 C--N 1.379 1.864 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 174.71 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.271 33.3 m -61.64 -38.68 80.86 Favored 'Isoleucine or valine' 0 C--N 1.385 2.115 0 CA-C-N 120.773 1.624 . . . . 0.0 114.657 174.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.55 -46.61 59.02 Favored 'General case' 0 C--N 1.373 1.598 0 C-N-CA 129.256 3.022 . . . . 0.0 113.916 174.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -66.64 -33.66 76.14 Favored 'General case' 0 C--N 1.376 1.725 0 O-C-N 119.749 -1.844 . . . . 0.0 113.951 174.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.415 ' HB2' ' CD2' ' A' ' 21' ' ' TYR . . . -65.23 -49.6 69.05 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 126.306 1.842 . . . . 0.0 111.088 168.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.258 3.4 tt -49.77 -41.44 44.18 Favored 'General case' 0 C--N 1.373 1.602 0 C-N-CA 128.832 2.853 . . . . 0.0 116.184 177.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.355 0.2 OUTLIER -104.71 9.39 35.09 Favored 'General case' 0 C--N 1.365 1.246 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 170.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.28 -52.05 11.79 Favored 'General case' 0 C--N 1.367 1.367 0 O-C-N 119.713 -1.867 . . . . 0.0 106.938 176.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.31 0.0 OUTLIER -121.5 104.44 40.01 Favored Pre-proline 0 C--N 1.352 0.682 0 N-CA-C 103.734 -2.691 . . . . 0.0 103.734 171.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.17 156.94 51.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 123.547 2.831 . . . . 0.0 114.326 -167.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.66 HD13 HD22 ' A' ' 10' ' ' LEU . 5.0 mt -67.52 108.41 2.83 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 127.618 2.367 . . . . 0.0 114.936 -174.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 52.4 ttm -144.3 140.57 29.25 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 120.666 -1.271 . . . . 0.0 112.254 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -135.17 108.37 7.73 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 175.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 66.87 18.1 10.6 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 129.961 3.305 . . . . 0.0 115.817 173.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 102.67 -5.78 51.59 Favored Glycine 0 C--N 1.351 1.402 0 C-N-CA 125.698 1.618 . . . . 0.0 111.141 -171.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -87.49 129.43 35.07 Favored 'General case' 0 C--N 1.367 1.367 0 O-C-N 120.638 -1.507 . . . . 0.0 108.625 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.4 p -102.86 150.06 23.88 Favored 'General case' 0 C--N 1.363 1.157 0 CA-C-O 123.557 1.646 . . . . 0.0 112.91 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 10' ' ' LEU . 13.1 m-85 -122.82 115.62 22.32 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 101.378 -3.564 . . . . 0.0 101.378 177.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 81.5 t -106.45 128.11 61.27 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.73 0 C-N-CA 130.008 3.323 . . . . 0.0 105.967 -171.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.21 137.57 35.86 Favored 'General case' 0 C--N 1.363 1.17 0 N-CA-C 116.979 2.214 . . . . 0.0 116.979 -170.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt . . . . . 0 C--N 1.355 0.836 0 C-N-CA 127.232 2.213 . . . . 0.0 107.148 175.475 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 110.839 -0.06 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -108.48 118.78 5.46 Favored Glycine 0 C--N 1.355 1.638 0 N-CA-C 108.351 -1.9 . . . . 0.0 108.351 162.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.73 112.36 39.39 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 N-CA-C 101.209 -3.626 . . . . 0.0 101.209 172.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.6 mp -117.55 113.7 43.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 C-N-CA 126.429 1.892 . . . . 0.0 107.113 -175.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -105.86 138.77 41.49 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 124.802 1.241 . . . . 0.0 111.109 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 1.6 m -144.67 150.08 16.62 Favored 'Isoleucine or valine' 0 C--N 1.361 1.084 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 175.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -117.67 140.23 49.94 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -126.58 150.58 48.77 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 105.642 -1.984 . . . . 0.0 105.642 -178.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 95.8 m -127.63 143.3 51.17 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.9 pt . . . . . 0 C--N 1.361 1.105 0 C-N-CA 130.714 3.606 . . . . 0.0 113.864 -173.785 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 121.108 0.48 . . . . 0.0 111.4 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.9 -33.75 69.08 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 128.063 2.545 . . . . 0.0 114.355 173.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.7 m -62.44 -46.68 87.43 Favored 'General case' 0 C--N 1.373 1.615 0 CA-C-O 123.583 1.658 . . . . 0.0 113.304 172.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' A' ' 11' ' ' GLN 0.619 15.3 ptp180 -74.12 -38.04 63.92 Favored 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 130.043 3.337 . . . . 0.0 116.528 171.461 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.2 -23.88 64.35 Favored 'General case' 0 C--N 1.371 1.521 0 O-C-N 116.444 -3.91 . . . . 0.0 112.793 167.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.502 HD22 ' CZ ' ' A' ' 102' ' ' PHE 0.258 0.5 OUTLIER -65.76 -29.14 69.6 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 127.2 2.2 . . . . 0.0 111.76 163.288 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 8' ' ' ARG 0.408 2.2 pp0? -66.04 -38.05 87.39 Favored 'General case' 0 C--N 1.383 2.033 0 CA-C-N 122.702 2.501 . . . . 0.0 111.755 170.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.336 0.0 OUTLIER -67.4 -29.67 69.24 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 165.822 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.65 -41.62 71.89 Favored 'General case' 0 C--N 1.361 1.095 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 171.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.438 HG23 HD12 ' A' ' 95' ' ' LEU . 5.8 m -69.59 -30.35 68.09 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 127.264 2.226 . . . . 0.0 111.484 172.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.12 -35.32 52.92 Favored 'Isoleucine or valine' 0 C--N 1.371 1.54 0 O-C-N 119.657 -1.902 . . . . 0.0 112.385 167.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -70.33 -30.32 67.26 Favored 'General case' 0 C--N 1.367 1.336 0 CA-C-O 122.926 1.346 . . . . 0.0 112.397 174.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -43.91 97.8 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 128.565 2.746 . . . . 0.0 112.77 167.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 mp -59.76 -38.77 82.73 Favored 'General case' 0 C--N 1.376 1.729 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 168.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -27.02 64.48 Favored 'General case' 0 C--N 1.369 1.451 0 C-N-CA 127.579 2.352 . . . . 0.0 113.792 171.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 t -76.92 -35.01 57.64 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 125.922 1.689 . . . . 0.0 112.435 176.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -72.49 94.64 1.69 Allowed 'General case' 0 C--N 1.364 1.197 0 CA-C-O 123.069 1.414 . . . . 0.0 113.734 178.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.394 6.1 pt20 -40.62 -49.37 7.16 Favored Pre-proline 0 C--N 1.366 1.284 0 N-CA-C 120.789 3.625 . . . . 0.0 120.789 -173.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -65.95 -20.51 57.7 Favored 'Trans proline' 0 CA--C 1.551 1.326 0 CA-C-N 127.961 3.879 . . . . 0.0 116.212 169.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.38 -33.04 49.12 Favored 'General case' 0 C--N 1.371 1.509 0 CA-C-N 122.172 2.26 . . . . 0.0 112.026 -175.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 59.7 mmm -57.12 -27.55 61.92 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 130.872 3.669 . . . . 0.0 114.964 167.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -82.75 -32.67 27.73 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 126.35 1.86 . . . . 0.0 112.518 172.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 61.0 mtt -81.65 -41.13 21.87 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 126.253 1.821 . . . . 0.0 113.497 177.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.478 HG23 ' HA ' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -122.91 143.56 35.41 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 N-CA-C 103.309 -2.849 . . . . 0.0 103.309 172.312 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -101.82 -34.97 9.21 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 129.041 2.936 . . . . 0.0 111.565 174.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -97.33 37.96 1.3 Allowed 'General case' 0 N--CA 1.436 -1.172 1 C-N-CA 137.176 6.19 . . . . 0.0 112.986 -166.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 p -88.17 108.36 18.53 Favored 'Isoleucine or valine' 0 C--N 1.368 1.379 0 CA-C-O 123.781 1.753 . . . . 0.0 107.676 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.6 t -140.48 154.38 46.58 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 113.822 -1.536 . . . . 0.0 112.311 -168.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.65 43.06 0.81 Allowed 'General case' 0 C--N 1.356 0.873 0 C-N-CA 128.261 2.625 . . . . 0.0 115.401 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.411 63.9 m 118.74 -71.11 0.0 OUTLIER Pre-proline 0 C--N 1.358 0.939 0 C-N-CA 129.403 3.081 . . . . 0.0 112.944 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -72.67 138.26 28.89 Favored 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 124.212 3.274 . . . . 0.0 114.026 -173.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 128.61 -12.07 6.28 Favored Glycine 0 C--N 1.358 1.786 0 CA-C-O 123.062 1.368 . . . . 0.0 109.726 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -13.99 24.72 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 130.924 3.689 . . . . 0.0 116.568 -177.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -91.49 -1.66 57.47 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 127.886 2.475 . . . . 0.0 111.774 176.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -95.01 160.57 30.66 Favored Pre-proline 0 C--N 1.362 1.128 0 O-C-N 120.538 -1.351 . . . . 0.0 109.01 175.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -77.98 162.82 28.9 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 124.084 3.189 . . . . 0.0 115.284 -174.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 71' ' ' TRP . 2.4 m-30 -76.17 160.42 78.13 Favored Pre-proline 0 CA--C 1.56 1.358 0 C-N-CA 129.056 2.942 . . . . 0.0 113.634 -179.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -77.38 146.84 83.74 Favored 'Cis proline' 0 C--N 1.362 1.251 0 CA-C-N 122.037 1.763 . . . . 0.0 112.426 -0.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.478 ' HA ' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -172.81 168.91 4.98 Favored 'General case' 0 CA--C 1.558 1.261 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 -171.405 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.3 t -137.26 130.04 43.48 Favored 'Isoleucine or valine' 0 C--N 1.392 2.426 0 CA-C-O 123.361 1.553 . . . . 0.0 111.897 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.534 HG22 ' CH2' ' A' ' 71' ' ' TRP . 5.0 m -121.3 146.04 26.93 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 O-C-N 120.543 -1.348 . . . . 0.0 110.278 170.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.2 mm -88.52 140.16 16.24 Favored 'Isoleucine or valine' 0 C--N 1.367 1.338 0 C-N-CA 125.928 1.691 . . . . 0.0 109.217 169.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -143.59 -150.56 5.3 Favored Glycine 0 C--N 1.352 1.417 0 N-CA-C 107.306 -2.318 . . . . 0.0 107.306 168.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -146.21 132.87 19.89 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 100.808 -3.775 . . . . 0.0 100.808 175.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? . . . . . 0 C--N 1.356 0.849 0 CA-C-N 120.3 1.409 . . . . 0.0 107.436 -175.536 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 122.361 1.077 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 mp -112.25 130.21 66.36 Favored 'Isoleucine or valine' 0 C--N 1.361 1.069 0 C-N-CA 130.418 3.487 . . . . 0.0 102.825 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 t -131.04 136.43 48.45 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 101.41 -3.552 . . . . 0.0 101.41 172.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 37.2 ttm -147.66 145.79 29.06 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 124.483 1.113 . . . . 0.0 108.519 -171.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.67 146.48 41.66 Favored 'General case' 0 CA--C 1.492 -1.284 0 CA-C-O 123.226 1.489 . . . . 0.0 108.334 175.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.525 ' CZ ' HD21 ' A' ' 90' ' ' LEU 0.358 0.0 OUTLIER -129.44 136.75 50.32 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 103.657 -2.72 . . . . 0.0 103.657 174.173 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.462 ' ND1' HD13 ' A' ' 124' ' ' ILE . 44.8 m-70 -111.7 117.79 33.84 Favored 'General case' 0 C--N 1.357 0.917 1 N-CA-C 98.952 -4.462 . . . . 0.0 98.952 -175.56 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.4 t -122.57 111.29 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.166 0 N-CA-C 103.247 -2.872 . . . . 0.0 103.247 -167.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.534 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -130.75 138.49 49.99 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 117.562 -1.655 . . . . 0.0 108.897 -173.859 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -147.49 166.63 28.65 Favored Glycine 0 CA--C 1.485 -1.824 0 CA-C-O 123.115 1.397 . . . . 0.0 113.036 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -174.5 112.13 0.39 Allowed Glycine 0 CA--C 1.49 -1.515 0 N-CA-C 104.064 -3.614 . . . . 0.0 104.064 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.2 m -167.75 -51.02 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 -175.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 m -143.57 155.54 44.32 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 102.803 -3.036 . . . . 0.0 102.803 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -62.84 -35.66 80.67 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 129.079 2.951 . . . . 0.0 115.775 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.04 -35.43 64.33 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 130.703 3.601 . . . . 0.0 113.174 176.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.269 21.8 tt0 -58.66 -36.42 74.11 Favored 'General case' 0 C--N 1.366 1.308 0 N-CA-C 117.664 2.468 . . . . 0.0 117.664 -174.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.32 92.87 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 126.7 2.0 . . . . 0.0 114.186 173.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -77.12 -32.16 56.28 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 128.268 2.627 . . . . 0.0 110.591 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -66.93 -50.05 63.59 Favored 'General case' 0 C--N 1.371 1.513 0 C-N-CA 125.86 1.664 . . . . 0.0 112.398 169.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.269 17.8 pt -58.3 -38.18 67.49 Favored 'Isoleucine or valine' 0 C--N 1.38 1.9 0 CA-C-N 121.438 1.926 . . . . 0.0 113.782 174.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.1 m -65.25 -49.84 68.07 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 127.409 2.284 . . . . 0.0 114.63 174.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.2 m -70.54 -35.97 73.44 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 128.405 2.682 . . . . 0.0 113.258 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 84.7 mmt-85 -76.17 -33.46 59.34 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 127.726 2.41 . . . . 0.0 111.931 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.56 -47.59 88.47 Favored 'Isoleucine or valine' 0 C--N 1.384 2.085 0 C-N-CA 126.286 1.834 . . . . 0.0 110.634 168.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.08 -50.04 73.56 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 128.175 2.59 . . . . 0.0 114.819 176.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.07 -38.2 82.14 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 128.116 2.567 . . . . 0.0 111.405 172.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.45 98.87 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 126.058 1.743 . . . . 0.0 113.88 168.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.525 HD21 ' CZ ' ' A' ' 68' ' ' PHE . 39.8 mt -57.12 -29.63 63.71 Favored 'General case' 0 C--N 1.389 2.324 0 C-N-CA 127.393 2.277 . . . . 0.0 114.252 174.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 1.014 0.2 OUTLIER -115.78 10.96 15.5 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 119.858 3.281 . . . . 0.0 119.858 168.432 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.46 -49.72 11.03 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 126.401 1.88 . . . . 0.0 107.464 170.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -108.69 148.92 38.74 Favored Pre-proline 0 C--N 1.358 0.969 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -79.19 159.21 26.62 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 124.64 3.56 . . . . 0.0 111.579 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.438 HD12 HG23 ' A' ' 14' ' ' THR . 0.1 OUTLIER -96.78 107.45 19.93 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 3.8 mtp -143.83 141.04 30.15 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.436 1.494 . . . . 0.0 110.863 -174.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -131.57 107.56 8.94 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 103.407 -2.812 . . . . 0.0 103.407 173.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 73.52 25.27 2.13 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 130.003 3.321 . . . . 0.0 114.577 175.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.31 2.88 61.79 Favored Glycine 0 C--N 1.36 1.892 0 C-N-CA 125.708 1.623 . . . . 0.0 113.382 -177.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -100.09 124.63 45.7 Favored 'General case' 0 C--N 1.36 1.039 0 CA-C-N 117.58 0.69 . . . . 0.0 109.703 -176.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 m -98.13 139.13 34.39 Favored 'General case' 0 C--N 1.373 1.598 0 C-N-CA 124.602 1.161 . . . . 0.0 113.991 -173.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.502 ' CZ ' HD22 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -127.48 144.95 50.99 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 -179.35 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -106.0 124.24 61.1 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 C-N-CA 124.164 0.986 . . . . 0.0 109.734 -171.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.17 137.98 35.87 Favored 'General case' 0 C--N 1.362 1.115 0 C-N-CA 126.845 2.058 . . . . 0.0 113.326 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt . . . . . 0 C--N 1.353 0.738 0 N-CA-C 105.74 -1.948 . . . . 0.0 105.74 177.588 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 . . . . . 0 N--CA 1.436 -1.165 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.75 137.36 9.37 Favored Glycine 0 C--N 1.351 1.372 0 N-CA-C 108.68 -1.768 . . . . 0.0 108.68 176.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.462 HD13 ' ND1' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -111.29 122.87 66.53 Favored 'Isoleucine or valine' 0 C--N 1.361 1.081 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 175.841 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.3 mt -113.89 116.29 52.17 Favored 'Isoleucine or valine' 0 C--N 1.362 1.136 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 -177.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -108.63 140.22 42.31 Favored 'General case' 0 CA--C 1.488 -1.404 0 C-N-CA 125.615 1.566 . . . . 0.0 107.71 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . 0.281 3.5 p -141.94 144.57 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 0 CA-C-N 113.969 -1.469 . . . . 0.0 107.36 171.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -117.47 139.73 50.53 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 127.839 2.456 . . . . 0.0 104.473 178.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -131.9 140.46 49.07 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 103.988 -2.597 . . . . 0.0 103.988 -176.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 62.5 m -128.48 143.12 50.93 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 -176.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.2 pt . . . . . 0 C--N 1.354 0.801 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 176.105 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.0 tp . . . . . 0 CA--C 1.531 0.241 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.71 -36.27 82.1 Favored 'General case' 0 C--N 1.374 1.637 0 C-N-CA 125.385 1.474 . . . . 0.0 114.486 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.9 m -58.51 -47.2 84.92 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 127.541 2.336 . . . . 0.0 114.303 175.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.527 71.9 ttt180 -73.73 -37.88 64.97 Favored 'General case' 0 C--O 1.249 1.056 0 C-N-CA 127.591 2.356 . . . . 0.0 116.396 172.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.82 -23.77 54.22 Favored 'General case' 0 CA--C 1.557 1.238 0 O-C-N 118.743 -2.473 . . . . 0.0 114.495 168.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.63 HD23 ' CD1' ' A' ' 102' ' ' PHE 0.452 0.0 OUTLIER -63.42 -28.36 69.93 Favored 'General case' 0 C--N 1.376 1.76 0 O-C-N 119.267 -2.146 . . . . 0.0 114.707 164.04 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -69.71 -41.04 75.9 Favored 'General case' 0 C--N 1.377 1.781 0 C-N-CA 126.524 1.93 . . . . 0.0 109.502 175.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.321 0.0 OUTLIER -67.44 -29.89 69.48 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 166.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.01 -36.74 69.79 Favored 'General case' 0 C--N 1.365 1.279 0 O-C-N 119.833 -1.792 . . . . 0.0 112.749 172.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.314 6.8 m -70.39 -36.9 74.38 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 126.737 2.015 . . . . 0.0 111.455 174.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.07 -31.67 54.72 Favored 'Isoleucine or valine' 0 C--N 1.374 1.656 0 C-N-CA 125.517 1.527 . . . . 0.0 113.103 169.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -70.92 -30.21 66.48 Favored 'General case' 0 C--N 1.37 1.496 0 C-N-CA 124.488 1.115 . . . . 0.0 113.833 171.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -66.53 -43.59 84.77 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 126.402 1.881 . . . . 0.0 111.395 170.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.534 HD21 HD12 ' A' ' 90' ' ' LEU . 16.3 mt -59.18 -40.73 86.59 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 125.265 1.426 . . . . 0.0 114.459 170.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -24.29 57.05 Favored 'General case' 0 C--N 1.369 1.422 0 C-N-CA 124.391 1.076 . . . . 0.0 113.164 173.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -81.9 -20.98 37.67 Favored 'General case' 0 C--N 1.37 1.481 0 C-N-CA 125.346 1.458 . . . . 0.0 114.757 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -83.61 103.91 13.31 Favored 'General case' 0 C--N 1.366 1.313 0 CA-C-N 120.33 1.423 . . . . 0.0 114.793 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.461 ' HG2' ' HD3' ' A' ' 23' ' ' PRO 0.422 6.7 pm0 -41.03 -49.86 7.9 Favored Pre-proline 0 C--N 1.372 1.552 0 N-CA-C 119.161 3.023 . . . . 0.0 119.161 179.525 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.461 ' HD3' ' HG2' ' A' ' 22' ' ' GLN . 19.3 Cg_exo -65.99 -26.56 50.98 Favored 'Trans proline' 0 CA--C 1.545 1.036 0 C-N-CA 125.002 3.801 . . . . 0.0 115.564 170.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.91 -40.7 18.24 Favored 'General case' 0 C--N 1.369 1.433 0 CA-C-N 120.918 1.69 . . . . 0.0 111.567 -176.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . 0.276 0.1 OUTLIER -64.81 -27.79 69.12 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 126.229 1.812 . . . . 0.0 113.655 169.094 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -74.79 -21.88 59.06 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 125.116 1.366 . . . . 0.0 113.04 169.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -102.33 -18.63 15.34 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 127.038 2.135 . . . . 0.0 116.225 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.473 HG21 ' HB ' ' A' ' 31' ' ' VAL . 9.4 m -121.62 145.07 28.81 Favored 'Isoleucine or valine' 0 C--N 1.371 1.506 0 O-C-N 119.116 -2.24 . . . . 0.0 105.886 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -102.69 -12.0 17.99 Favored 'General case' 0 C--N 1.362 1.133 0 O-C-N 119.477 -2.015 . . . . 0.0 112.986 177.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.446 ' HB3' ' CB ' ' A' ' 43' ' ' TYR 0.644 3.2 tp-100 -136.77 39.45 2.59 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 129.824 3.25 . . . . 0.0 118.132 -161.615 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.473 ' HB ' HG21 ' A' ' 28' ' ' VAL . 5.8 p -85.44 109.25 18.08 Favored 'Isoleucine or valine' 0 C--N 1.366 1.319 0 CA-C-O 125.121 2.391 . . . . 0.0 107.808 176.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.5 t -146.43 168.87 20.11 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 111.871 -2.422 . . . . 0.0 111.464 -171.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -108.39 -11.37 15.19 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 127.188 2.195 . . . . 0.0 113.245 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.274 5.9 m -176.15 -71.02 0.0 OUTLIER Pre-proline 0 C--N 1.357 0.893 0 CA-C-O 116.454 -1.736 . . . . 0.0 108.831 179.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.81 136.27 27.43 Favored 'Trans proline' 0 C--N 1.362 1.278 0 CA-C-N 126.09 3.211 . . . . 0.0 110.984 -178.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.29 -18.83 41.31 Favored Glycine 0 C--N 1.35 1.334 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 -171.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.333 0.0 OUTLIER -49.94 -15.12 0.17 Allowed 'General case' 0 C--N 1.361 1.092 0 N-CA-C 120.336 3.458 . . . . 0.0 120.336 -178.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -106.12 11.47 31.35 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 128.085 2.554 . . . . 0.0 113.007 175.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.58 144.98 28.77 Favored Pre-proline 0 C--N 1.366 1.305 0 C-N-CA 125.509 1.523 . . . . 0.0 110.778 178.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.12 162.64 40.93 Favored 'Trans proline' 0 C--N 1.362 1.253 0 C-N-CA 125.2 3.933 . . . . 0.0 119.969 -163.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -70.22 140.05 87.72 Favored Pre-proline 0 C--N 1.362 1.15 1 C-N-CA 132.829 4.452 . . . . 0.0 116.379 -176.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -78.79 147.45 81.09 Favored 'Cis proline' 0 C--N 1.371 1.724 0 CA-C-N 120.989 1.389 . . . . 0.0 115.58 4.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.446 ' CB ' ' HB3' ' A' ' 30' ' ' GLN 0.26 16.7 p90 -166.72 168.87 13.96 Favored 'General case' 0 C--N 1.37 1.465 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -177.159 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.6 t -136.18 124.65 36.81 Favored 'Isoleucine or valine' 0 C--N 1.401 2.846 0 CA-C-O 123.225 1.488 . . . . 0.0 112.006 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.1 m -116.67 139.85 41.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 120.82 -1.175 . . . . 0.0 110.619 175.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.3 mm -75.51 140.41 17.42 Favored 'Isoleucine or valine' 0 C--N 1.375 1.699 0 C-N-CA 127.754 2.422 . . . . 0.0 109.191 169.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.51 -166.29 23.19 Favored Glycine 0 CA--C 1.488 -1.656 0 N-CA-C 108.565 -1.814 . . . . 0.0 108.565 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -145.69 121.21 10.38 Favored 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 105.844 -1.91 . . . . 0.0 105.844 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.353 0.753 0 C-N-CA 126.058 1.743 . . . . 0.0 106.79 -177.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 . . . . . 0 N--CA 1.443 -0.816 0 CA-C-O 124.039 1.876 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.604 HG21 HD11 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -111.01 121.65 64.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 C-N-CA 129.58 3.152 . . . . 0.0 103.162 -177.548 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.4 p -111.15 126.52 54.93 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.784 1.634 . . . . 0.0 108.035 177.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.9 ptt? -142.48 142.56 32.31 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-N 120.825 1.648 . . . . 0.0 113.3 177.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.48 154.25 38.07 Favored 'General case' 0 C--N 1.367 1.344 0 CA-C-O 124.66 2.171 . . . . 0.0 108.438 174.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.62 141.01 39.14 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 102.355 -3.202 . . . . 0.0 102.355 171.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -113.45 124.61 52.82 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 102.32 -3.215 . . . . 0.0 102.32 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -124.71 112.96 34.01 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.143 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 -168.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.99 130.26 35.47 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 117.143 -1.823 . . . . 0.0 110.981 -174.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -122.72 60.01 0.58 Allowed Glycine 0 C--N 1.369 2.382 0 N-CA-C 115.566 0.986 . . . . 0.0 115.566 -170.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -75.25 90.89 0.82 Allowed Glycine 0 C--N 1.355 1.638 0 C-N-CA 126.199 1.856 . . . . 0.0 113.309 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.6 m -169.31 -45.57 0.02 OUTLIER 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.9 m -160.42 151.16 18.64 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 102.821 -3.029 . . . . 0.0 102.821 175.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -62.38 -35.68 79.93 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.689 1.996 . . . . 0.0 115.545 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.75 -35.67 76.98 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 128.965 2.906 . . . . 0.0 115.127 174.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -62.09 -33.5 74.56 Favored 'General case' 0 C--N 1.369 1.438 0 C-N-CA 127.428 2.291 . . . . 0.0 114.207 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.11 -34.73 78.72 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 129.295 3.038 . . . . 0.0 114.31 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -77.7 -38.45 47.37 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 127.519 2.327 . . . . 0.0 111.421 175.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -66.69 -46.37 75.82 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 126.589 1.956 . . . . 0.0 111.882 172.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 23.9 pt -70.34 -39.27 76.39 Favored 'Isoleucine or valine' 0 C--N 1.369 1.456 0 O-C-N 119.881 -1.762 . . . . 0.0 114.164 175.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.6 p -68.67 -49.91 55.28 Favored 'General case' 0 C--N 1.372 1.57 0 CA-C-N 120.937 1.698 . . . . 0.0 114.519 175.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.2 m -61.29 -46.81 88.77 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 127.043 2.137 . . . . 0.0 114.085 175.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . 0.251 10.1 mpt_? -74.66 -29.47 61.26 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 124.349 1.06 . . . . 0.0 112.574 176.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.375 1.5 p -68.58 -44.88 82.46 Favored 'Isoleucine or valine' 0 C--N 1.385 2.113 0 CA-C-N 121.738 2.063 . . . . 0.0 113.813 173.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.437 HD11 HD13 ' A' ' 125' ' ' ILE . 10.7 mp -66.79 -37.96 85.59 Favored 'General case' 0 C--N 1.379 1.869 0 O-C-N 119.116 -2.24 . . . . 0.0 112.455 174.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 17.0 tp10 -61.65 -34.78 76.3 Favored 'General case' 0 C--N 1.378 1.812 0 CA-C-O 116.674 -1.631 . . . . 0.0 112.715 171.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.77 -46.03 73.21 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 127.826 2.45 . . . . 0.0 113.483 171.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.534 HD12 HD21 ' A' ' 18' ' ' LEU . 10.1 mp -48.4 -48.01 37.3 Favored 'General case' 0 C--N 1.39 2.348 0 C-N-CA 128.305 2.642 . . . . 0.0 114.018 176.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.789 0.2 OUTLIER -106.07 11.61 31.28 Favored 'General case' 0 C--N 1.368 1.397 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 174.243 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.437 ' HB3' ' O ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -79.5 -44.15 21.79 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 119.666 -1.897 . . . . 0.0 108.197 174.338 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.15 107.32 47.84 Favored Pre-proline 0 C--N 1.356 0.872 0 N-CA-C 100.207 -3.998 . . . . 0.0 100.207 175.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.7 163.39 35.89 Favored 'Trans proline' 0 C--N 1.37 1.688 1 C-N-CA 125.565 4.177 . . . . 0.0 114.537 -166.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.1 mt -80.58 106.87 12.91 Favored 'General case' 0 C--N 1.37 1.49 0 CA-C-O 124.277 1.989 . . . . 0.0 114.744 -170.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 47.2 ttm -145.32 143.06 29.96 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 111.643 -2.526 . . . . 0.0 109.642 -179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -134.84 110.06 8.93 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 172.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 60.72 34.22 19.99 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 130.547 3.539 . . . . 0.0 115.972 173.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 94.24 -6.82 72.24 Favored Glycine 0 C--N 1.351 1.387 0 C-N-CA 125.885 1.707 . . . . 0.0 112.858 -173.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -95.68 124.14 39.56 Favored 'General case' 0 C--N 1.366 1.311 0 CA-C-N 119.572 1.686 . . . . 0.0 108.555 -177.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.6 p -95.42 148.75 22.14 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 127.867 2.467 . . . . 0.0 112.04 -175.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.63 ' CD1' HD23 ' A' ' 10' ' ' LEU 0.252 0.1 OUTLIER -136.12 146.72 47.26 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 178.246 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -106.93 121.88 60.29 Favored 'Isoleucine or valine' 0 C--N 1.358 0.961 0 C-N-CA 124.964 1.305 . . . . 0.0 111.013 -173.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.33 129.36 34.45 Favored 'General case' 0 C--N 1.372 1.562 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -176.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp . . . . . 0 C--N 1.354 0.799 0 C-N-CA 125.043 1.337 . . . . 0.0 108.3 -173.781 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 . . . . . 0 CA--C 1.507 -0.708 0 N-CA-C 105.071 -2.196 . . . . 0.0 105.071 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.81 141.63 12.97 Favored Glycine 0 C--N 1.357 1.703 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 176.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.55 114.35 46.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 1 N-CA-C 100.074 -4.047 . . . . 0.0 100.074 166.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.437 HD13 HD11 ' A' ' 87' ' ' LEU . 15.5 mt -118.51 122.04 68.53 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 C-N-CA 124.104 0.962 . . . . 0.0 108.968 -172.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -114.78 140.02 49.25 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 124.75 1.22 . . . . 0.0 107.759 175.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.2 t -133.01 156.58 42.38 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 N-CA-C 103.921 -2.622 . . . . 0.0 103.921 169.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . 0.415 42.1 ptt85 -135.11 141.02 45.91 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 125.53 1.532 . . . . 0.0 114.19 173.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.23 139.27 54.08 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 125.426 1.49 . . . . 0.0 108.353 -172.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 54.5 m -115.61 128.98 56.33 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 122.547 1.165 . . . . 0.0 109.439 -177.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.5 pt . . . . . 0 C--N 1.359 1.006 0 N-CA-C 104.597 -2.371 . . . . 0.0 104.597 174.308 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 pt? . . . . . 0 CA--C 1.502 -0.903 0 N-CA-C 119.995 3.331 . . . . 0.0 119.995 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.49 -51.04 39.61 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 120.956 1.707 . . . . 0.0 112.455 173.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 1.3 p -55.41 -47.11 76.44 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 128.742 2.817 . . . . 0.0 118.067 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.729 6.9 ptp180 -75.42 -37.22 60.56 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 119.38 3.104 . . . . 0.0 119.38 167.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.412 ' HA ' ' HG3' ' A' ' 12' ' ' LYS 0.299 . . -59.07 -22.44 60.78 Favored 'General case' 0 C--N 1.368 1.39 0 O-C-N 118.983 -2.323 . . . . 0.0 114.61 175.186 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.801 HD23 ' CD1' ' A' ' 102' ' ' PHE 0.361 0.9 OUTLIER -55.07 -40.89 70.84 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 130.354 3.462 . . . . 0.0 114.124 161.726 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.536 ' HG3' ' HB3' ' A' ' 66' ' ' MET 0.333 5.3 mm-40 -70.55 -37.83 74.09 Favored 'General case' 0 C--N 1.374 1.646 0 O-C-N 120.076 -1.64 . . . . 0.0 111.727 172.408 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.412 ' HG3' ' HA ' ' A' ' 9' ' ' ALA 0.373 0.0 OUTLIER -66.39 -30.05 70.34 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 167.14 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.23 -35.49 68.88 Favored 'General case' 0 C--N 1.366 1.309 0 O-C-N 119.963 -1.71 . . . . 0.0 114.019 170.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 m -70.24 -39.27 75.15 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 127.975 2.51 . . . . 0.0 110.235 172.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.25 -31.4 53.48 Favored 'Isoleucine or valine' 0 C--N 1.37 1.484 0 O-C-N 120.05 -1.656 . . . . 0.0 112.814 169.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -70.78 -31.86 68.78 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 125.337 1.455 . . . . 0.0 113.033 171.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.525 ' HB2' ' HB3' ' A' ' 93' ' ' LYS 0.405 1.9 p30 -68.28 -37.97 81.21 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 124.559 1.143 . . . . 0.0 113.482 171.757 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.547 ' O ' HD11 ' A' ' 24' ' ' LEU . 3.4 mp -56.45 -51.71 67.39 Favored 'General case' 0 C--N 1.374 1.633 0 C-N-CA 126.295 1.838 . . . . 0.0 112.989 165.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.26 9.6 pt-20 -72.5 -15.39 61.79 Favored 'General case' 0 C--N 1.369 1.416 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 174.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.4 m -80.71 -31.03 36.28 Favored 'General case' 0 C--N 1.371 1.54 0 C-N-CA 125.213 1.405 . . . . 0.0 112.029 174.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -78.07 93.74 4.56 Favored 'General case' 0 C--N 1.367 1.362 0 CA-C-O 122.893 1.33 . . . . 0.0 111.976 177.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.346 3.9 pt20 -49.65 -37.91 27.98 Favored Pre-proline 0 C--N 1.365 1.26 0 N-CA-C 119.091 2.997 . . . . 0.0 119.091 -178.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.48 -20.31 65.89 Favored 'Trans proline' 0 C--N 1.363 1.306 0 CA-C-N 125.358 2.949 . . . . 0.0 115.096 169.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.547 HD11 ' O ' ' A' ' 18' ' ' LEU 0.404 2.4 pp -87.31 -15.44 38.0 Favored 'General case' 0 C--N 1.382 2.0 0 CA-C-N 123.872 3.033 . . . . 0.0 112.514 176.306 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 98.5 mmm -64.98 -27.82 69.09 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 126.483 1.913 . . . . 0.0 115.38 176.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -90.7 -9.16 47.8 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 125.367 1.467 . . . . 0.0 112.292 172.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -102.12 -23.35 14.07 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 126.41 1.884 . . . . 0.0 113.364 177.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 m -125.82 145.88 32.52 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 N-CA-C 104.636 -2.357 . . . . 0.0 104.636 176.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -102.46 -42.07 6.09 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 124.867 2.27 . . . . 0.0 110.747 167.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.574 3.1 mp0 -98.06 39.42 1.23 Allowed 'General case' 0 N--CA 1.439 -1.024 1 C-N-CA 137.183 6.193 . . . . 0.0 118.103 -166.816 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -86.15 111.49 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 O-C-N 119.171 -2.205 . . . . 0.0 107.805 176.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.428 HG23 HG12 ' A' ' 45' ' ' VAL . 9.9 t -142.3 167.72 21.44 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 123.908 1.813 . . . . 0.0 112.529 -166.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -78.59 -102.13 0.02 OUTLIER 'General case' 0 C--N 1.361 1.075 0 C-N-CA 128.232 2.613 . . . . 0.0 109.982 174.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 t -93.71 -53.53 0.25 Allowed Pre-proline 0 C--N 1.36 1.046 0 CA-C-O 115.238 -2.315 . . . . 0.0 114.975 178.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -72.95 137.45 26.75 Favored 'Trans proline' 0 C--N 1.363 1.308 0 CA-C-N 126.571 3.382 . . . . 0.0 113.676 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.71 18.36 7.01 Favored Glycine 0 C--N 1.359 1.82 0 C-N-CA 124.27 0.938 . . . . 0.0 114.3 175.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.424 ' CB ' HG11 ' A' ' 45' ' ' VAL 0.33 0.0 OUTLIER -74.69 -15.46 60.79 Favored 'General case' 0 C--N 1.362 1.123 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -177.078 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -107.11 15.9 24.71 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 130.585 3.554 . . . . 0.0 113.239 174.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -92.93 170.9 8.1 Favored Pre-proline 0 C--N 1.366 1.283 0 C-N-CA 125.624 1.57 . . . . 0.0 111.566 -176.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -57.41 143.8 93.25 Favored 'Trans proline' 0 C--N 1.366 1.494 0 C-N-CA 124.902 3.735 . . . . 0.0 119.617 -172.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -91.95 135.77 26.92 Favored Pre-proline 0 N--CA 1.45 -0.428 0 C-N-CA 128.329 2.652 . . . . 0.0 109.784 -175.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -78.22 151.49 90.16 Favored 'Cis proline' 0 CA--C 1.539 0.773 0 CA-C-N 123.315 2.22 . . . . 0.0 115.071 1.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -175.48 166.99 3.3 Favored 'General case' 0 CA--C 1.56 1.344 0 O-C-N 121.384 -0.823 . . . . 0.0 112.659 -174.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 51.6 t -138.15 136.91 44.68 Favored 'Isoleucine or valine' 0 C--N 1.393 2.468 0 O-C-N 121.242 -0.911 . . . . 0.0 113.01 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.428 HG12 HG23 ' A' ' 32' ' ' THR . 14.2 m -113.03 153.25 14.64 Favored 'Isoleucine or valine' 0 C--N 1.368 1.396 0 O-C-N 120.221 -1.55 . . . . 0.0 111.107 167.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 21.1 mm -85.23 138.76 18.52 Favored 'Isoleucine or valine' 0 C--N 1.368 1.381 0 C-N-CA 125.538 1.535 . . . . 0.0 110.802 169.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -146.51 -164.67 11.12 Favored Glycine 0 C--N 1.356 1.66 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 176.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -145.69 121.47 10.56 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.363 1.18 0 C-N-CA 126.349 1.86 . . . . 0.0 109.203 -173.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 124.185 1.945 . . . . 0.0 115.403 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.483 HG21 HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -107.67 122.19 61.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 1 C-N-CA 133.253 4.621 . . . . 0.0 103.175 178.402 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.9 p -115.09 116.71 28.86 Favored 'General case' 0 C--N 1.368 1.37 0 CA-C-N 121.27 1.85 . . . . 0.0 106.596 170.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.536 ' HB3' ' HG3' ' A' ' 11' ' ' GLN 0.268 3.5 ttt -155.2 161.33 41.22 Favored 'General case' 0 C--N 1.372 1.55 0 CA-C-N 121.468 1.94 . . . . 0.0 114.147 178.793 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.508 ' OD1' ' CD2' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -131.9 164.4 26.2 Favored 'General case' 0 C--N 1.369 1.415 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -175.127 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.473 ' CZ ' HD11 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -127.55 137.8 52.71 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 103.378 -2.823 . . . . 0.0 103.378 166.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.508 ' CD2' ' OD1' ' A' ' 67' ' ' ASP . 33.8 m-70 -112.66 119.09 36.89 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 103.201 -2.889 . . . . 0.0 103.201 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 p -115.15 131.04 68.6 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.075 0 C-N-CA 124.396 1.078 . . . . 0.0 108.647 -174.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.423 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -132.39 135.62 46.25 Favored 'General case' 0 C--N 1.36 1.065 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 173.096 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.73 31.8 4.04 Favored Glycine 0 C--N 1.371 2.523 0 C-N-CA 124.759 1.171 . . . . 0.0 113.596 -176.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.9 70.38 0.01 OUTLIER Glycine 0 C--N 1.356 1.672 0 C-N-CA 129.658 3.504 . . . . 0.0 119.801 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.89 -78.63 0.25 Allowed 'General case' 0 CA--C 1.502 -0.888 0 N-CA-C 104.446 -2.427 . . . . 0.0 104.446 -176.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.5 p -118.83 170.04 9.34 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 126.462 1.905 . . . . 0.0 107.587 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.554 ' HD3' ' H ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -66.6 -45.69 78.35 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 128.829 2.852 . . . . 0.0 113.741 175.217 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.63 -35.47 80.26 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 131.178 3.791 . . . . 0.0 114.918 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -58.97 -33.33 70.53 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 126.357 1.863 . . . . 0.0 115.034 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.74 -45.79 73.96 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 128.661 2.784 . . . . 0.0 115.022 175.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -74.35 -31.06 62.27 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 125.187 1.395 . . . . 0.0 111.368 176.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -67.46 -51.6 49.53 Favored 'General case' 0 C--N 1.374 1.633 0 C-N-CA 124.878 1.271 . . . . 0.0 113.077 168.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.286 10.8 pt -64.66 -39.69 86.49 Favored 'Isoleucine or valine' 0 C--N 1.381 1.945 0 CA-C-N 120.897 1.68 . . . . 0.0 114.154 176.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.5 m -68.11 -49.47 60.95 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 125.745 1.618 . . . . 0.0 113.983 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . 0.289 83.0 p -63.17 -40.38 97.38 Favored 'General case' 0 C--N 1.37 1.499 0 O-C-N 119.382 -2.073 . . . . 0.0 113.776 175.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 86.6 mmt-85 -69.13 -33.1 72.91 Favored 'General case' 0 C--N 1.371 1.502 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 171.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.312 0.3 OUTLIER -67.97 -46.14 82.41 Favored 'Isoleucine or valine' 0 C--N 1.384 2.098 0 C-N-CA 125.817 1.647 . . . . 0.0 113.529 175.682 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.6 -38.89 84.64 Favored 'General case' 0 C--N 1.379 1.881 0 O-C-N 119.839 -1.788 . . . . 0.0 112.532 175.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.444 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 17.1 tp10 -59.45 -41.7 90.29 Favored 'General case' 0 C--N 1.38 1.892 0 C-N-CA 126.372 1.869 . . . . 0.0 111.856 172.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.59 -45.34 79.55 Favored 'General case' 0 C--N 1.376 1.743 0 C-N-CA 126.229 1.812 . . . . 0.0 114.348 173.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.473 HD11 ' CZ ' ' A' ' 68' ' ' PHE . 1.5 mp -45.76 -49.8 14.56 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 130.979 3.711 . . . . 0.0 115.113 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.636 0.2 OUTLIER -105.64 11.09 32.65 Favored 'General case' 0 C--N 1.367 1.367 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 169.733 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.444 ' HB3' ' O ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -76.37 -45.9 29.85 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 119.02 -2.3 . . . . 0.0 109.687 176.019 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 17' ' ' ASN 0.286 0.5 OUTLIER -119.93 99.57 48.94 Favored Pre-proline 0 C--N 1.354 0.785 0 N-CA-C 104.837 -2.283 . . . . 0.0 104.837 -179.268 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -55.15 163.16 4.74 Favored 'Trans proline' 0 C--N 1.389 2.665 1 C-N-CA 127.193 5.262 . . . . 0.0 120.131 -164.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.5 mt -87.18 107.01 18.28 Favored 'General case' 0 C--N 1.367 1.347 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -171.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 19.5 ttt -144.79 142.19 29.79 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 113.464 -1.698 . . . . 0.0 111.078 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -133.53 107.16 7.84 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.645 1.978 . . . . 0.0 105.745 170.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 65.43 -71.45 0.08 Allowed 'General case' 0 C--N 1.348 0.54 1 C-N-CA 132.601 4.361 . . . . 0.0 117.387 169.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -139.94 16.81 3.01 Favored Glycine 0 CA--C 1.493 -1.296 0 N-CA-C 107.276 -2.329 . . . . 0.0 107.276 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -122.61 124.65 43.97 Favored 'General case' 0 C--N 1.363 1.17 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.6 m -116.35 131.96 56.8 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 127.771 2.428 . . . . 0.0 105.016 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.801 ' CD1' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -132.67 142.65 49.18 Favored 'General case' 0 C--N 1.362 1.121 0 CA-C-O 122.485 1.136 . . . . 0.0 111.829 -171.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.8 t -106.88 131.66 56.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 C-N-CA 124.849 1.26 . . . . 0.0 111.009 -175.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.62 111.22 16.84 Favored 'General case' 0 C--N 1.369 1.437 0 CA-C-O 122.671 1.224 . . . . 0.0 110.698 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.4 tttm . . . . . 0 C--N 1.352 0.686 0 C-N-CA 126.364 1.866 . . . . 0.0 106.002 -172.662 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.7 p80 . . . . . 0 N--CA 1.446 -0.651 0 CA-C-O 120.951 0.405 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.6 142.4 13.8 Favored Glycine 0 C--N 1.362 2.007 0 N-CA-C 107.447 -2.261 . . . . 0.0 107.447 170.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.478 HD11 ' CG ' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -117.96 119.46 61.54 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 N-CA-C 101.36 -3.57 . . . . 0.0 101.36 173.771 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 44.5 mt -115.93 112.78 41.08 Favored 'Isoleucine or valine' 0 C--N 1.362 1.132 0 N-CA-C 105.892 -1.892 . . . . 0.0 105.892 -175.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -118.92 139.13 52.16 Favored 'General case' 0 CA--C 1.495 -1.144 0 O-C-N 120.366 -1.459 . . . . 0.0 107.212 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 4.7 t -130.95 147.8 33.07 Favored 'Isoleucine or valine' 0 C--O 1.248 1.01 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 174.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -111.11 135.82 51.06 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 126.132 1.773 . . . . 0.0 106.319 172.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -130.63 142.68 50.45 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 106.252 -1.759 . . . . 0.0 106.252 -176.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 48.5 m -130.83 142.99 50.42 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 121.228 -0.92 . . . . 0.0 110.082 -172.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 12.8 pt . . . . . 0 C--N 1.364 1.212 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 177.798 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.8 mt . . . . . 0 C--O 1.225 -0.22 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.408 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . . . -63.06 -34.14 76.94 Favored 'General case' 0 C--N 1.375 1.689 0 C-N-CA 126.999 2.12 . . . . 0.0 113.515 174.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.471 ' O ' HD12 ' A' ' 10' ' ' LEU 0.297 52.8 p -57.49 -46.38 83.78 Favored 'General case' 0 C--N 1.373 1.62 0 C-N-CA 128.125 2.57 . . . . 0.0 113.148 175.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.483 9.2 ptm180 -72.41 -35.56 68.42 Favored 'General case' 0 C--N 1.356 0.879 1 C-N-CA 132.214 4.206 . . . . 0.0 115.477 166.151 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' A' ' 6' ' ' ALA . . . -51.56 -23.15 3.83 Favored 'General case' 0 CA--C 1.567 1.63 0 O-C-N 117.012 -3.555 . . . . 0.0 114.13 171.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.483 HD13 ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -55.86 -29.58 60.14 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 118.481 2.771 . . . . 0.0 118.481 158.577 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.483 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -70.16 -43.7 70.31 Favored 'General case' 0 C--N 1.378 1.845 0 C-N-CA 131.308 3.843 . . . . 0.0 110.182 168.658 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.383 0.0 OUTLIER -67.21 -30.04 69.86 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.054 -1.654 . . . . 0.0 113.701 168.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.67 -36.03 73.14 Favored 'General case' 0 C--N 1.362 1.143 0 C-N-CA 125.961 1.704 . . . . 0.0 113.077 170.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.334 0.7 OUTLIER -70.07 -36.65 75.1 Favored 'General case' 0 C--N 1.375 1.696 0 O-C-N 120.632 -1.292 . . . . 0.0 110.727 171.867 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.94 -31.28 53.03 Favored 'Isoleucine or valine' 0 C--N 1.371 1.506 0 O-C-N 120.088 -1.633 . . . . 0.0 113.797 172.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -70.94 -34.12 71.17 Favored 'General case' 0 C--N 1.367 1.36 0 C-N-CA 125.067 1.347 . . . . 0.0 113.127 171.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.521 ' HB2' ' HB3' ' A' ' 93' ' ' LYS 0.394 8.1 p30 -65.76 -36.94 84.97 Favored 'General case' 0 C--N 1.37 1.487 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 169.6 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.479 ' HB3' HG21 ' A' ' 31' ' ' VAL . 20.6 mt -61.34 -42.15 98.22 Favored 'General case' 0 C--N 1.369 1.451 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 169.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.87 -15.91 57.74 Favored 'General case' 0 C--N 1.368 1.373 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 170.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.6 m -84.32 -24.95 29.59 Favored 'General case' 0 C--N 1.375 1.714 0 C-N-CA 125.28 1.432 . . . . 0.0 112.703 177.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -80.4 99.13 7.81 Favored 'General case' 0 C--N 1.361 1.09 0 O-C-N 120.603 -1.311 . . . . 0.0 111.199 177.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.357 6.2 pt20 -46.22 -40.83 19.52 Favored Pre-proline 0 C--N 1.366 1.301 0 N-CA-C 120.391 3.478 . . . . 0.0 120.391 -177.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -65.88 -22.56 55.99 Favored 'Trans proline' 0 C--N 1.362 1.262 0 C-N-CA 124.734 3.623 . . . . 0.0 115.752 167.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.5 -25.57 62.31 Favored 'General case' 0 C--N 1.377 1.769 0 CA-C-N 121.778 2.081 . . . . 0.0 114.222 -176.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 84.2 mmm -76.56 -26.92 55.62 Favored 'General case' 0 C--N 1.349 0.573 1 C-N-CA 131.921 4.088 . . . . 0.0 113.051 173.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -86.87 -39.77 15.51 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 127.036 2.134 . . . . 0.0 111.669 174.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.3 mmt -79.71 -32.83 41.29 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 127.223 2.209 . . . . 0.0 114.375 178.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.491 HG13 ' HA ' ' A' ' 43' ' ' TYR . 3.2 t -126.77 144.22 37.66 Favored 'Isoleucine or valine' 0 C--N 1.365 1.241 0 N-CA-C 101.827 -3.398 . . . . 0.0 101.827 173.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -102.92 -8.61 20.55 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 118.582 -2.574 . . . . 0.0 112.367 178.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.402 0.4 OUTLIER -136.69 39.99 2.59 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 110.213 -3.176 . . . . 0.0 113.833 -153.464 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.479 HG21 ' HB3' ' A' ' 18' ' ' LEU . 7.8 p -89.07 109.37 20.15 Favored 'Isoleucine or valine' 0 C--N 1.37 1.476 0 O-C-N 119.87 -1.769 . . . . 0.0 107.376 176.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.6 t -145.95 169.01 19.48 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 124.281 1.991 . . . . 0.0 116.033 -167.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -131.03 73.19 1.53 Allowed 'General case' 0 C--N 1.355 0.807 0 C-N-CA 128.335 2.654 . . . . 0.0 104.821 176.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 96.8 p -167.14 -170.16 0.22 Allowed Pre-proline 0 C--N 1.351 0.647 0 N-CA-C 104.37 -2.455 . . . . 0.0 104.37 -172.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -71.28 157.97 55.71 Favored 'Trans proline' 0 CA--C 1.554 1.504 0 C-N-CA 123.511 2.807 . . . . 0.0 110.009 158.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 173.03 -47.09 0.16 Allowed Glycine 0 C--N 1.359 1.822 0 C-N-CA 119.395 -1.383 . . . . 0.0 110.495 -173.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.364 0.0 OUTLIER -48.28 -0.03 0.01 OUTLIER 'General case' 0 C--N 1.36 1.025 2 C-N-CA 132.856 4.463 . . . . 0.0 122.09 -173.254 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -106.61 11.22 30.71 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 128.596 2.758 . . . . 0.0 110.768 173.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -87.68 165.49 29.83 Favored Pre-proline 0 C--N 1.363 1.194 0 O-C-N 119.962 -1.711 . . . . 0.0 111.88 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.19 135.62 17.15 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 124.628 3.552 . . . . 0.0 112.521 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.43 ' CD1' ' HB2' ' A' ' 71' ' ' TRP . 33.7 m-85 -69.36 156.88 90.78 Favored Pre-proline 0 C--N 1.362 1.135 0 C-N-CA 130.866 3.667 . . . . 0.0 117.136 -173.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -83.78 147.95 57.02 Favored 'Cis proline' 0 C--N 1.361 1.21 0 CA-C-N 123.172 2.169 . . . . 0.0 114.205 0.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.491 ' HA ' HG13 ' A' ' 28' ' ' VAL 0.48 15.7 p90 -179.54 169.36 1.39 Allowed 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 125.63 1.572 . . . . 0.0 114.08 -178.284 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.4 t -138.46 145.47 28.17 Favored 'Isoleucine or valine' 0 C--N 1.411 3.276 0 N-CA-C 116.893 2.183 . . . . 0.0 116.893 -175.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.5 m -125.25 163.77 25.5 Favored 'Isoleucine or valine' 0 C--N 1.376 1.744 0 O-C-N 119.85 -1.781 . . . . 0.0 112.166 166.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.7 mm -87.97 140.44 15.8 Favored 'Isoleucine or valine' 0 C--N 1.377 1.771 0 C-N-CA 126.627 1.971 . . . . 0.0 105.977 166.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.78 -168.0 22.06 Favored Glycine 0 CA--C 1.49 -1.477 0 N-CA-C 108.419 -1.873 . . . . 0.0 108.419 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -146.33 132.19 19.09 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 . . . . . 0 C--N 1.361 1.101 0 C-N-CA 125.724 1.609 . . . . 0.0 109.324 178.797 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.537 0.457 0 CA-C-O 122.161 0.981 . . . . 0.0 111.317 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 mp -106.24 121.83 59.22 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 C-N-CA 129.954 3.302 . . . . 0.0 104.278 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.6 p -101.94 116.72 33.32 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 119.685 -1.885 . . . . 0.0 111.181 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.6 mmt -153.89 152.5 30.7 Favored 'General case' 0 C--N 1.364 1.237 0 CA-C-O 122.215 1.007 . . . . 0.0 111.919 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.12 163.64 23.37 Favored 'General case' 0 C--N 1.369 1.433 0 CA-C-O 124.166 1.936 . . . . 0.0 112.259 -172.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.282 0.0 OUTLIER -137.57 139.45 40.43 Favored 'General case' 0 C--O 1.244 0.778 0 N-CA-C 103.347 -2.835 . . . . 0.0 103.347 172.368 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -121.89 122.3 39.09 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 127.024 2.13 . . . . 0.0 108.245 -173.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.0 p -126.59 131.73 70.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 C-N-CA 124.727 1.211 . . . . 0.0 109.997 -173.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.43 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -135.12 129.5 33.99 Favored 'General case' 0 C--N 1.372 1.556 0 CA-C-O 121.493 0.663 . . . . 0.0 111.594 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -123.69 151.78 17.07 Favored Glycine 0 C--N 1.366 2.242 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 175.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 175.07 112.82 0.31 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 104.83 -3.308 . . . . 0.0 104.83 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.4 m 174.26 -61.78 0.01 OUTLIER 'General case' 0 C--N 1.354 0.78 0 N-CA-C 101.826 -3.398 . . . . 0.0 101.826 -175.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.1 p -130.81 152.32 50.28 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 101.007 -3.701 . . . . 0.0 101.007 171.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . 0.266 13.3 ptm180 -66.34 -34.63 78.4 Favored 'General case' 0 C--N 1.362 1.139 0 CA-C-N 120.343 1.429 . . . . 0.0 114.674 177.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.91 -36.11 83.33 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 130.288 3.435 . . . . 0.0 114.71 176.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -57.04 -32.76 66.53 Favored 'General case' 0 C--N 1.379 1.89 0 C-N-CA 125.564 1.545 . . . . 0.0 114.819 174.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.96 -38.27 82.59 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 129.001 2.92 . . . . 0.0 114.21 173.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -76.81 -36.45 56.92 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 125.57 1.548 . . . . 0.0 111.226 174.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -61.81 -49.88 74.54 Favored 'General case' 0 C--N 1.373 1.594 0 C-N-CA 126.207 1.803 . . . . 0.0 112.357 172.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.303 17.1 pt -62.75 -37.35 78.86 Favored 'Isoleucine or valine' 0 C--N 1.371 1.533 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 174.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -68.03 -49.85 58.95 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 127.361 2.264 . . . . 0.0 112.549 173.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.1 t -58.36 -43.89 88.6 Favored 'General case' 0 C--N 1.371 1.507 0 C-N-CA 128.297 2.639 . . . . 0.0 113.241 171.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 -66.8 -36.95 83.57 Favored 'General case' 0 C--N 1.372 1.554 0 C-N-CA 126.353 1.861 . . . . 0.0 114.339 171.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.349 0.3 OUTLIER -66.92 -49.35 74.81 Favored 'Isoleucine or valine' 0 C--N 1.382 1.981 0 CA-C-N 121.013 1.733 . . . . 0.0 112.592 176.38 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.3 mp -63.14 -40.07 96.52 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 119.462 -2.024 . . . . 0.0 113.447 176.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.453 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 33.0 tt0 -63.13 -38.07 89.7 Favored 'General case' 0 C--N 1.372 1.547 0 C-N-CA 125.976 1.71 . . . . 0.0 113.368 172.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.95 -43.45 65.21 Favored 'General case' 0 C--N 1.377 1.764 0 C-N-CA 126.744 2.018 . . . . 0.0 114.024 174.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.454 ' CD1' HD21 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -49.23 -50.27 39.3 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 130.635 3.574 . . . . 0.0 113.641 176.034 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.559 0.2 OUTLIER -102.3 10.24 39.33 Favored 'General case' 0 C--N 1.371 1.508 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 169.353 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.453 ' HB3' ' O ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -75.82 -43.38 46.3 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 118.802 -2.436 . . . . 0.0 109.762 175.577 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 17' ' ' ASN 0.277 0.1 OUTLIER -125.54 94.2 43.17 Favored Pre-proline 0 C--N 1.35 0.593 0 N-CA-C 104.368 -2.456 . . . . 0.0 104.368 179.243 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -63.63 149.02 91.93 Favored 'Trans proline' 0 C--N 1.378 2.117 0 C-N-CA 125.078 3.852 . . . . 0.0 116.809 -168.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.76 107.64 3.1 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 127.396 2.278 . . . . 0.0 116.542 -173.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 44.6 ttm -144.04 143.22 31.08 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 125.856 1.662 . . . . 0.0 107.405 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -135.68 108.41 7.51 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 67.98 26.47 7.38 Favored 'General case' 0 C--N 1.362 1.114 0 C-N-CA 130.013 3.325 . . . . 0.0 114.962 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.4 -6.36 61.2 Favored Glycine 0 C--N 1.355 1.588 0 C-N-CA 125.818 1.675 . . . . 0.0 112.737 -173.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -94.56 128.3 41.09 Favored 'General case' 0 C--N 1.36 1.052 0 CA-C-N 118.882 1.341 . . . . 0.0 111.323 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.0 m -107.32 134.65 50.07 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 125.671 1.589 . . . . 0.0 112.839 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -140.72 121.7 14.59 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 102.186 -3.265 . . . . 0.0 102.186 -179.562 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.7 t -106.17 142.43 19.16 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 C-N-CA 124.999 1.32 . . . . 0.0 108.334 -169.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.84 131.26 35.37 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -173.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 66.1 tttp . . . . . 0 C--N 1.358 0.977 0 C-N-CA 126.425 1.89 . . . . 0.0 106.968 177.697 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 . . . . . 0 N--CA 1.44 -0.929 0 N-CA-C 104.024 -2.584 . . . . 0.0 104.024 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.68 139.88 11.32 Favored Glycine 0 C--N 1.353 1.505 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -120.75 116.73 50.86 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 N-CA-C 102.643 -3.095 . . . . 0.0 102.643 172.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.2 mt -113.31 122.4 67.36 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 -178.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -117.8 126.53 52.6 Favored 'General case' 0 C--N 1.364 1.224 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 178.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.42 145.39 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 CA-C-O 122.825 1.298 . . . . 0.0 109.287 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -110.79 114.98 28.75 Favored 'General case' 0 C--N 1.364 1.204 0 N-CA-C 103.692 -2.707 . . . . 0.0 103.692 168.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -100.98 140.48 35.22 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.396 -1.44 . . . . 0.0 107.131 -176.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 21.2 m -113.09 136.17 53.0 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.817 1.247 . . . . 0.0 111.205 -171.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.2 pt . . . . . 0 C--N 1.363 1.176 0 CA-C-O 122.369 1.08 . . . . 0.0 111.367 176.773 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 C--O 1.22 -0.451 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.54 -34.82 77.86 Favored 'General case' 0 C--N 1.371 1.506 0 CA-C-N 120.724 1.602 . . . . 0.0 114.313 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 23.5 m -56.87 -46.78 81.61 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 127.532 2.333 . . . . 0.0 113.36 171.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.468 0.0 OUTLIER -74.24 -38.28 63.54 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 131.422 3.889 . . . . 0.0 116.155 170.568 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.414 ' HA ' ' HG3' ' A' ' 12' ' ' LYS . . . -56.02 -23.75 34.93 Favored 'General case' 0 C--N 1.366 1.315 0 O-C-N 117.326 -3.359 . . . . 0.0 113.62 173.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.801 HD23 HG21 ' A' ' 64' ' ' ILE 0.272 1.6 tp -55.31 -40.37 71.05 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 127.398 2.279 . . . . 0.0 115.414 161.243 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -70.02 -39.17 75.98 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 126.489 1.916 . . . . 0.0 111.688 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.414 ' HG3' ' HA ' ' A' ' 9' ' ' ALA 0.327 0.0 OUTLIER -68.01 -30.13 69.3 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 165.796 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.88 72.57 Favored 'General case' 0 C--N 1.364 1.2 0 O-C-N 119.775 -1.828 . . . . 0.0 112.799 172.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.422 ' HG1' HD12 ' A' ' 10' ' ' LEU . 10.0 m -69.93 -35.09 74.26 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 127.203 2.201 . . . . 0.0 111.19 175.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.42 -31.79 54.4 Favored 'Isoleucine or valine' 0 C--N 1.374 1.637 0 O-C-N 120.466 -1.396 . . . . 0.0 112.27 168.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -70.69 -29.78 66.18 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 124.74 1.216 . . . . 0.0 112.999 170.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.465 ' OD1' ' HG2' ' A' ' 93' ' ' LYS . 11.0 m-20 -65.45 -38.86 91.1 Favored 'General case' 0 C--N 1.372 1.544 0 O-C-N 118.921 -2.362 . . . . 0.0 111.67 169.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 mp -62.3 -35.86 80.34 Favored 'General case' 0 C--N 1.377 1.793 0 C-N-CA 127.131 2.173 . . . . 0.0 112.595 169.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -31.48 65.49 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 126.109 1.763 . . . . 0.0 113.455 170.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.1 t -76.08 -35.42 59.38 Favored 'General case' 0 C--N 1.374 1.656 0 C-N-CA 125.171 1.388 . . . . 0.0 114.202 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -75.45 95.27 3.24 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 123.022 1.392 . . . . 0.0 113.14 -177.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.354 1.2 pt20 -40.38 -45.59 5.26 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 130.47 3.508 . . . . 0.0 118.845 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.54 -19.82 65.3 Favored 'Trans proline' 0 CA--C 1.55 1.305 0 C-N-CA 125.16 3.907 . . . . 0.0 116.298 166.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.94 -32.5 59.59 Favored 'General case' 0 C--N 1.374 1.633 0 CA-C-N 122.029 2.195 . . . . 0.0 112.361 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.9 mmm -66.18 -28.21 68.59 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 129.574 3.15 . . . . 0.0 114.834 176.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -80.28 -18.33 49.64 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 126.924 2.089 . . . . 0.0 112.805 175.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 51.0 mtt -102.36 -45.69 5.02 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.731 2.012 . . . . 0.0 115.607 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' A' ' 43' ' ' TYR . 1.4 p -122.32 143.69 34.19 Favored 'Isoleucine or valine' 0 C--N 1.364 1.217 0 O-C-N 119.116 -2.24 . . . . 0.0 106.415 177.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -102.92 -26.31 13.15 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 125.679 2.657 . . . . 0.0 111.095 172.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.493 3.3 mp0 -97.34 40.71 1.14 Allowed 'General case' 0 N--CA 1.428 -1.572 1 C-N-CA 137.513 6.325 . . . . 0.0 114.138 -166.233 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.27 108.58 18.83 Favored 'Isoleucine or valine' 0 C--N 1.375 1.714 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 173.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.3 t -132.23 158.45 41.75 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.336 1.455 . . . . 0.0 113.577 -173.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -99.57 -9.92 22.67 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 126.133 1.773 . . . . 0.0 113.412 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.292 14.8 m -166.43 -79.89 0.0 OUTLIER Pre-proline 0 C--N 1.356 0.855 0 CA-C-O 114.765 -2.54 . . . . 0.0 110.011 178.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -72.82 138.32 28.6 Favored 'Trans proline' 0 C--N 1.366 1.472 0 C-N-CA 124.477 3.451 . . . . 0.0 112.599 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.1 28.57 2.82 Favored Glycine 0 C--N 1.363 2.068 0 O-C-N 120.311 -1.493 . . . . 0.0 111.22 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.46 ' HA ' HG11 ' A' ' 45' ' ' VAL 0.326 0.0 OUTLIER -86.91 -26.07 24.1 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 127.442 2.297 . . . . 0.0 114.358 171.955 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 52.2 p30 -95.05 15.29 19.29 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 127.521 2.329 . . . . 0.0 116.094 -175.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -85.36 169.02 17.27 Favored Pre-proline 0 C--N 1.359 1.008 0 C-N-CA 124.138 0.975 . . . . 0.0 112.642 176.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -75.32 146.46 31.56 Favored 'Trans proline' 0 CA--C 1.551 1.346 0 C-N-CA 124.122 3.215 . . . . 0.0 113.866 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.427 ' CE1' ' HB2' ' A' ' 71' ' ' TRP . 76.7 m-85 -65.11 145.35 99.11 Favored Pre-proline 0 C--N 1.369 1.43 0 C-N-CA 130.315 3.446 . . . . 0.0 114.669 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -87.62 149.64 34.71 Favored 'Cis proline' 0 C--N 1.354 0.858 0 CA-C-N 123.074 2.134 . . . . 0.0 113.453 4.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.493 ' HA ' HG23 ' A' ' 28' ' ' VAL . 34.1 p90 -172.03 168.63 5.83 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 124.144 0.978 . . . . 0.0 113.435 -178.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.9 t -133.89 124.15 46.38 Favored 'Isoleucine or valine' 0 C--N 1.398 2.705 0 CA-C-O 123.364 1.554 . . . . 0.0 114.02 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.46 HG11 ' HA ' ' A' ' 37' ' ' LYS . 17.7 m -112.76 145.98 18.06 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 O-C-N 120.43 -1.419 . . . . 0.0 110.717 175.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.2 mm -79.86 140.13 17.22 Favored 'Isoleucine or valine' 0 C--N 1.375 1.715 0 C-N-CA 126.02 1.728 . . . . 0.0 107.353 169.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -166.02 -178.83 39.15 Favored Glycine 0 CA--C 1.485 -1.803 0 N-CA-C 108.649 -1.78 . . . . 0.0 108.649 -176.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -145.05 120.68 10.45 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -176.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 . . . . . 0 C--N 1.365 1.278 0 C-N-CA 127.064 2.146 . . . . 0.0 107.839 178.715 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.8 m120 . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 102.532 -3.136 . . . . 0.0 102.532 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.801 HG21 HD23 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -115.86 122.12 68.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 N-CA-C 101.111 -3.663 . . . . 0.0 101.111 176.278 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.5 p -129.06 117.0 20.16 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 177.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 28.5 tpp -154.03 156.37 37.24 Favored 'General case' 0 C--N 1.369 1.445 0 CA-C-O 122.513 1.149 . . . . 0.0 112.72 -175.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.94 163.86 28.59 Favored 'General case' 0 C--N 1.364 1.22 0 CA-C-O 125.265 2.46 . . . . 0.0 112.987 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.447 ' CZ ' HD11 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -130.26 139.42 50.76 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 101.492 -3.521 . . . . 0.0 101.492 173.415 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -112.59 118.43 35.07 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 101.404 -3.554 . . . . 0.0 101.404 -176.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.431 HG21 HG11 ' A' ' 86' ' ' VAL . 67.4 t -123.11 111.79 31.1 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.519 0 N-CA-C 103.731 -2.692 . . . . 0.0 103.731 -165.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.427 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -129.75 138.8 51.28 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 116.463 -2.095 . . . . 0.0 110.801 -174.86 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.1 150.73 17.27 Favored Glycine 0 C--N 1.359 1.841 0 N-CA-C 106.481 -2.648 . . . . 0.0 106.481 171.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -134.21 31.88 2.73 Favored Glycine 0 C--N 1.351 1.373 0 N-CA-C 107.306 -2.317 . . . . 0.0 107.306 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.1 m -106.05 -53.68 2.6 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 126.72 2.008 . . . . 0.0 113.048 -169.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.3 m -164.11 154.16 14.7 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 105.225 -2.139 . . . . 0.0 105.225 -176.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -52.46 -46.2 66.38 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 130.866 3.666 . . . . 0.0 115.799 175.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.47 -36.28 65.81 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 129.726 3.21 . . . . 0.0 113.903 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -68.04 -36.33 79.72 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 127.068 2.147 . . . . 0.0 113.027 177.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.53 -36.38 78.77 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 128.456 2.702 . . . . 0.0 114.406 174.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -77.72 -32.64 53.0 Favored 'General case' 0 C--N 1.366 1.311 0 O-C-N 120.549 -1.344 . . . . 0.0 112.363 171.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -62.5 -45.17 94.24 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 127.839 2.456 . . . . 0.0 112.328 172.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.476 ' HA ' ' HG3' ' A' ' 85' ' ' ARG 0.285 19.5 pt -65.36 -39.66 86.0 Favored 'Isoleucine or valine' 0 C--N 1.38 1.917 0 CA-C-N 119.78 1.173 . . . . 0.0 113.689 172.293 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.0 t -62.49 -49.62 74.67 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 127.127 2.171 . . . . 0.0 112.945 174.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 t -65.85 -42.14 90.84 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 128.961 2.904 . . . . 0.0 113.912 173.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.476 ' HG3' ' HA ' ' A' ' 82' ' ' ILE 0.467 0.0 OUTLIER -70.76 -29.39 65.61 Favored 'General case' 0 C--N 1.379 1.888 0 C-N-CA 125.69 1.596 . . . . 0.0 115.215 174.318 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.431 HG11 HG21 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -69.25 -49.18 63.5 Favored 'Isoleucine or valine' 0 C--N 1.384 2.089 0 C-N-CA 125.503 1.521 . . . . 0.0 110.676 170.27 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.251 0.3 OUTLIER -58.6 -40.29 82.84 Favored 'General case' 0 C--N 1.372 1.584 0 C-N-CA 128.302 2.641 . . . . 0.0 112.76 174.549 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.7 -46.1 87.03 Favored 'General case' 0 C--N 1.376 1.719 0 C-N-CA 126.108 1.763 . . . . 0.0 113.463 170.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.426 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -61.63 -42.05 98.35 Favored 'General case' 0 C--N 1.379 1.872 0 C-N-CA 126.873 2.069 . . . . 0.0 114.684 171.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.447 HD11 ' CZ ' ' A' ' 68' ' ' PHE . 1.6 mp -50.51 -49.25 56.1 Favored 'General case' 0 C--N 1.379 1.869 0 C-N-CA 129.024 2.93 . . . . 0.0 113.928 175.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.781 0.2 OUTLIER -106.11 11.61 31.19 Favored 'General case' 0 C--N 1.376 1.72 0 N-CA-C 117.514 2.413 . . . . 0.0 117.514 169.853 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.426 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -74.62 -41.77 59.8 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 119.214 -2.179 . . . . 0.0 107.348 172.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.465 ' HG2' ' OD1' ' A' ' 17' ' ' ASN 0.251 9.6 tptp -104.26 134.26 19.78 Favored Pre-proline 0 N--CA 1.431 -1.417 0 N-CA-C 103.182 -2.896 . . . . 0.0 103.182 175.274 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -78.95 152.49 24.81 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 123.688 2.925 . . . . 0.0 110.676 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.37 107.26 13.03 Favored 'General case' 0 C--N 1.36 1.048 0 CA-C-O 125.193 2.425 . . . . 0.0 113.462 -177.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 15.1 ttt -145.34 151.06 37.7 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 111.7 -2.5 . . . . 0.0 108.007 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.409 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 62.0 t80 -134.87 107.04 7.15 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 104.798 -2.297 . . . . 0.0 104.798 167.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 66.18 -76.0 0.05 OUTLIER 'General case' 0 C--N 1.35 0.607 1 C-N-CA 133.672 4.789 . . . . 0.0 116.673 170.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.24 19.75 2.47 Favored Glycine 0 CA--C 1.496 -1.118 0 N-CA-C 106.977 -2.449 . . . . 0.0 106.977 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -121.45 124.82 45.4 Favored 'General case' 0 C--N 1.366 1.31 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.3 m -121.67 138.02 54.51 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 125.487 1.515 . . . . 0.0 107.779 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.652 ' CE1' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -134.35 147.74 50.6 Favored 'General case' 0 C--N 1.345 0.38 0 C-N-CA 128.711 2.804 . . . . 0.0 105.447 -178.552 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.6 t -106.49 132.01 54.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 C-N-CA 127.285 2.234 . . . . 0.0 107.881 -175.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.88 138.8 34.98 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 126.387 1.875 . . . . 0.0 113.846 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.4 tttp . . . . . 0 C--N 1.357 0.918 0 C-N-CA 126.82 2.048 . . . . 0.0 114.467 -177.763 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.449 -0.514 0 N-CA-C 100.5 -3.889 . . . . 0.0 100.5 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -123.36 129.29 7.31 Favored Glycine 0 CA--C 1.484 -1.886 0 N-CA-C 107.851 -2.099 . . . . 0.0 107.851 -169.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -105.04 114.91 45.83 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 N-CA-C 103.101 -2.925 . . . . 0.0 103.101 176.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.3 mm -104.99 113.46 42.1 Favored 'Isoleucine or valine' 0 C--N 1.358 0.942 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 -172.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -124.17 136.52 54.25 Favored 'General case' 0 CA--C 1.492 -1.27 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -177.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 40.0 t -131.01 144.33 38.17 Favored 'Isoleucine or valine' 0 C--O 1.247 0.924 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 177.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -117.71 129.35 55.66 Favored 'General case' 0 C--N 1.362 1.123 0 N-CA-C 104.709 -2.33 . . . . 0.0 104.709 174.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -126.32 145.27 50.5 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 104.179 -2.526 . . . . 0.0 104.179 -173.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 46.0 m -135.69 142.17 45.06 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 119.908 -1.745 . . . . 0.0 109.705 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.4 HG23 ' HB3' ' A' ' 102' ' ' PHE . 4.9 pt . . . . . 0 C--N 1.363 1.193 0 C-N-CA 129.643 3.177 . . . . 0.0 102.938 175.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.467 0.408 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.53 -33.62 70.07 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 127.274 2.229 . . . . 0.0 114.244 173.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.565 ' HB3' HD12 ' A' ' 64' ' ' ILE . 6.9 m -57.04 -47.95 79.69 Favored 'General case' 0 C--N 1.367 1.355 0 C-N-CA 127.895 2.478 . . . . 0.0 113.579 176.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.492 78.3 ttt-85 -72.58 -35.7 67.98 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 131.228 3.811 . . . . 0.0 114.353 170.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.17 -22.91 4.74 Favored 'General case' 0 CA--C 1.566 1.575 0 O-C-N 118.488 -2.633 . . . . 0.0 114.241 167.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.587 HD13 ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -56.13 -33.58 65.29 Favored 'General case' 0 C--N 1.373 1.629 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 160.786 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.587 ' N ' HD13 ' A' ' 10' ' ' LEU . 7.9 tp60 -70.48 -37.88 74.3 Favored 'General case' 0 C--N 1.374 1.643 0 C-N-CA 128.708 2.803 . . . . 0.0 110.282 172.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -64.83 -32.5 74.22 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.777 -1.202 . . . . 0.0 114.232 167.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.19 -33.09 67.39 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 127.019 2.127 . . . . 0.0 112.143 171.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.8 m -69.96 -44.64 69.09 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 127.927 2.491 . . . . 0.0 111.197 172.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.18 -30.71 50.38 Favored 'Isoleucine or valine' 0 C--N 1.366 1.303 0 C-N-CA 126.837 2.055 . . . . 0.0 112.802 170.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -70.44 -36.18 73.8 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 124.294 1.038 . . . . 0.0 112.172 170.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . 0.423 12.9 p30 -62.48 -36.52 82.74 Favored 'General case' 0 C--N 1.365 1.272 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 168.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 mt -61.62 -40.64 95.59 Favored 'General case' 0 C--N 1.37 1.474 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 167.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -26.44 59.59 Favored 'General case' 0 C--N 1.37 1.461 0 C-N-CA 125.512 1.525 . . . . 0.0 113.768 173.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -86.79 -22.13 26.07 Favored 'General case' 0 C--N 1.371 1.501 0 C-N-CA 127.007 2.123 . . . . 0.0 113.571 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -81.11 98.45 8.02 Favored 'General case' 0 C--N 1.357 0.912 0 C-N-CA 124.866 1.266 . . . . 0.0 111.868 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.403 6.2 pt20 -40.58 -48.49 6.96 Favored Pre-proline 0 C--N 1.368 1.388 0 N-CA-C 121.036 3.717 . . . . 0.0 121.036 -174.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -65.9 -20.47 58.04 Favored 'Trans proline' 0 CA--C 1.552 1.378 0 CA-C-N 127.139 3.585 . . . . 0.0 115.694 168.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 tt -76.18 -26.05 55.82 Favored 'General case' 0 C--N 1.375 1.698 0 CA-C-N 122.357 2.344 . . . . 0.0 113.173 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 67.3 mtp -65.65 -27.99 68.77 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 128.091 2.557 . . . . 0.0 113.272 175.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -82.49 -9.97 59.21 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 126.969 2.107 . . . . 0.0 112.251 172.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.9 mmt -102.33 -31.05 10.7 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 127.908 2.483 . . . . 0.0 111.868 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.438 HG21 ' HB ' ' A' ' 31' ' ' VAL . 6.1 m -122.86 144.39 32.48 Favored 'Isoleucine or valine' 0 C--N 1.364 1.227 0 O-C-N 119.713 -1.867 . . . . 0.0 110.431 178.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.39 -8.64 19.04 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 120.103 -1.623 . . . . 0.0 110.314 164.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.417 6.4 mm-40 -136.77 38.57 2.61 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 130.271 3.428 . . . . 0.0 116.419 -157.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.438 ' HB ' HG21 ' A' ' 28' ' ' VAL . 5.4 p -86.55 109.46 18.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 O-C-N 118.6 -2.563 . . . . 0.0 107.722 176.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.1 t -140.25 144.6 36.57 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 123.913 1.816 . . . . 0.0 113.549 -170.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -90.96 -29.9 17.15 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 126.433 1.893 . . . . 0.0 112.163 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.3 m -106.12 151.65 40.19 Favored Pre-proline 0 C--N 1.354 0.803 0 C-N-CA 127.085 2.154 . . . . 0.0 106.227 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -63.91 136.25 51.99 Favored 'Trans proline' 0 C--N 1.359 1.116 0 CA-C-N 124.061 2.486 . . . . 0.0 117.958 -164.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.57 27.27 0.6 Allowed Glycine 0 CA--C 1.496 -1.12 0 N-CA-C 104.268 -3.533 . . . . 0.0 104.268 176.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.348 0.0 OUTLIER -84.52 -10.73 57.18 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 127.721 2.409 . . . . 0.0 114.456 -167.327 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -92.41 1.39 57.27 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 129.395 3.078 . . . . 0.0 110.573 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -95.56 157.89 35.39 Favored Pre-proline 0 C--N 1.362 1.11 0 C-N-CA 126.008 1.723 . . . . 0.0 109.152 174.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -75.68 163.09 34.45 Favored 'Trans proline' 0 CA--C 1.546 1.116 0 C-N-CA 124.819 3.68 . . . . 0.0 114.734 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.441 ' CE2' ' HB3' ' A' ' 71' ' ' TRP . 4.7 m-30 -73.32 163.71 66.44 Favored Pre-proline 0 CA--C 1.56 1.352 0 C-N-CA 128.929 2.891 . . . . 0.0 114.247 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -80.96 147.57 73.78 Favored 'Cis proline' 0 C--N 1.361 1.209 0 CA-C-N 121.94 1.729 . . . . 0.0 111.362 -1.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.415 ' CE1' ' CZ3' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -173.98 167.52 4.27 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-O 121.793 0.806 . . . . 0.0 112.305 -172.004 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.4 t -137.49 125.95 33.2 Favored 'Isoleucine or valine' 0 C--N 1.371 1.514 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.288 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.567 HG22 ' CH2' ' A' ' 71' ' ' TRP . 5.2 m -117.03 152.1 18.83 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 121.039 -1.038 . . . . 0.0 110.794 174.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.2 mp -74.41 140.64 17.24 Favored 'Isoleucine or valine' 0 C--N 1.371 1.527 0 C-N-CA 126.449 1.9 . . . . 0.0 111.793 171.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.72 -177.91 36.92 Favored Glycine 0 CA--C 1.474 -2.475 0 C-N-CA 118.446 -1.835 . . . . 0.0 109.14 176.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -145.81 121.02 10.18 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 102.817 -3.031 . . . . 0.0 102.817 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.366 1.306 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -174.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.9 p30 . . . . . 0 N--CA 1.449 -0.484 0 CA-C-O 123.625 1.679 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.565 HD12 ' HB3' ' A' ' 7' ' ' SER . 0.2 OUTLIER -124.14 135.52 63.37 Favored 'Isoleucine or valine' 0 C--N 1.361 1.081 0 N-CA-C 104.032 -2.581 . . . . 0.0 104.032 -177.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 91.1 m -130.01 120.63 25.06 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 66.6 mmm -147.0 151.34 36.8 Favored 'General case' 0 C--N 1.363 1.17 0 CA-C-N 121.186 1.812 . . . . 0.0 111.112 -176.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.85 163.64 17.22 Favored 'General case' 0 C--N 1.363 1.192 0 CA-C-O 124.576 2.131 . . . . 0.0 110.937 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.297 0.0 OUTLIER -142.51 140.22 31.75 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 102.65 -3.092 . . . . 0.0 102.65 173.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -112.49 118.1 34.21 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 101.654 -3.462 . . . . 0.0 101.654 -176.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.1 t -118.6 111.94 35.93 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.27 0 N-CA-C 105.265 -2.124 . . . . 0.0 105.265 -167.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.567 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -130.26 139.15 50.79 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 117.778 -1.569 . . . . 0.0 109.492 -176.4 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -140.51 171.04 24.18 Favored Glycine 0 CA--C 1.484 -1.849 0 N-CA-C 107.892 -2.083 . . . . 0.0 107.892 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -114.71 -150.41 10.0 Favored Glycine 0 C--N 1.355 1.613 0 C-N-CA 124.98 1.276 . . . . 0.0 111.192 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.26 31.1 m 73.2 -67.92 0.25 Allowed 'General case' 0 C--N 1.36 1.046 0 C-N-CA 128.317 2.647 . . . . 0.0 115.468 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.7 m -157.47 155.3 30.16 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 -176.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.33 -35.17 50.11 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 130.784 3.634 . . . . 0.0 114.878 177.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.28 -35.39 73.67 Favored 'General case' 0 C--N 1.362 1.121 0 C-N-CA 129.918 3.287 . . . . 0.0 115.215 173.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -69.99 -33.49 72.12 Favored 'General case' 0 C--N 1.371 1.508 0 C-N-CA 126.558 1.943 . . . . 0.0 113.913 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.457 ' HA ' HG12 ' A' ' 82' ' ' ILE . . . -61.89 -29.97 70.56 Favored 'General case' 0 C--N 1.366 1.294 0 C-N-CA 129.753 3.221 . . . . 0.0 114.652 175.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -77.12 -37.91 53.21 Favored 'General case' 0 C--N 1.363 1.196 0 C-N-CA 127.685 2.394 . . . . 0.0 111.138 174.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.17 -50.98 59.19 Favored 'General case' 0 C--N 1.37 1.497 0 C-N-CA 127.336 2.254 . . . . 0.0 111.953 173.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.457 HG12 ' HA ' ' A' ' 79' ' ' ALA 0.33 40.7 pt -61.6 -37.61 78.3 Favored 'Isoleucine or valine' 0 C--N 1.375 1.702 0 C-N-CA 125.045 1.338 . . . . 0.0 114.546 175.329 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . 0.25 15.6 p -68.13 -39.78 82.63 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 126.171 1.788 . . . . 0.0 112.734 173.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 t -67.76 -42.26 82.05 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 127.83 2.452 . . . . 0.0 112.831 173.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -63.79 -34.53 78.12 Favored 'General case' 0 C--N 1.374 1.631 0 C-N-CA 126.378 1.871 . . . . 0.0 112.627 172.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.252 4.7 t -64.05 -49.49 81.32 Favored 'Isoleucine or valine' 0 C--N 1.387 2.198 0 C-N-CA 125.199 1.399 . . . . 0.0 112.396 166.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.02 -48.19 74.78 Favored 'General case' 0 C--N 1.378 1.824 0 CA-C-N 123.324 2.784 . . . . 0.0 114.27 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 30.8 tt0 -59.65 -34.89 73.39 Favored 'General case' 0 C--N 1.374 1.643 0 C-N-CA 127.339 2.256 . . . . 0.0 112.517 174.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.57 -45.7 78.42 Favored 'General case' 0 C--N 1.38 1.893 0 C-N-CA 125.532 1.533 . . . . 0.0 114.017 167.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.259 33.9 mt -49.09 -45.57 43.44 Favored 'General case' 0 C--N 1.396 2.611 0 C-N-CA 127.681 2.392 . . . . 0.0 114.744 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.591 0.2 OUTLIER -103.19 10.27 37.86 Favored 'General case' 0 C--N 1.365 1.244 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 171.206 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.407 ' HB3' ' O ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -78.29 -45.64 22.22 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 119.304 -2.122 . . . . 0.0 109.12 175.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.02 101.74 47.16 Favored Pre-proline 0 C--N 1.356 0.867 0 N-CA-C 102.113 -3.292 . . . . 0.0 102.113 175.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.69 157.55 58.26 Favored 'Trans proline' 0 C--N 1.36 1.149 0 C-N-CA 124.028 3.152 . . . . 0.0 115.059 -170.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.6 mt -71.31 107.4 4.26 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 126.977 2.111 . . . . 0.0 115.717 -172.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 46.5 ttp -145.16 139.3 27.16 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 126.102 1.761 . . . . 0.0 108.435 176.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -134.77 108.17 7.82 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 178.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 71.53 22.32 4.17 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 130.036 3.334 . . . . 0.0 115.368 173.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 101.15 -5.75 56.01 Favored Glycine 0 C--N 1.353 1.495 0 C-N-CA 126.035 1.779 . . . . 0.0 112.013 -174.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -96.71 126.09 41.63 Favored 'General case' 0 C--N 1.361 1.072 0 CA-C-N 118.437 1.118 . . . . 0.0 109.364 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.2 p -93.44 153.03 18.72 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 127.354 2.261 . . . . 0.0 113.078 -175.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -136.29 139.2 42.48 Favored 'General case' 0 C--N 1.361 1.102 0 N-CA-C 105.928 -1.878 . . . . 0.0 105.928 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.3 t -107.09 115.88 49.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 C-N-CA 126.24 1.816 . . . . 0.0 108.762 -173.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.2 138.72 35.8 Favored 'General case' 0 C--N 1.367 1.347 0 N-CA-C 117.507 2.41 . . . . 0.0 117.507 -172.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.0 tttp . . . . . 0 N--CA 1.444 -0.759 0 C-N-CA 129.859 3.264 . . . . 0.0 107.131 177.432 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.441 -0.896 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -122.32 140.65 13.62 Favored Glycine 0 C--N 1.353 1.492 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 171.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.23 117.86 52.78 Favored 'Isoleucine or valine' 0 C--N 1.367 1.34 0 N-CA-C 103.568 -2.753 . . . . 0.0 103.568 172.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.3 mm -112.74 117.89 56.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 CA-C-N 114.507 -1.224 . . . . 0.0 108.106 -170.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -116.73 140.14 49.76 Favored 'General case' 0 C--N 1.37 1.485 0 CA-C-O 121.325 0.583 . . . . 0.0 109.907 175.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -136.0 157.56 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 169.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . 0.273 24.9 ttt180 -134.49 141.59 46.79 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 126.707 2.003 . . . . 0.0 110.209 174.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.455 ' CE2' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -133.38 144.38 49.53 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 104.643 -2.355 . . . . 0.0 104.643 -175.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 88.3 m -134.89 142.98 46.71 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 126.667 1.987 . . . . 0.0 106.465 -174.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 9.7 tp . . . . . 0 C--N 1.363 1.159 0 O-C-N 119.909 -1.744 . . . . 0.0 108.427 176.392 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.6 tp . . . . . 0 N--CA 1.469 0.492 0 N-CA-C 120.054 3.353 . . . . 0.0 120.054 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.26 -51.43 37.53 Favored 'General case' 0 C--N 1.367 1.341 0 CA-C-N 122.073 2.215 . . . . 0.0 113.146 174.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.401 ' HB3' HG13 ' A' ' 64' ' ' ILE . 8.5 m -58.5 -48.65 80.1 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 129.399 3.08 . . . . 0.0 117.469 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.523 9.2 tpt180 -73.9 -37.84 64.55 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.279 2.231 . . . . 0.0 114.146 172.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.296 . . -58.51 -22.68 55.97 Favored 'General case' 0 C--N 1.367 1.354 0 O-C-N 117.965 -2.959 . . . . 0.0 115.383 170.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.483 HD22 ' CG ' ' A' ' 102' ' ' PHE 0.319 0.4 OUTLIER -63.62 -28.71 70.1 Favored 'General case' 0 C--N 1.377 1.772 0 O-C-N 120.414 -1.429 . . . . 0.0 114.776 161.059 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.291 1.0 OUTLIER -67.95 -38.23 82.55 Favored 'General case' 0 C--N 1.383 2.038 0 O-C-N 118.619 -2.551 . . . . 0.0 109.858 174.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -66.01 -29.76 70.19 Favored 'General case' 0 C--N 1.368 1.397 0 CA-C-N 113.609 -1.632 . . . . 0.0 113.898 166.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.26 -42.73 79.2 Favored 'General case' 0 C--N 1.37 1.484 0 C-N-CA 125.562 1.545 . . . . 0.0 111.978 168.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.3 p -57.25 -41.79 80.31 Favored 'General case' 0 C--N 1.382 2.015 0 C-N-CA 126.124 1.77 . . . . 0.0 111.918 172.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -69.74 -33.8 57.96 Favored 'Isoleucine or valine' 0 C--N 1.369 1.428 0 CA-C-N 114.676 -1.147 . . . . 0.0 114.063 176.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -71.42 -29.93 65.48 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 170.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.444 ' OD1' ' HG2' ' A' ' 93' ' ' LYS . 8.6 m-20 -69.71 -39.14 77.05 Favored 'General case' 0 C--N 1.372 1.547 0 O-C-N 120.312 -1.492 . . . . 0.0 112.118 171.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.72 -46.28 88.86 Favored 'General case' 0 C--N 1.373 1.623 0 C-N-CA 126.78 2.032 . . . . 0.0 112.45 172.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.261 0.0 OUTLIER -69.13 -25.38 64.36 Favored 'General case' 0 C--N 1.363 1.167 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 172.66 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.548 ' HB2' ' HD3' ' A' ' 93' ' ' LYS . 14.1 m -84.68 -21.84 30.02 Favored 'General case' 0 C--N 1.385 2.111 0 CA-C-N 120.023 1.283 . . . . 0.0 114.214 177.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.513 ' CD2' ' HB2' ' A' ' 89' ' ' ALA . 43.4 t80 -75.8 98.08 4.06 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.425 ' HG3' ' HD3' ' A' ' 23' ' ' PRO 0.314 6.6 pt20 -42.36 -44.39 8.99 Favored Pre-proline 0 C--N 1.369 1.439 0 N-CA-C 118.567 2.803 . . . . 0.0 118.567 178.729 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.425 ' HD3' ' HG3' ' A' ' 22' ' ' GLN . 16.7 Cg_exo -65.4 -21.95 60.21 Favored 'Trans proline' 0 C--N 1.363 1.333 0 C-N-CA 124.703 3.602 . . . . 0.0 116.264 170.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.403 HD23 ' HB2' ' A' ' 89' ' ' ALA 0.405 3.4 pp -86.89 -18.28 31.22 Favored 'General case' 0 C--N 1.382 2.02 0 CA-C-N 124.342 3.247 . . . . 0.0 113.269 176.685 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 84.7 mmm -67.19 -28.61 68.24 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 127.237 2.215 . . . . 0.0 115.0 174.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -78.07 -25.64 47.77 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 127.158 2.183 . . . . 0.0 112.9 177.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 48.3 tpp -102.79 -40.15 6.69 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 125.21 1.404 . . . . 0.0 114.6 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.435 HG13 HH12 ' A' ' 85' ' ' ARG . 11.4 m -121.61 142.66 36.93 Favored 'Isoleucine or valine' 0 C--N 1.372 1.566 0 O-C-N 117.923 -2.986 . . . . 0.0 107.171 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -102.63 -36.61 8.28 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-O 125.722 2.677 . . . . 0.0 111.83 -178.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -98.24 37.06 1.49 Allowed 'General case' 0 N--CA 1.435 -1.207 1 C-N-CA 136.275 5.83 . . . . 0.0 111.159 -172.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 31' ' ' VAL . 1.1 p -87.93 106.52 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.159 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 172.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.9 t -146.45 168.73 20.46 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-O 123.082 1.42 . . . . 0.0 113.612 -165.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -98.78 -16.51 18.89 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 127.802 2.441 . . . . 0.0 113.137 178.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.6 m -174.4 -68.6 0.0 OUTLIER Pre-proline 0 C--N 1.36 1.046 0 CA-C-O 116.89 -1.529 . . . . 0.0 110.603 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -73.13 137.2 25.88 Favored 'Trans proline' 0 C--N 1.363 1.326 0 CA-C-N 126.84 3.479 . . . . 0.0 112.451 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.43 12.32 38.93 Favored Glycine 0 C--N 1.356 1.689 0 O-C-N 120.665 -1.272 . . . . 0.0 111.83 -174.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -23.38 29.85 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 128.011 2.524 . . . . 0.0 116.31 -176.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -105.89 15.43 26.63 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 127.647 2.379 . . . . 0.0 110.014 -177.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -89.84 164.9 26.91 Favored Pre-proline 0 C--N 1.359 1.009 0 C-N-CA 125.851 1.66 . . . . 0.0 110.675 177.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -74.6 155.4 44.9 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 124.178 3.252 . . . . 0.0 115.142 -175.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -68.59 142.22 93.86 Favored Pre-proline 0 C--N 1.362 1.123 0 C-N-CA 129.042 2.937 . . . . 0.0 114.397 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -85.7 148.53 44.46 Favored 'Cis proline' 0 CA--C 1.546 1.082 0 CA-C-N 122.422 1.901 . . . . 0.0 115.329 5.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -168.35 167.85 11.72 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 124.993 1.317 . . . . 0.0 113.458 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.434 HG22 HG23 ' A' ' 70' ' ' VAL . 44.7 t -132.21 131.7 60.93 Favored 'Isoleucine or valine' 0 C--N 1.395 2.554 0 O-C-N 121.09 -1.007 . . . . 0.0 110.504 179.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.419 HG22 ' CH2' ' A' ' 71' ' ' TRP . 25.3 m -121.92 151.72 25.59 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 O-C-N 119.817 -1.802 . . . . 0.0 109.955 177.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.6 mt -82.68 139.9 17.15 Favored 'Isoleucine or valine' 0 C--N 1.368 1.39 0 C-N-CA 125.481 1.512 . . . . 0.0 107.871 165.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.84 -152.59 6.11 Favored Glycine 0 N--CA 1.441 -0.997 0 N-CA-C 106.234 -2.746 . . . . 0.0 106.234 174.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -146.86 151.9 37.83 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 176.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? . . . . . 0 C--N 1.359 1.009 0 C-N-CA 125.744 1.617 . . . . 0.0 108.664 -178.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 N--CA 1.448 -0.548 0 CA-C-O 122.052 0.929 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.401 HG13 ' HB3' ' A' ' 7' ' ' SER . 0.2 OUTLIER -108.37 125.05 65.16 Favored 'Isoleucine or valine' 0 C--N 1.366 1.301 0 C-N-CA 128.925 2.89 . . . . 0.0 103.818 177.686 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 p -130.41 124.48 32.23 Favored 'General case' 0 C--N 1.356 0.888 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.3 ptm -145.63 157.73 43.93 Favored 'General case' 0 C--N 1.366 1.324 0 O-C-N 121.239 -0.913 . . . . 0.0 111.83 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -134.41 143.17 47.42 Favored 'General case' 0 C--N 1.369 1.42 0 CA-C-O 122.197 0.999 . . . . 0.0 109.239 172.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.25 0.1 OUTLIER -120.9 130.36 53.86 Favored 'General case' 0 CA--C 1.559 1.296 0 N-CA-C 102.424 -3.176 . . . . 0.0 102.424 169.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -113.32 121.03 43.16 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 127.367 2.267 . . . . 0.0 106.305 -174.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.434 HG23 HG22 ' A' ' 44' ' ' VAL . 2.8 p -119.72 120.52 63.63 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.93 0 C-N-CA 126.266 1.826 . . . . 0.0 107.454 -170.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.419 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -134.97 138.37 43.95 Favored 'General case' 0 C--N 1.37 1.461 0 C-N-CA 117.523 -1.671 . . . . 0.0 109.818 -178.865 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -138.75 90.29 0.2 Allowed Glycine 0 C--N 1.356 1.689 0 N-CA-C 107.528 -2.229 . . . . 0.0 107.528 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.71 45.26 3.37 Favored Glycine 0 C--N 1.359 1.86 0 C-N-CA 126.534 2.016 . . . . 0.0 115.673 -176.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.3 m -105.8 -48.07 3.73 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 128.0 2.52 . . . . 0.0 111.838 -177.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.3 m -163.38 153.74 15.88 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 104.181 -2.525 . . . . 0.0 104.181 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.529 ' H ' ' HD2' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -57.4 -34.61 69.07 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 130.796 3.638 . . . . 0.0 115.231 177.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.83 -35.65 81.8 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 126.945 2.098 . . . . 0.0 114.357 173.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.99 -33.52 74.47 Favored 'General case' 0 C--N 1.371 1.522 0 C-N-CA 127.919 2.488 . . . . 0.0 113.756 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.418 ' HA ' HG12 ' A' ' 82' ' ' ILE . . . -63.1 -32.41 73.78 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 126.689 1.996 . . . . 0.0 114.541 175.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -73.63 -42.45 61.43 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 128.417 2.687 . . . . 0.0 111.137 174.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -67.06 -50.87 60.39 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 127.864 2.466 . . . . 0.0 112.871 176.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.418 HG12 ' HA ' ' A' ' 79' ' ' ALA 0.355 19.6 pt -62.11 -37.02 77.4 Favored 'Isoleucine or valine' 0 C--N 1.373 1.62 0 C-N-CA 125.857 1.663 . . . . 0.0 114.851 175.398 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.1 t -62.45 -50.72 70.34 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 127.601 2.361 . . . . 0.0 112.698 169.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.2 m -61.04 -42.0 97.65 Favored 'General case' 0 C--N 1.37 1.498 0 C-N-CA 127.734 2.414 . . . . 0.0 112.553 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.435 HH12 HG13 ' A' ' 28' ' ' VAL . 22.9 ttp180 -66.31 -46.91 75.27 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 129.365 3.066 . . . . 0.0 112.92 173.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.426 3.5 p -70.31 -40.8 78.27 Favored 'Isoleucine or valine' 0 C--N 1.37 1.495 0 O-C-N 119.568 -1.957 . . . . 0.0 116.051 175.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.411 1.5 pp -68.8 -33.18 73.42 Favored 'General case' 0 C--N 1.382 1.999 0 O-C-N 119.063 -2.273 . . . . 0.0 113.862 172.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -63.51 -47.2 82.68 Favored 'General case' 0 C--N 1.377 1.77 0 CA-C-O 116.774 -1.584 . . . . 0.0 111.994 170.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.513 ' HB2' ' CD2' ' A' ' 21' ' ' TYR . . . -54.45 -47.88 72.39 Favored 'General case' 0 C--N 1.375 1.712 0 C-N-CA 126.892 2.077 . . . . 0.0 115.636 169.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.6 mt -55.89 -38.69 70.51 Favored 'General case' 0 C--N 1.379 1.853 0 C-N-CA 126.805 2.042 . . . . 0.0 115.673 176.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.576 0.2 OUTLIER -107.85 10.35 28.63 Favored 'General case' 0 C--N 1.368 1.406 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 169.094 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -47.21 22.23 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 124.281 1.991 . . . . 0.0 107.247 177.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.548 ' HD3' ' HB2' ' A' ' 20' ' ' SER . 16.3 tttm -118.81 123.43 29.05 Favored Pre-proline 0 N--CA 1.429 -1.5 0 N-CA-C 102.043 -3.317 . . . . 0.0 102.043 176.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.4 151.36 25.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 124.217 3.278 . . . . 0.0 111.192 -175.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.37 106.64 18.38 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-O 124.443 2.068 . . . . 0.0 108.711 178.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 61.9 ttp -143.28 141.66 31.09 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 102.899 -3.0 . . . . 0.0 102.899 -175.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -127.98 113.31 15.67 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.021 1.329 . . . . 0.0 107.599 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 67.82 12.85 9.02 Favored 'General case' 0 C--N 1.362 1.118 0 C-N-CA 130.328 3.451 . . . . 0.0 115.797 175.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.15 -2.21 35.2 Favored Glycine 0 C--N 1.352 1.418 0 C-N-CA 126.204 1.859 . . . . 0.0 111.614 -171.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -90.49 124.32 34.9 Favored 'General case' 0 C--N 1.368 1.402 0 CA-C-N 119.262 1.531 . . . . 0.0 110.977 -178.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.1 m -108.8 153.83 22.93 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 125.11 1.364 . . . . 0.0 110.227 -176.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.483 ' CG ' HD22 ' A' ' 10' ' ' LEU . 10.7 m-85 -131.0 156.18 45.57 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 125.62 1.568 . . . . 0.0 107.189 -173.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.8 t -106.54 119.98 56.91 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 -176.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.46 115.72 20.92 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 124.282 1.033 . . . . 0.0 110.478 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.3 tttm . . . . . 0 C--N 1.358 0.937 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -171.873 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 . . . . . 0 N--CA 1.441 -0.881 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -119.17 123.26 5.6 Favored Glycine 0 C--N 1.364 2.114 0 N-CA-C 105.823 -2.911 . . . . 0.0 105.823 172.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 20.3 tt -117.59 115.77 49.68 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 N-CA-C 103.85 -2.648 . . . . 0.0 103.85 178.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 48.5 mt -119.54 118.83 58.6 Favored 'Isoleucine or valine' 0 C--N 1.364 1.239 0 N-CA-C 106.071 -1.825 . . . . 0.0 106.071 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.4 tttp -107.1 139.52 41.39 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 173.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 62.0 t -126.5 141.1 46.95 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 169.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -112.88 133.94 54.62 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 128.385 2.674 . . . . 0.0 105.254 173.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -130.11 125.57 35.45 Favored 'General case' 0 CA--C 1.5 -0.98 0 N-CA-C 102.557 -3.127 . . . . 0.0 102.557 -177.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 37.3 m -120.62 141.04 50.71 Favored 'General case' 0 C--N 1.343 0.295 0 N-CA-C 105.173 -2.158 . . . . 0.0 105.173 -177.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.1 pt . . . . . 0 CA--C 1.502 -0.898 0 N-CA-C 104.277 -2.49 . . . . 0.0 104.277 178.485 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 . . . . . 0 N--CA 1.441 -0.884 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -134.79 62.88 0.61 Allowed Glycine 0 C--N 1.352 1.443 0 C-N-CA 126.765 2.126 . . . . 0.0 110.868 -177.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 93.8 mt -110.5 -68.6 0.92 Allowed 'General case' 0 C--N 1.354 0.796 0 C-N-CA 124.852 1.261 . . . . 0.0 109.287 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -139.65 40.3 2.02 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.99 28.28 0.04 OUTLIER 'General case' 0 C--N 1.36 1.029 0 C-N-CA 128.488 2.715 . . . . 0.0 117.112 -176.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -107.27 -94.73 0.38 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 127.217 2.207 . . . . 0.0 108.158 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm 55.15 -88.89 0.02 OUTLIER 'General case' 0 C--N 1.355 0.847 0 C-N-CA 130.842 3.657 . . . . 0.0 115.56 177.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.501 HD13 ' H ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -73.19 -25.53 60.81 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 127.571 2.349 . . . . 0.0 113.286 171.055 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.76 -39.99 79.99 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 125.065 1.346 . . . . 0.0 114.042 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -46.36 90.18 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 127.536 2.334 . . . . 0.0 113.837 175.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.667 1.1 tpt180 -72.55 -36.43 68.25 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-O 124.709 2.195 . . . . 0.0 114.145 176.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.64 -23.68 52.46 Favored 'General case' 0 CA--C 1.567 1.606 0 O-C-N 119.436 -2.04 . . . . 0.0 115.263 163.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.568 ' CD2' HG21 ' A' ' 64' ' ' ILE 0.301 0.2 OUTLIER -63.6 -29.58 70.81 Favored 'General case' 0 C--N 1.385 2.136 0 O-C-N 119.019 -2.301 . . . . 0.0 113.33 165.077 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.251 2.2 tt0 -69.32 -37.14 77.59 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 126.21 1.804 . . . . 0.0 110.072 171.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -63.99 -36.86 85.36 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 166.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.0 -33.52 68.16 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 127.321 2.248 . . . . 0.0 111.679 174.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.403 ' HA ' ' OD1' ' A' ' 17' ' ' ASN . 57.1 m -70.42 -39.24 74.53 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 127.54 2.336 . . . . 0.0 110.89 173.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.1 t -65.42 -30.84 51.43 Favored 'Isoleucine or valine' 0 C--N 1.374 1.635 0 O-C-N 120.154 -1.591 . . . . 0.0 111.432 168.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -68.53 -36.18 78.47 Favored 'General case' 0 C--N 1.368 1.378 0 O-C-N 119.686 -1.884 . . . . 0.0 115.506 170.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.491 ' HB3' ' HG2' ' A' ' 93' ' ' LYS 0.302 1.2 p-10 -68.82 -36.39 78.15 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 121.057 1.753 . . . . 0.0 113.371 165.651 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.03 -40.38 95.51 Favored 'General case' 0 C--N 1.376 1.734 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 171.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -77.5 -27.27 51.79 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 124.488 1.115 . . . . 0.0 113.127 173.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 m -80.89 -20.53 42.0 Favored 'General case' 0 C--N 1.378 1.823 0 O-C-N 120.624 -1.297 . . . . 0.0 113.122 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -88.69 93.13 9.46 Favored 'General case' 0 C--N 1.36 1.044 0 CA-C-O 124.658 2.17 . . . . 0.0 112.546 -178.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.289 5.4 pt20 -51.78 -39.57 62.72 Favored Pre-proline 0 C--N 1.362 1.11 0 C-N-CA 129.88 3.272 . . . . 0.0 118.363 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -65.08 -19.59 63.32 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 124.777 3.651 . . . . 0.0 115.417 169.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 tt -78.86 -43.85 24.15 Favored 'General case' 0 C--N 1.376 1.726 0 CA-C-N 122.493 2.406 . . . . 0.0 114.475 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.4 ptm -57.88 -25.97 61.48 Favored 'General case' 0 C--N 1.357 0.905 1 C-N-CA 132.048 4.139 . . . . 0.0 116.521 175.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -82.29 -22.01 35.9 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 126.207 1.803 . . . . 0.0 111.233 173.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 45.3 ttm -92.68 -30.95 15.3 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 127.893 2.477 . . . . 0.0 112.897 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.439 HG21 HG13 ' A' ' 31' ' ' VAL . 5.4 m -123.64 148.84 27.54 Favored 'Isoleucine or valine' 0 C--N 1.365 1.246 0 O-C-N 120.057 -1.652 . . . . 0.0 107.395 175.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -99.51 -8.52 24.51 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 118.84 -2.412 . . . . 0.0 109.702 170.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.627 ' HB3' ' HB2' ' A' ' 43' ' ' TYR 0.761 0.0 OUTLIER -122.88 40.96 3.57 Favored 'General case' 0 CA--C 1.478 -1.793 0 N-CA-C 121.523 3.897 . . . . 0.0 121.523 -158.834 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.439 HG13 HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -85.83 107.75 16.69 Favored 'Isoleucine or valine' 0 C--N 1.373 1.629 0 CA-C-N 123.022 2.647 . . . . 0.0 105.672 176.297 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.3 t -137.1 153.78 50.45 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 111.142 -2.754 . . . . 0.0 109.443 -173.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -92.14 45.95 1.24 Allowed 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.076 -1.64 . . . . 0.0 113.879 -178.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.429 16.9 m 116.98 -59.33 0.0 OUTLIER Pre-proline 0 C--N 1.358 0.948 0 C-N-CA 128.917 2.887 . . . . 0.0 112.779 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -72.41 136.43 26.28 Favored 'Trans proline' 0 C--N 1.359 1.126 0 CA-C-N 127.377 3.67 . . . . 0.0 114.386 -175.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.67 46.57 0.72 Allowed Glycine 0 C--N 1.355 1.629 0 N-CA-C 109.211 -1.556 . . . . 0.0 109.211 -177.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.25 -21.66 33.28 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 127.126 2.17 . . . . 0.0 112.359 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -104.74 16.02 26.81 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 129.641 3.177 . . . . 0.0 111.245 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.87 162.42 28.95 Favored Pre-proline 0 C--N 1.363 1.153 0 C-N-CA 124.729 1.211 . . . . 0.0 110.874 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -64.29 147.14 90.98 Favored 'Trans proline' 0 C--N 1.363 1.318 0 C-N-CA 124.249 3.299 . . . . 0.0 117.842 -167.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -87.04 137.41 33.14 Favored Pre-proline 0 C--N 1.35 0.595 0 C-N-CA 128.731 2.812 . . . . 0.0 111.021 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -75.84 148.22 89.8 Favored 'Cis proline' 0 C--N 1.363 1.314 0 CA-C-N 123.983 2.458 . . . . 0.0 113.447 -0.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.627 ' HB2' ' HB3' ' A' ' 30' ' ' GLN . 2.1 p90 -169.68 166.14 9.91 Favored 'General case' 0 CA--C 1.579 2.084 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 -175.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.422 HG13 ' HA ' ' A' ' 31' ' ' VAL . 2.4 p -138.97 135.05 42.53 Favored 'Isoleucine or valine' 0 C--N 1.407 3.076 0 N-CA-C 117.736 2.495 . . . . 0.0 117.736 -176.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.1 m -115.15 140.41 36.61 Favored 'Isoleucine or valine' 0 C--N 1.36 1.031 0 O-C-N 119.359 -2.088 . . . . 0.0 110.543 171.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 52.1 mt -96.44 138.96 20.32 Favored 'Isoleucine or valine' 0 C--N 1.366 1.293 0 C-N-CA 126.715 2.006 . . . . 0.0 109.958 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 179.24 -124.85 0.93 Allowed Glycine 0 C--N 1.365 2.139 0 C-N-CA 124.762 1.172 . . . . 0.0 114.44 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -145.14 162.14 37.78 Favored 'General case' 0 C--N 1.368 1.412 0 C-N-CA 127.219 2.207 . . . . 0.0 108.589 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -110.66 137.79 47.88 Favored 'General case' 0 C--N 1.362 1.141 0 C-N-CA 125.087 1.355 . . . . 0.0 110.682 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.4 t 60.06 -140.63 0.61 Allowed 'General case' 0 C--N 1.366 1.296 0 C-N-CA 128.174 2.59 . . . . 0.0 115.719 177.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.8 t -99.43 49.59 0.94 Allowed 'General case' 0 C--N 1.356 0.86 0 C-N-CA 126.479 1.912 . . . . 0.0 109.123 174.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.6 m -68.88 -60.7 4.17 Favored Pre-proline 0 C--N 1.366 1.286 0 C-N-CA 127.273 2.229 . . . . 0.0 112.18 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -81.16 113.93 2.76 Favored 'Trans proline' 0 CA--C 1.549 1.234 0 CA-C-N 125.896 3.142 . . . . 0.0 110.58 170.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -126.54 122.4 35.03 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 125.373 1.469 . . . . 0.0 108.364 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . 0.267 46.9 mt-10 75.8 -40.74 0.41 Allowed 'General case' 0 C--N 1.365 1.274 0 C-N-CA 128.193 2.597 . . . . 0.0 114.714 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.4 t -133.21 160.91 35.88 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 128.564 2.746 . . . . 0.0 105.235 174.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -111.22 21.08 16.71 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 125.026 1.331 . . . . 0.0 110.393 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.7 p -101.75 106.73 17.78 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 126.887 2.075 . . . . 0.0 114.768 -175.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.3 m -59.97 56.11 0.01 OUTLIER 'General case' 0 C--N 1.363 1.163 0 C-N-CA 130.353 3.461 . . . . 0.0 118.803 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . 0.278 22.9 t80 87.45 -74.14 0.02 OUTLIER 'General case' 0 C--N 1.356 0.864 0 C-N-CA 129.537 3.135 . . . . 0.0 112.692 177.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -167.88 -77.16 0.04 OUTLIER Glycine 0 C--N 1.349 1.251 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -178.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -91.12 71.25 6.3 Favored 'General case' 0 C--N 1.358 0.939 0 C-N-CA 127.315 2.246 . . . . 0.0 112.199 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -164.31 150.25 10.74 Favored 'General case' 0 N--CA 1.447 -0.587 0 O-C-N 120.415 -1.428 . . . . 0.0 110.139 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.568 HG21 ' CD2' ' A' ' 10' ' ' LEU . 4.2 mp -123.25 131.65 72.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 C-N-CA 131.191 3.796 . . . . 0.0 102.741 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.2 m -131.54 136.11 47.59 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 118.888 -2.383 . . . . 0.0 109.229 -176.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.7 ttt -145.93 126.71 14.38 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 124.632 1.173 . . . . 0.0 110.278 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -116.73 151.06 37.18 Favored 'General case' 0 C--N 1.361 1.076 0 CA-C-O 122.74 1.257 . . . . 0.0 108.281 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.456 ' CZ ' HD11 ' A' ' 90' ' ' LEU . 1.2 m-85 -129.09 133.97 47.89 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 128.169 2.587 . . . . 0.0 105.729 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -126.21 119.13 26.68 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 125.462 1.505 . . . . 0.0 107.107 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.1 t -120.72 128.65 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.062 0 C-N-CA 124.906 1.282 . . . . 0.0 109.274 -170.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -122.19 106.63 11.31 Favored 'General case' 0 C--N 1.362 1.147 0 N-CA-C 106.86 -1.534 . . . . 0.0 106.86 173.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -85.91 -53.51 2.99 Favored Glycine 0 C--N 1.364 2.105 0 C-N-CA 126.831 2.158 . . . . 0.0 109.749 176.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.6 40.18 15.94 Favored Glycine 0 C--N 1.365 2.162 0 C-N-CA 126.39 1.948 . . . . 0.0 116.034 175.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.6 p -127.64 -119.52 0.25 Allowed 'General case' 0 C--N 1.358 0.973 0 CA-C-N 118.54 1.17 . . . . 0.0 111.162 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 p -122.39 168.92 11.49 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 127.019 2.127 . . . . 0.0 111.204 -172.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.05 -36.08 37.92 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 131.009 3.724 . . . . 0.0 119.26 -166.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.19 -35.64 78.31 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 127.787 2.435 . . . . 0.0 114.463 175.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -71.03 -33.08 69.98 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 126.691 1.996 . . . . 0.0 113.265 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.57 78.51 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 126.369 1.868 . . . . 0.0 113.686 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -77.45 -33.94 54.58 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 124.845 1.258 . . . . 0.0 112.309 172.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -66.42 -46.0 77.98 Favored 'General case' 0 C--N 1.372 1.582 0 C-N-CA 126.43 1.892 . . . . 0.0 112.812 171.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.7 pt -65.75 -42.76 93.12 Favored 'Isoleucine or valine' 0 C--N 1.373 1.596 0 CA-C-N 121.255 1.843 . . . . 0.0 113.838 173.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . 0.346 68.6 p -68.59 -44.04 75.21 Favored 'General case' 0 C--N 1.376 1.753 0 C-N-CA 125.965 1.706 . . . . 0.0 113.853 175.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.9 t -68.2 -36.16 79.13 Favored 'General case' 0 C--N 1.371 1.531 0 O-C-N 119.956 -1.715 . . . . 0.0 113.105 172.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -66.42 -42.94 87.02 Favored 'General case' 0 C--N 1.371 1.502 0 C-N-CA 125.048 1.339 . . . . 0.0 112.681 174.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.351 0.7 OUTLIER -64.64 -43.2 96.67 Favored 'Isoleucine or valine' 0 C--N 1.382 2.016 0 CA-C-N 120.375 1.443 . . . . 0.0 113.877 173.116 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.41 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 10.5 mp -71.54 -36.8 71.11 Favored 'General case' 0 C--N 1.378 1.844 0 O-C-N 119.233 -2.167 . . . . 0.0 113.016 174.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.31 -34.3 75.01 Favored 'General case' 0 C--N 1.38 1.908 0 C-N-CA 126.362 1.865 . . . . 0.0 112.28 172.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.44 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -67.25 -51.67 50.2 Favored 'General case' 0 C--N 1.372 1.567 0 CA-C-O 122.055 0.931 . . . . 0.0 111.691 167.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.456 HD11 ' CZ ' ' A' ' 68' ' ' PHE . 4.3 mp -49.76 -30.15 8.98 Favored 'General case' 0 C--N 1.374 1.659 0 C-N-CA 128.939 2.895 . . . . 0.0 118.05 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.352 0.2 OUTLIER -117.97 9.53 12.83 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 124.921 1.289 . . . . 0.0 112.039 169.347 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.44 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -71.61 -49.86 36.25 Favored 'General case' 0 C--N 1.372 1.572 0 O-C-N 119.02 -2.3 . . . . 0.0 107.578 176.58 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.491 ' HG2' ' HB3' ' A' ' 17' ' ' ASN 0.348 5.7 ptpt -115.52 122.31 33.14 Favored Pre-proline 0 C--N 1.356 0.89 0 N-CA-C 104.641 -2.355 . . . . 0.0 104.641 171.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -62.11 147.83 94.33 Favored 'Trans proline' 0 C--N 1.37 1.688 0 C-N-CA 124.73 3.62 . . . . 0.0 115.109 -173.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 60.8 mt -83.22 107.79 16.01 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-O 123.949 1.833 . . . . 0.0 115.542 -172.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 46.3 ttm -143.62 153.48 42.57 Favored 'General case' 0 N--CA 1.424 -1.731 0 N-CA-C 105.19 -2.152 . . . . 0.0 105.19 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -133.49 145.83 50.54 Favored 'General case' 0 N--CA 1.442 -0.863 1 C-N-CA 131.9 4.08 . . . . 0.0 101.167 178.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -49.64 77.59 0.0 OUTLIER 'General case' 0 C--N 1.349 0.58 1 C-N-CA 133.45 4.7 . . . . 0.0 117.157 -173.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 106.96 -6.4 37.27 Favored Glycine 0 C--N 1.353 1.512 0 C-N-CA 127.61 2.529 . . . . 0.0 112.651 -175.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -122.35 125.47 46.01 Favored 'General case' 0 C--N 1.367 1.356 0 CA-C-N 118.708 1.254 . . . . 0.0 114.262 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.1 m -115.3 144.02 44.39 Favored 'General case' 0 C--N 1.364 1.202 0 O-C-N 120.003 -1.686 . . . . 0.0 110.261 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.22 143.72 27.2 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 129.972 3.309 . . . . 0.0 104.319 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 37.7 t -114.99 139.67 40.05 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 C-N-CA 126.683 1.993 . . . . 0.0 109.008 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.62 108.82 14.59 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 125.029 1.332 . . . . 0.0 109.37 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -141.76 98.18 3.29 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 125.651 1.58 . . . . 0.0 107.6 -170.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -160.02 163.87 33.67 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 125.549 1.54 . . . . 0.0 107.792 -175.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -132.14 115.99 16.44 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 126.419 1.888 . . . . 0.0 107.272 177.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.2 m -149.06 173.07 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.056 0 C-N-CA 126.39 1.876 . . . . 0.0 107.328 -175.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.9 tp -156.16 144.27 19.77 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 174.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.24 123.34 24.12 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 101.541 -3.503 . . . . 0.0 101.541 174.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -100.3 136.5 40.09 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 124.912 1.285 . . . . 0.0 110.666 -174.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 34.8 m -100.2 119.4 48.22 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 C-N-CA 125.311 1.444 . . . . 0.0 108.326 177.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.421 ' H ' ' HE3' ' A' ' 121' ' ' LYS . 3.2 pt -141.15 156.87 22.17 Favored 'Isoleucine or valine' 0 C--N 1.359 0.985 0 O-C-N 120.137 -1.602 . . . . 0.0 110.796 -175.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 59.8 m -120.14 122.86 41.95 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 104.924 -2.25 . . . . 0.0 104.924 177.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -116.87 147.01 42.55 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 120.636 -1.29 . . . . 0.0 111.08 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.1 p -62.46 -20.45 64.55 Favored 'General case' 0 C--N 1.361 1.09 1 C-N-CA 131.881 4.073 . . . . 0.0 115.53 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -85.56 -13.32 49.24 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 128.288 2.635 . . . . 0.0 112.968 176.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.71 48.07 4.32 Favored Glycine 0 C--N 1.37 2.456 0 N-CA-C 117.885 1.914 . . . . 0.0 117.885 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 6.4 p -81.82 148.83 5.09 Favored 'Isoleucine or valine' 0 C--N 1.36 1.059 0 C-N-CA 125.891 1.676 . . . . 0.0 113.517 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.4 HG22 ' H ' ' A' ' 120' ' ' THR . 3.6 t -73.12 151.27 41.66 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 128.478 2.711 . . . . 0.0 110.765 174.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.421 ' HE3' ' H ' ' A' ' 113' ' ' ILE . 0.0 OUTLIER -96.42 115.02 26.75 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-O 123.327 1.537 . . . . 0.0 110.676 173.274 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -128.87 148.92 50.94 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 128.166 2.586 . . . . 0.0 108.051 -177.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -122.18 124.26 5.68 Favored Glycine 0 C--N 1.357 1.716 0 N-CA-C 108.002 -2.039 . . . . 0.0 108.002 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -116.22 118.76 59.84 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 N-CA-C 102.884 -3.006 . . . . 0.0 102.884 177.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.8 127.13 75.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 -173.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -123.49 120.28 32.45 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 18.0 t -125.47 141.61 44.81 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 CA-C-O 122.87 1.319 . . . . 0.0 108.001 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -132.54 140.25 48.22 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 126.432 1.893 . . . . 0.0 106.051 175.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -123.83 139.73 53.68 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 102.581 -3.118 . . . . 0.0 102.581 -176.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 52.5 m -122.77 137.77 54.83 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 121.241 0.543 . . . . 0.0 109.815 -172.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.1 pt -107.26 115.09 47.84 Favored 'Isoleucine or valine' 0 C--N 1.361 1.095 0 N-CA-C 100.833 -3.765 . . . . 0.0 100.833 171.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -165.3 -56.76 0.03 OUTLIER 'General case' 0 C--N 1.348 0.507 0 N-CA-C 104.239 -2.504 . . . . 0.0 104.239 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -134.13 66.71 1.53 Allowed 'General case' 0 C--N 1.362 1.132 0 N-CA-C 104.923 -2.251 . . . . 0.0 104.923 172.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -92.95 75.87 4.78 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 127.043 2.137 . . . . 0.0 112.848 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 61.5 p -66.14 93.36 0.2 Allowed 'General case' 0 C--N 1.353 0.724 0 C-N-CA 128.599 2.759 . . . . 0.0 115.202 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 1.365 0 N-CA-C 107.806 -2.118 . . . . 0.0 107.806 177.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 . . . . . 0 N--CA 1.439 -1.024 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -111.02 -20.53 7.11 Favored Glycine 0 C--N 1.353 1.488 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 163.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 3.0 pp -125.3 19.78 8.16 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 121.229 -1.159 . . . . 0.0 113.485 -175.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . 0.258 33.4 mt-30 73.13 77.09 0.14 Allowed 'General case' 0 C--N 1.36 1.059 0 C-N-CA 127.748 2.419 . . . . 0.0 113.917 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.4 m -104.52 128.42 52.47 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 125.863 1.665 . . . . 0.0 109.217 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -113.81 179.7 3.88 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 119.715 1.143 . . . . 0.0 109.711 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.287 56.2 tttm 74.5 -52.31 0.68 Allowed 'General case' 0 C--N 1.363 1.17 0 C-N-CA 127.777 2.431 . . . . 0.0 116.041 -178.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.5 tp -72.47 -25.5 61.45 Favored 'General case' 0 C--N 1.378 1.816 0 C-N-CA 126.201 1.8 . . . . 0.0 111.735 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.71 -35.07 68.09 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 129.132 2.973 . . . . 0.0 114.563 174.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 63.9 m -65.89 -48.2 72.28 Favored 'General case' 0 C--N 1.376 1.722 0 C-N-CA 126.062 1.745 . . . . 0.0 112.48 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.889 7.2 tpp85 -74.55 -37.03 63.11 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 118.631 -2.543 . . . . 0.0 117.576 170.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.422 ' HB1' ' CD1' ' A' ' 97' ' ' PHE . . . -54.85 -23.78 20.08 Favored 'General case' 0 CA--C 1.558 1.266 0 O-C-N 118.593 -2.567 . . . . 0.0 115.447 169.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.729 HD23 HG21 ' A' ' 64' ' ' ILE . 4.3 tp -60.11 -37.29 79.56 Favored 'General case' 0 C--N 1.375 1.681 0 C-N-CA 127.211 2.204 . . . . 0.0 112.505 163.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.28 -38.01 81.26 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 127.183 2.193 . . . . 0.0 110.251 176.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.464 0.0 OUTLIER -67.29 -30.76 70.7 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 116.427 2.01 . . . . 0.0 116.427 166.128 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.13 -33.83 68.1 Favored 'General case' 0 C--N 1.366 1.31 0 O-C-N 119.544 -1.972 . . . . 0.0 113.313 172.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.4 m -71.3 -34.87 71.01 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 128.709 2.804 . . . . 0.0 112.08 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.4 t -68.66 -31.21 49.99 Favored 'Isoleucine or valine' 0 C--N 1.37 1.46 0 C-N-CA 126.509 1.924 . . . . 0.0 109.157 168.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.409 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 10.8 tt0 -67.22 -31.81 72.43 Favored 'General case' 0 C--N 1.372 1.587 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 169.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.419 ' HA ' ' HG2' ' A' ' 93' ' ' LYS . 1.4 m120 -59.77 -49.92 75.83 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 125.435 1.494 . . . . 0.0 113.131 161.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.5 mp -55.93 -37.3 68.78 Favored 'General case' 0 C--N 1.369 1.446 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.409 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 10.8 pt-20 -90.18 -15.32 31.71 Favored 'General case' 0 C--N 1.369 1.417 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 173.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -90.95 -25.38 19.79 Favored 'General case' 0 C--N 1.381 1.971 0 CA-C-N 121.524 1.965 . . . . 0.0 110.805 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -75.91 103.34 5.94 Favored 'General case' 0 C--N 1.364 1.206 0 CA-C-O 122.931 1.348 . . . . 0.0 112.576 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -40.0 -49.44 5.99 Favored Pre-proline 0 C--N 1.364 1.199 1 C-N-CA 132.324 4.249 . . . . 0.0 117.864 -172.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.94 -22.85 62.4 Favored 'Trans proline' 0 C--N 1.358 1.037 0 C-N-CA 124.686 3.59 . . . . 0.0 114.808 173.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.8 mt -69.35 -20.97 63.84 Favored 'General case' 0 C--N 1.373 1.627 0 CA-C-N 121.851 2.114 . . . . 0.0 114.381 177.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 59.4 mtt -64.7 -29.77 70.77 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 128.127 2.571 . . . . 0.0 113.157 172.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -95.21 -30.14 14.15 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 128.169 2.588 . . . . 0.0 112.377 176.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.5 tpp -88.25 -31.05 19.23 Favored 'General case' 0 C--N 1.362 1.112 0 N-CA-C 119.028 2.973 . . . . 0.0 119.028 -173.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.672 HG23 ' HA ' ' A' ' 43' ' ' TYR . 2.2 p -131.03 147.15 33.06 Favored 'Isoleucine or valine' 0 C--N 1.367 1.347 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.25 8.9 t-20 -99.68 -27.18 13.79 Favored 'General case' 0 C--N 1.361 1.098 0 CA-C-O 124.708 2.194 . . . . 0.0 111.77 173.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.439 ' H ' HG22 ' A' ' 28' ' ' VAL 0.453 8.5 mm100 -120.74 39.91 3.66 Favored 'General case' 0 N--CA 1.423 -1.81 1 C-N-CA 133.152 4.581 . . . . 0.0 116.284 -152.101 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 p -87.63 110.05 20.25 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 CA-C-O 124.724 2.202 . . . . 0.0 107.032 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.0 t -142.02 149.02 39.44 Favored 'General case' 0 C--N 1.348 0.5 0 CA-C-N 112.315 -2.22 . . . . 0.0 109.428 -169.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -84.34 53.35 2.61 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -176.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.639 93.2 p 110.59 -60.65 0.0 OUTLIER Pre-proline 0 C--N 1.354 0.795 0 C-N-CA 128.677 2.791 . . . . 0.0 114.207 178.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -70.11 148.14 62.12 Favored 'Trans proline' 0 C--N 1.361 1.215 0 CA-C-N 127.444 3.694 . . . . 0.0 113.91 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.64 26.1 5.73 Favored Glycine 0 C--N 1.36 1.872 0 CA-C-N 119.221 0.919 . . . . 0.0 111.081 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -20.3 62.33 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 130.81 3.644 . . . . 0.0 113.669 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -106.46 15.33 26.09 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 127.735 2.414 . . . . 0.0 112.245 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.2 169.71 8.28 Favored Pre-proline 0 C--N 1.365 1.245 0 CA-C-O 117.082 -1.437 . . . . 0.0 111.536 -177.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.58 143.83 93.84 Favored 'Trans proline' 0 C--N 1.366 1.466 0 C-N-CA 125.208 3.939 . . . . 0.0 120.963 -168.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -91.26 137.8 26.02 Favored Pre-proline 0 C--N 1.356 0.886 0 C-N-CA 129.402 3.081 . . . . 0.0 112.009 -176.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.2 148.58 92.27 Favored 'Cis proline' 0 C--N 1.365 1.432 0 CA-C-N 123.916 2.434 . . . . 0.0 113.14 -3.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.672 ' HA ' HG23 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -171.46 167.15 6.81 Favored 'General case' 0 C--N 1.368 1.383 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -173.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.541 HG12 HG21 ' A' ' 28' ' ' VAL . 12.3 p -138.87 135.23 42.83 Favored 'Isoleucine or valine' 0 C--N 1.395 2.574 0 N-CA-C 117.523 2.416 . . . . 0.0 117.523 -176.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.42 HG22 ' CH2' ' A' ' 71' ' ' TRP . 18.1 m -113.05 134.76 54.68 Favored 'Isoleucine or valine' 0 C--N 1.366 1.309 0 O-C-N 120.198 -1.564 . . . . 0.0 108.674 168.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.9 mm -88.05 135.02 26.49 Favored 'Isoleucine or valine' 0 C--N 1.366 1.31 0 C-N-CA 127.262 2.225 . . . . 0.0 107.246 175.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -165.59 -142.33 3.39 Favored Glycine 0 C--N 1.347 1.192 0 O-C-N 120.236 -1.54 . . . . 0.0 112.389 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -145.33 144.22 30.59 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 125.172 1.389 . . . . 0.0 110.739 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -91.66 144.2 25.77 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 127.453 2.301 . . . . 0.0 108.024 176.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.2 p -74.94 85.42 2.25 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 125.542 1.537 . . . . 0.0 115.116 -178.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.9 m -32.67 28.95 0.0 OUTLIER 'General case' 0 C--N 1.373 1.608 2 C-N-CA 136.598 5.959 . . . . 0.0 122.155 -177.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.274 7.0 p -76.31 -58.69 1.18 Allowed Pre-proline 0 C--N 1.352 0.703 0 C-N-CA 129.877 3.271 . . . . 0.0 113.701 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -80.34 114.1 3.0 Favored 'Trans proline' 0 C--N 1.361 1.198 0 CA-C-N 126.138 3.228 . . . . 0.0 109.945 173.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.68 116.46 14.03 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 120.907 -1.121 . . . . 0.0 111.404 -176.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -120.73 -7.54 9.57 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 125.614 1.566 . . . . 0.0 114.136 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.5 p -122.36 108.68 13.5 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -151.49 111.56 4.09 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 122.958 1.361 . . . . 0.0 110.173 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.9 m 170.03 176.34 0.05 Allowed 'General case' 0 C--N 1.352 0.703 0 N-CA-C 100.306 -3.961 . . . . 0.0 100.306 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.6 t -164.71 -178.76 5.48 Favored 'General case' 0 C--N 1.358 0.96 0 CA-C-N 120.875 1.67 . . . . 0.0 108.467 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -122.53 -7.27 8.63 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 128.774 2.83 . . . . 0.0 111.278 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 169.31 -67.87 0.16 Allowed Glycine 0 C--N 1.358 1.752 0 O-C-N 120.272 -1.518 . . . . 0.0 112.089 176.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -146.33 158.63 43.91 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -134.27 152.02 51.59 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 122.877 1.322 . . . . 0.0 108.503 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.729 HG21 HD23 ' A' ' 10' ' ' LEU . 4.4 mp -122.06 127.02 75.19 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 N-CA-C 100.741 -3.8 . . . . 0.0 100.741 174.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.0 t -129.96 131.6 46.0 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.2 ttt -138.58 141.52 39.2 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 127.033 2.133 . . . . 0.0 107.984 -173.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.35 163.16 28.47 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-O 122.701 1.239 . . . . 0.0 109.352 177.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -135.55 141.86 45.28 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 126.447 1.899 . . . . 0.0 106.523 173.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -113.3 119.06 36.38 Favored 'General case' 0 C--N 1.363 1.184 0 N-CA-C 101.092 -3.67 . . . . 0.0 101.092 173.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.0 t -123.37 129.35 74.83 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.24 0 N-CA-C 104.535 -2.395 . . . . 0.0 104.535 -169.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.42 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -124.41 121.08 33.93 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 176.784 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.67 140.21 14.79 Favored Glycine 0 C--N 1.362 2.0 0 C-N-CA 125.109 1.338 . . . . 0.0 113.286 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -126.28 179.16 16.41 Favored Glycine 0 C--N 1.355 1.636 0 C-N-CA 126.398 1.951 . . . . 0.0 108.496 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.294 7.5 m 87.12 -81.51 0.01 OUTLIER 'General case' 0 C--N 1.359 0.981 0 C-N-CA 129.181 2.992 . . . . 0.0 110.424 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.0 p -144.12 172.76 12.45 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -59.23 -34.8 72.64 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 129.374 3.07 . . . . 0.0 116.32 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.7 -36.23 67.81 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 127.866 2.466 . . . . 0.0 113.545 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -71.54 -33.75 69.41 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.625 1.97 . . . . 0.0 113.366 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.04 -40.59 78.49 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 128.659 2.783 . . . . 0.0 112.898 169.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -66.31 -42.64 87.99 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 126.873 2.069 . . . . 0.0 111.992 175.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -58.72 -48.19 82.01 Favored 'General case' 0 C--N 1.377 1.784 0 C-N-CA 128.862 2.865 . . . . 0.0 112.956 172.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.284 7.1 pt -58.85 -40.7 80.74 Favored 'Isoleucine or valine' 0 C--N 1.378 1.829 0 CA-C-N 121.858 2.117 . . . . 0.0 113.496 172.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . 0.269 49.7 p -64.56 -46.73 81.52 Favored 'General case' 0 C--N 1.378 1.841 0 O-C-N 120.395 -1.441 . . . . 0.0 114.722 171.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.8 p -68.31 -39.13 82.12 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 126.147 1.779 . . . . 0.0 115.125 176.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 65.7 mmt-85 -71.41 -34.17 70.1 Favored 'General case' 0 C--N 1.378 1.822 0 C-N-CA 125.417 1.487 . . . . 0.0 112.84 173.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.415 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 46.8 t -67.51 -49.46 70.79 Favored 'Isoleucine or valine' 0 C--N 1.38 1.901 0 O-C-N 120.471 -1.393 . . . . 0.0 112.523 173.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.84 -40.33 97.11 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 119.598 -1.938 . . . . 0.0 113.187 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -62.25 -37.85 87.02 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 126.862 2.065 . . . . 0.0 112.679 170.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.517 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -62.3 -50.02 73.33 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 125.817 1.647 . . . . 0.0 112.131 171.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 86' ' ' VAL . 45.8 mt -49.45 -47.36 48.33 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 126.914 2.086 . . . . 0.0 115.401 177.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.466 0.2 OUTLIER -97.96 9.3 43.11 Favored 'General case' 0 C--N 1.375 1.678 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 167.511 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.517 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 0.1 OUTLIER -71.3 -54.83 9.49 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 118.109 -2.869 . . . . 0.0 108.782 175.02 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.419 ' HG2' ' HA ' ' A' ' 17' ' ' ASN 0.259 12.5 ptpt -111.71 146.82 35.49 Favored Pre-proline 0 C--N 1.369 1.422 0 C-N-CA 117.759 -1.576 . . . . 0.0 112.343 -178.246 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.34 125.68 10.97 Favored 'Trans proline' 0 C--N 1.369 1.627 0 C-N-CA 124.17 3.246 . . . . 0.0 111.318 -176.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.36 107.77 4.48 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 124.996 1.318 . . . . 0.0 112.109 -178.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 52.4 ttm -143.92 142.06 30.57 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 125.247 1.419 . . . . 0.0 108.02 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.422 ' CD1' ' HB1' ' A' ' 9' ' ' ALA . 46.4 t80 -136.97 111.91 8.91 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 104.38 -2.452 . . . . 0.0 104.38 176.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 59.31 28.58 17.95 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 129.775 3.23 . . . . 0.0 116.076 171.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.07 -0.71 64.41 Favored Glycine 0 C--N 1.354 1.534 0 C-N-CA 126.828 2.156 . . . . 0.0 113.009 -172.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -100.96 125.15 47.54 Favored 'General case' 0 C--N 1.364 1.198 0 CA-C-N 120.483 2.141 . . . . 0.0 110.302 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.2 p -97.82 144.09 27.77 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 128.328 2.651 . . . . 0.0 114.313 -175.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.96 140.51 38.28 Favored 'General case' 0 C--N 1.359 1.016 0 N-CA-C 105.198 -2.149 . . . . 0.0 105.198 177.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.2 t -106.62 119.13 55.61 Favored 'Isoleucine or valine' 0 C--N 1.36 1.028 0 C-N-CA 125.888 1.675 . . . . 0.0 109.407 -169.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.26 138.06 35.78 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 116.654 2.094 . . . . 0.0 116.654 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -104.31 108.32 19.66 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 101.254 -3.61 . . . . 0.0 101.254 166.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -70.13 -38.81 75.62 Favored 'General case' 0 C--N 1.369 1.434 0 N-CA-C 116.78 2.141 . . . . 0.0 116.78 -171.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.1 tp 69.0 67.51 0.28 Allowed 'General case' 0 C--N 1.363 1.187 0 C-N-CA 127.707 2.403 . . . . 0.0 111.464 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.6 t -74.19 54.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.365 1.247 0 C-N-CA 128.1 2.56 . . . . 0.0 113.968 -172.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.6 tp -106.08 61.63 0.65 Allowed 'General case' 0 C--N 1.356 0.879 0 C-N-CA 126.691 1.997 . . . . 0.0 108.662 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.42 79.1 9.57 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 127.15 2.18 . . . . 0.0 112.508 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -75.97 116.77 17.0 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 127.457 2.303 . . . . 0.0 113.254 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.5 t -100.11 122.54 52.13 Favored 'Isoleucine or valine' 0 C--N 1.359 0.991 0 C-N-CA 126.481 1.912 . . . . 0.0 107.599 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.64 137.18 51.58 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 C-N-CA 124.6 1.16 . . . . 0.0 108.359 -176.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 34.1 p -96.38 119.62 35.19 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 127.299 2.24 . . . . 0.0 111.449 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -101.36 125.26 47.98 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 124.943 1.297 . . . . 0.0 108.2 178.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.6 p -71.82 -27.81 63.16 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 127.073 2.149 . . . . 0.0 116.587 -175.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -90.26 -9.73 46.88 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.209 1.404 . . . . 0.0 112.976 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.49 -0.76 85.45 Favored Glycine 0 C--N 1.364 2.086 0 C-N-CA 124.99 1.281 . . . . 0.0 114.716 -177.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 9.6 p -85.46 144.13 10.22 Favored 'Isoleucine or valine' 0 C--N 1.362 1.15 0 C-N-CA 127.912 2.485 . . . . 0.0 111.18 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 19.1 p -90.08 151.31 21.68 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 129.413 3.085 . . . . 0.0 114.133 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -110.19 141.38 43.2 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 126.874 2.07 . . . . 0.0 107.418 174.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -93.31 143.06 26.63 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 126.856 2.062 . . . . 0.0 109.765 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -132.55 168.13 22.84 Favored Glycine 0 C--N 1.359 1.808 0 CA-C-O 122.392 0.995 . . . . 0.0 114.147 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 7.0 tt -126.6 140.18 49.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 N-CA-C 104.032 -2.581 . . . . 0.0 104.032 171.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 11.7 tt -140.54 138.28 35.98 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -112.13 141.02 46.33 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 126.313 1.845 . . . . 0.0 111.164 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.9 p -123.36 142.01 41.57 Favored 'Isoleucine or valine' 0 C--N 1.363 1.155 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -126.55 140.31 52.55 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 125.716 1.606 . . . . 0.0 109.554 -177.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.532 ' CG ' HD21 ' A' ' 10' ' ' LEU . 8.1 m-85 -131.1 141.42 50.15 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 119.578 -1.951 . . . . 0.0 107.009 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.1 p -111.64 145.08 39.85 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 128.458 2.703 . . . . 0.0 109.252 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 16.3 pt -82.5 144.09 10.87 Favored 'Isoleucine or valine' 0 C--N 1.365 1.27 0 O-C-N 120.478 -1.388 . . . . 0.0 113.906 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -168.53 -165.1 0.55 Allowed 'General case' 0 C--N 1.352 0.715 0 N-CA-C 101.393 -3.558 . . . . 0.0 101.393 177.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -90.26 -64.35 1.15 Allowed 'General case' 0 C--N 1.363 1.167 0 CA-C-N 120.012 1.278 . . . . 0.0 111.236 174.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -158.61 167.27 30.01 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 99.3 m -104.75 131.39 52.26 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 175.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.361 1.95 0 C-N-CA 125.045 1.307 . . . . 0.0 112.725 -178.251 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 . . . . . 0 N--CA 1.44 -0.96 0 CA-C-O 122.311 1.053 . . . . 0.0 108.573 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 78.11 -61.95 3.73 Favored Glycine 0 C--N 1.354 1.558 0 C-N-CA 126.835 2.159 . . . . 0.0 114.878 -177.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 35.4 tp 84.77 -55.8 0.1 Allowed 'General case' 0 C--N 1.367 1.356 0 C-N-CA 129.918 3.287 . . . . 0.0 111.051 -176.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -155.97 178.06 10.71 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 p -82.81 63.62 7.02 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 126.771 2.029 . . . . 0.0 112.873 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 46.6 p-90 -94.75 127.98 41.13 Favored 'General case' 0 C--N 1.365 1.248 0 C-N-CA 127.174 2.19 . . . . 0.0 111.055 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -99.75 130.9 46.0 Favored 'General case' 0 C--N 1.348 0.515 0 C-N-CA 125.581 1.552 . . . . 0.0 109.788 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.4 tp -64.83 -33.72 76.65 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 128.482 2.713 . . . . 0.0 115.057 -177.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.4 -40.6 81.23 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 126.154 1.782 . . . . 0.0 113.823 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.437 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 59.3 m -58.56 -47.4 84.35 Favored 'General case' 0 C--N 1.381 1.941 0 C-N-CA 125.624 1.57 . . . . 0.0 113.304 176.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.652 5.6 tpt180 -73.37 -36.59 66.12 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 117.615 2.45 . . . . 0.0 117.615 169.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.15 -22.47 4.28 Favored 'General case' 0 CA--C 1.566 1.559 0 O-C-N 117.608 -3.183 . . . . 0.0 115.316 168.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.505 HD23 HG21 ' A' ' 64' ' ' ILE . 7.4 tp -55.58 -38.79 69.85 Favored 'General case' 0 C--N 1.377 1.785 0 C-N-CA 126.771 2.028 . . . . 0.0 113.664 160.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -67.67 -36.9 81.56 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 129.068 2.947 . . . . 0.0 109.84 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -64.57 -35.64 81.65 Favored 'General case' 0 CA--C 1.559 1.305 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 166.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.29 -33.0 67.09 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.709 2.404 . . . . 0.0 113.199 172.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 48.6 m -70.98 -39.73 72.31 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 129.398 3.079 . . . . 0.0 110.03 173.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 t -66.0 -31.57 54.28 Favored 'Isoleucine or valine' 0 C--N 1.379 1.88 0 C-N-CA 125.847 1.659 . . . . 0.0 110.875 168.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.429 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 23.8 tt0 -68.58 -32.78 72.93 Favored 'General case' 0 C--N 1.372 1.583 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 170.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -62.27 -47.29 84.99 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 126.289 1.836 . . . . 0.0 112.515 162.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.9 mt -62.94 -32.59 73.94 Favored 'General case' 0 C--N 1.364 1.207 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 175.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.429 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 12.3 pt-20 -88.35 -23.18 23.47 Favored 'General case' 0 C--N 1.367 1.356 0 CA-C-O 118.484 -0.77 . . . . 0.0 112.512 172.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 t -87.28 -24.87 24.21 Favored 'General case' 0 C--N 1.385 2.112 0 CA-C-N 121.153 1.797 . . . . 0.0 112.685 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.407 ' HB2' ' CD2' ' A' ' 92' ' ' TYR . 31.0 t80 -80.91 94.88 6.58 Favored 'General case' 0 C--N 1.368 1.411 0 O-C-N 120.339 -1.476 . . . . 0.0 111.078 177.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.437 4.7 pt20 -40.63 -40.01 1.9 Allowed Pre-proline 0 C--N 1.363 1.154 0 N-CA-C 121.241 3.793 . . . . 0.0 121.241 -174.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -64.57 -20.55 65.72 Favored 'Trans proline' 0 CA--C 1.552 1.4 0 CA-C-N 126.609 3.396 . . . . 0.0 115.649 169.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.9 mt -77.19 -26.99 53.45 Favored 'General case' 0 C--N 1.373 1.62 0 CA-C-N 121.68 2.036 . . . . 0.0 112.995 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 82.4 mtp -62.71 -29.38 70.62 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 128.678 2.791 . . . . 0.0 113.942 176.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -94.9 -8.94 35.72 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 129.2 3.0 . . . . 0.0 111.588 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -99.75 -56.51 2.37 Favored 'General case' 0 C--N 1.36 1.065 0 C-N-CA 126.591 1.956 . . . . 0.0 113.01 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.534 HG23 ' HA ' ' A' ' 43' ' ' TYR . 2.5 p -121.12 144.38 30.34 Favored 'Isoleucine or valine' 0 C--N 1.359 1.01 0 O-C-N 119.192 -2.192 . . . . 0.0 109.304 -173.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.303 13.2 t-20 -102.21 -21.47 14.36 Favored 'General case' 0 C--N 1.35 0.607 1 C-N-CA 131.784 4.034 . . . . 0.0 114.202 -177.862 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.501 ' H ' HG22 ' A' ' 28' ' ' VAL . 6.2 mm-40 -136.02 39.38 2.75 Favored 'General case' 0 N--CA 1.432 -1.338 1 CA-C-N 108.341 -4.027 . . . . 0.0 110.63 -148.001 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.1 p -91.62 108.6 20.18 Favored 'Isoleucine or valine' 0 C--N 1.368 1.396 0 CA-C-O 123.248 1.499 . . . . 0.0 109.514 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 t -146.69 170.14 17.57 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 125.094 1.357 . . . . 0.0 112.423 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -91.36 96.86 10.75 Favored 'General case' 0 C--N 1.363 1.168 0 O-C-N 119.792 -1.817 . . . . 0.0 112.477 177.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.659 85.4 p 88.19 -70.01 0.0 OUTLIER Pre-proline 0 C--N 1.36 1.06 0 N-CA-C 119.087 2.995 . . . . 0.0 119.087 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -68.59 161.45 45.11 Favored 'Trans proline' 0 C--N 1.374 1.903 1 CA-C-N 128.937 4.227 . . . . 0.0 116.129 -177.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.12 -3.43 35.35 Favored Glycine 0 C--N 1.358 1.756 0 O-C-N 121.295 -0.878 . . . . 0.0 112.13 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.67 -30.43 5.49 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 129.844 3.258 . . . . 0.0 117.92 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -105.8 16.38 25.32 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 129.573 3.149 . . . . 0.0 112.721 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.64 163.12 25.39 Favored Pre-proline 0 C--N 1.362 1.12 0 O-C-N 120.134 -1.604 . . . . 0.0 109.607 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -64.79 135.42 44.72 Favored 'Trans proline' 0 C--N 1.361 1.22 0 C-N-CA 124.701 3.601 . . . . 0.0 116.429 -174.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -71.28 139.33 84.48 Favored Pre-proline 0 C--N 1.357 0.933 1 C-N-CA 135.195 5.398 . . . . 0.0 112.252 -175.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -83.75 148.93 60.01 Favored 'Cis proline' 0 C--N 1.366 1.46 0 CA-C-N 124.917 2.792 . . . . 0.0 113.548 1.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.534 ' HA ' HG23 ' A' ' 28' ' ' VAL 0.272 14.1 p90 -171.57 168.28 6.4 Favored 'General case' 0 CA--C 1.57 1.749 0 C-N-CA 125.081 1.353 . . . . 0.0 113.675 -176.77 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.0 t -135.36 131.55 51.72 Favored 'Isoleucine or valine' 0 C--N 1.397 2.661 0 CA-C-O 123.798 1.761 . . . . 0.0 114.714 -172.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.4 m -116.54 132.48 66.05 Favored 'Isoleucine or valine' 0 C--N 1.359 0.999 0 O-C-N 119.797 -1.814 . . . . 0.0 108.066 169.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.5 mt -92.92 134.09 31.97 Favored 'Isoleucine or valine' 0 C--N 1.364 1.2 0 C-N-CA 126.896 2.079 . . . . 0.0 108.205 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.24 -139.05 2.86 Favored Glycine 0 C--N 1.354 1.563 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -142.76 142.86 32.0 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 125.938 1.695 . . . . 0.0 110.646 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -130.86 170.8 13.93 Favored 'General case' 0 C--N 1.364 1.223 0 N-CA-C 102.973 -2.973 . . . . 0.0 102.973 171.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.2 t -114.62 164.76 13.58 Favored 'General case' 0 C--N 1.36 1.025 0 CA-C-N 121.53 1.968 . . . . 0.0 106.419 171.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.5 t -140.19 36.44 1.91 Allowed 'General case' 0 C--N 1.361 1.071 0 CA-C-N 119.097 0.862 . . . . 0.0 110.837 -177.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.36 80.4 p 102.47 133.43 0.01 OUTLIER Pre-proline 0 C--N 1.354 0.791 0 C-N-CA 130.306 3.442 . . . . 0.0 109.972 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -81.26 146.46 15.71 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 124.01 3.14 . . . . 0.0 112.648 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -135.88 150.31 49.31 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 105.068 -2.197 . . . . 0.0 105.068 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -122.28 135.94 54.82 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 124.878 1.271 . . . . 0.0 109.49 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.1 t -165.41 179.78 5.97 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -121.11 4.35 10.38 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 127.716 2.406 . . . . 0.0 110.59 177.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.5 p -99.28 36.19 1.78 Allowed 'General case' 0 C--N 1.359 0.983 0 C-N-CA 127.039 2.136 . . . . 0.0 112.067 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.3 p -119.67 21.04 12.19 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 125.308 1.443 . . . . 0.0 112.662 -173.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -108.01 93.07 4.34 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 125.169 1.388 . . . . 0.0 110.811 -177.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 169.28 -105.4 0.22 Allowed Glycine 0 C--N 1.351 1.384 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -136.28 118.3 15.34 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 124.971 1.308 . . . . 0.0 110.88 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -139.85 160.15 40.55 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 102.073 -3.306 . . . . 0.0 102.073 173.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.505 HG21 HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -137.37 122.12 24.2 Favored 'Isoleucine or valine' 0 C--N 1.359 1.021 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 -174.259 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.6 p -122.83 117.35 25.42 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 42.7 mtp -133.53 156.78 47.18 Favored 'General case' 0 C--N 1.365 1.273 0 CA-C-O 122.471 1.129 . . . . 0.0 112.322 -172.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -145.69 148.45 33.05 Favored 'General case' 0 C--N 1.36 1.055 0 CA-C-O 121.976 0.893 . . . . 0.0 109.709 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -115.74 135.7 53.78 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.696 -1.964 . . . . 0.0 105.696 171.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -113.42 119.39 37.45 Favored 'General case' 0 C--N 1.365 1.259 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 170.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.1 t -123.44 131.34 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.508 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -169.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -124.1 121.14 34.38 Favored 'General case' 0 C--N 1.363 1.192 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 172.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.96 -102.32 1.95 Allowed Glycine 0 C--N 1.367 2.251 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.64 75.93 1.23 Allowed Glycine 0 C--N 1.362 1.986 0 N-CA-C 116.032 1.173 . . . . 0.0 116.032 172.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 100.0 m -161.64 -74.08 0.06 Allowed 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 105.423 -2.065 . . . . 0.0 105.423 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 m -100.9 153.63 19.34 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 106.206 -1.776 . . . . 0.0 106.206 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.407 HH11 ' HA ' ' A' ' 116' ' ' THR . 83.2 mtm180 -66.53 -45.77 78.35 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 126.258 1.823 . . . . 0.0 113.772 178.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.24 -33.34 58.21 Favored 'General case' 0 C--N 1.365 1.249 1 C-N-CA 133.758 4.823 . . . . 0.0 114.171 175.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -56.62 -32.61 65.47 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 130.454 3.501 . . . . 0.0 113.915 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.69 -38.81 92.51 Favored 'General case' 0 C--N 1.37 1.494 0 C-N-CA 126.123 1.769 . . . . 0.0 113.882 173.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -74.55 -36.11 63.11 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 126.48 1.912 . . . . 0.0 111.097 171.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -66.9 -47.66 71.11 Favored 'General case' 0 C--N 1.369 1.453 0 N-CA-C 114.538 1.311 . . . . 0.0 114.538 172.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.263 1.8 pt -66.85 -40.93 86.95 Favored 'Isoleucine or valine' 0 C--N 1.372 1.572 0 C-N-CA 125.539 1.535 . . . . 0.0 114.877 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.74 -36.84 78.89 Favored 'General case' 0 C--N 1.379 1.859 0 C-N-CA 124.767 1.227 . . . . 0.0 112.19 174.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.5 m -68.2 -43.82 77.23 Favored 'General case' 0 C--N 1.378 1.843 0 C-N-CA 126.431 1.892 . . . . 0.0 112.77 173.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -59.56 -46.42 88.96 Favored 'General case' 0 C--N 1.373 1.615 0 C-N-CA 128.203 2.601 . . . . 0.0 113.568 171.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.37 0.4 OUTLIER -65.47 -48.86 81.38 Favored 'Isoleucine or valine' 0 C--N 1.378 1.821 0 C-N-CA 125.137 1.375 . . . . 0.0 114.176 176.876 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.429 ' HA ' ' HB2' ' A' ' 90' ' ' LEU 0.399 0.0 OUTLIER -71.93 -32.26 67.16 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-N 121.979 2.172 . . . . 0.0 114.664 174.499 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -63.95 -40.54 96.65 Favored 'General case' 0 C--N 1.385 2.147 0 C-N-CA 125.913 1.685 . . . . 0.0 111.899 174.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.486 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -61.56 -53.72 52.59 Favored 'General case' 0 C--N 1.375 1.693 0 C-N-CA 126.223 1.809 . . . . 0.0 111.593 168.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.429 ' HB2' ' HA ' ' A' ' 87' ' ' LEU . 5.4 mp -49.43 -26.04 3.0 Favored 'General case' 0 C--N 1.368 1.378 0 N-CA-C 118.163 2.653 . . . . 0.0 118.163 177.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.616 1.3 m -123.17 10.34 9.34 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 165.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.486 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 0.1 OUTLIER -67.59 -58.11 5.28 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 128.421 2.688 . . . . 0.0 108.296 173.722 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.379 10.0 ptpt -108.48 134.22 20.32 Favored Pre-proline 0 C--N 1.371 1.52 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 176.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.92 137.0 28.61 Favored 'Trans proline' 0 C--N 1.366 1.452 0 C-N-CA 124.651 3.567 . . . . 0.0 112.408 -172.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.47 107.23 3.74 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 124.827 1.251 . . . . 0.0 113.83 -175.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 29.3 ttp -144.65 150.78 37.96 Favored 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 124.936 1.295 . . . . 0.0 109.007 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -142.5 107.35 4.89 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 105.97 -1.863 . . . . 0.0 105.97 170.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . 0.393 15.9 pt-20 60.41 -67.68 0.04 OUTLIER 'General case' 0 C--N 1.347 0.482 1 C-N-CA 134.604 5.162 . . . . 0.0 117.418 173.672 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.32 22.39 2.4 Favored Glycine 0 CA--C 1.493 -1.331 0 N-CA-C 107.302 -2.319 . . . . 0.0 107.302 176.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -122.57 125.27 45.36 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 123.59 0.756 . . . . 0.0 109.954 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.4 m -123.37 120.81 34.13 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -119.23 138.59 52.88 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 128.878 2.871 . . . . 0.0 106.905 -178.166 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.2 t -106.14 130.67 57.39 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 C-N-CA 128.071 2.548 . . . . 0.0 108.704 -171.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.19 138.23 35.84 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 -176.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -126.57 130.19 50.04 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 127.632 2.373 . . . . 0.0 107.827 176.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -149.98 131.28 14.6 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 104.389 -2.449 . . . . 0.0 104.389 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 94.3 mt -110.96 -37.1 5.48 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 125.527 1.531 . . . . 0.0 109.036 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.51 175.05 2.6 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 -177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 pp -158.07 165.45 35.0 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 100.557 -3.868 . . . . 0.0 100.557 173.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.94 133.19 45.23 Favored 'General case' 0 C--N 1.367 1.339 0 CA-C-N 121.362 1.892 . . . . 0.0 115.484 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -89.24 75.48 7.78 Favored 'General case' 0 C--N 1.363 1.156 0 O-C-N 119.651 -1.906 . . . . 0.0 110.842 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.5 t -92.92 130.07 42.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 C-N-CA 126.345 1.858 . . . . 0.0 109.491 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 15.9 mt -130.03 137.97 55.18 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 N-CA-C 104.599 -2.371 . . . . 0.0 104.599 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 32.0 m -94.36 143.87 26.03 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 129.036 2.935 . . . . 0.0 111.798 -177.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -84.49 153.81 23.09 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 126.954 2.102 . . . . 0.0 113.093 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.407 ' HA ' HH11 ' A' ' 76' ' ' ARG . 0.6 OUTLIER -46.9 -26.36 0.97 Allowed 'General case' 0 C--N 1.362 1.122 1 C-N-CA 133.815 4.846 . . . . 0.0 119.441 -174.957 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -89.42 -21.72 22.89 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 125.79 1.636 . . . . 0.0 113.486 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.42 47.24 4.69 Favored Glycine 0 C--N 1.362 2.02 0 O-C-N 120.749 -1.22 . . . . 0.0 114.026 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 9.6 p -85.8 148.61 4.63 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 C-N-CA 126.319 1.847 . . . . 0.0 111.695 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.5 m -51.11 121.99 6.94 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 130.211 3.404 . . . . 0.0 115.601 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -125.17 141.93 51.8 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 120.806 -1.184 . . . . 0.0 112.286 -173.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -108.06 133.88 51.74 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 127.386 2.274 . . . . 0.0 109.665 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.38 148.13 18.82 Favored Glycine 0 C--N 1.357 1.742 0 C-N-CA 124.954 1.264 . . . . 0.0 109.966 173.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 17.0 tt -127.0 125.17 66.05 Favored 'Isoleucine or valine' 0 C--N 1.358 0.964 0 N-CA-C 105.272 -2.121 . . . . 0.0 105.272 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.0 mp -119.36 116.71 51.66 Favored 'Isoleucine or valine' 0 C--N 1.363 1.155 0 C-N-CA 125.542 1.537 . . . . 0.0 107.218 -177.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.54 128.18 54.71 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 124.966 1.306 . . . . 0.0 111.36 -177.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.35 136.32 51.2 Favored 'Isoleucine or valine' 0 C--N 1.359 1.01 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.86 139.59 50.06 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 126.736 2.014 . . . . 0.0 105.773 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -132.37 150.82 52.08 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 -175.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 86.8 m -137.73 143.98 41.47 Favored 'General case' 0 C--N 1.343 0.311 0 O-C-N 119.985 -1.697 . . . . 0.0 110.694 -174.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.0 tt -133.47 140.82 45.97 Favored 'Isoleucine or valine' 0 C--N 1.365 1.247 0 C-N-CA 126.151 1.78 . . . . 0.0 107.699 176.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -162.11 -60.94 0.05 OUTLIER 'General case' 0 C--N 1.36 1.053 0 N-CA-C 103.987 -2.597 . . . . 0.0 103.987 174.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 64.82 76.16 0.35 Allowed 'General case' 0 C--N 1.362 1.122 0 C-N-CA 130.175 3.39 . . . . 0.0 115.285 172.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -95.68 153.32 17.79 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 126.552 1.941 . . . . 0.0 113.723 -174.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 5.5 m -82.97 90.09 6.96 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 125.433 1.493 . . . . 0.0 110.415 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 1.697 0 C-N-CA 125.3 1.429 . . . . 0.0 110.791 -175.553 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 . . . . . 0 N--CA 1.438 -1.031 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -139.0 61.41 0.57 Allowed Glycine 0 CA--C 1.49 -1.479 0 N-CA-C 106.859 -2.496 . . . . 0.0 106.859 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 1.4 mt -81.62 75.79 8.55 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 125.974 1.709 . . . . 0.0 114.757 -173.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 60.56 -96.04 0.06 Allowed 'General case' 0 C--N 1.368 1.382 0 C-N-CA 129.829 3.252 . . . . 0.0 114.228 173.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 t -148.55 29.08 0.86 Allowed 'General case' 0 C--N 1.352 0.689 0 C-N-CA 126.343 1.857 . . . . 0.0 106.224 174.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -112.32 -75.36 0.61 Allowed 'General case' 0 C--N 1.361 1.07 0 C-N-CA 124.972 1.309 . . . . 0.0 110.608 -176.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -81.3 -11.32 59.37 Favored 'General case' 0 C--N 1.369 1.438 0 O-C-N 120.046 -1.659 . . . . 0.0 113.393 -177.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.5 tp -72.75 -23.66 60.86 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 128.692 2.797 . . . . 0.0 111.412 172.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.38 -36.11 82.63 Favored 'General case' 0 C--N 1.37 1.478 0 C-N-CA 126.417 1.887 . . . . 0.0 114.165 174.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.4 m -59.14 -47.44 85.28 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 127.01 2.124 . . . . 0.0 113.897 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.711 4.2 tpt180 -73.27 -37.52 66.25 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 128.802 2.841 . . . . 0.0 116.363 172.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.53 -23.06 48.23 Favored 'General case' 0 C--N 1.369 1.449 0 O-C-N 117.702 -3.124 . . . . 0.0 114.314 166.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.664 HD23 HG12 ' A' ' 64' ' ' ILE 0.361 0.1 OUTLIER -64.72 -29.59 70.58 Favored 'General case' 0 C--N 1.372 1.575 0 O-C-N 120.022 -1.673 . . . . 0.0 114.513 161.696 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.367 8.5 pt20 -64.37 -37.9 89.15 Favored 'General case' 0 C--N 1.387 2.221 0 CA-C-N 122.961 2.619 . . . . 0.0 110.398 169.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.542 0.0 OUTLIER -65.27 -30.74 71.64 Favored 'General case' 0 C--N 1.384 2.098 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 167.458 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.42 -32.63 73.64 Favored 'General case' 0 C--N 1.367 1.345 0 C-N-CA 125.652 1.581 . . . . 0.0 115.172 166.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.251 18.1 p -69.37 -45.85 68.36 Favored 'General case' 0 C--N 1.382 1.979 0 C-N-CA 124.673 1.189 . . . . 0.0 110.39 172.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.589 35.8 m -62.64 -30.21 48.74 Favored 'Isoleucine or valine' 0 C--N 1.38 1.902 0 O-C-N 120.29 -1.506 . . . . 0.0 113.678 173.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -70.06 -39.42 75.69 Favored 'General case' 0 C--N 1.378 1.836 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 166.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.439 ' HB3' ' HG2' ' A' ' 93' ' ' LYS 0.498 14.9 p30 -70.17 -33.76 72.14 Favored 'General case' 0 C--N 1.363 1.179 0 O-C-N 118.923 -2.36 . . . . 0.0 114.071 171.032 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.33 -40.79 94.15 Favored 'General case' 0 C--N 1.373 1.625 0 C-N-CA 126.714 2.006 . . . . 0.0 112.799 169.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.52 -23.34 29.82 Favored 'General case' 0 C--N 1.377 1.783 0 O-C-N 121.197 -0.939 . . . . 0.0 113.382 177.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.434 ' HB3' ' HE2' ' A' ' 92' ' ' TYR . 4.6 t -80.36 -29.35 37.93 Favored 'General case' 0 C--N 1.372 1.544 0 O-C-N 119.576 -1.953 . . . . 0.0 110.123 177.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -75.53 104.32 6.03 Favored 'General case' 0 C--N 1.368 1.4 0 CA-C-O 123.061 1.41 . . . . 0.0 114.734 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -39.64 -55.56 3.42 Favored Pre-proline 0 C--N 1.363 1.182 1 C-N-CA 132.031 4.132 . . . . 0.0 118.691 -171.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -65.34 -19.58 61.77 Favored 'Trans proline' 0 C--N 1.361 1.205 0 C-N-CA 124.739 3.626 . . . . 0.0 115.36 173.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.1 mt -75.18 -26.97 59.45 Favored 'General case' 0 C--N 1.379 1.85 0 CA-C-N 123.31 2.777 . . . . 0.0 113.356 175.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 41.4 mtp -63.24 -29.25 70.62 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 128.459 2.704 . . . . 0.0 114.736 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -94.42 -13.91 25.77 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 128.265 2.626 . . . . 0.0 112.29 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 45.0 tpp -102.16 -42.19 6.14 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.252 1.821 . . . . 0.0 115.181 -176.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.645 HG23 ' HA ' ' A' ' 43' ' ' TYR . 2.2 p -120.83 144.81 28.56 Favored 'Isoleucine or valine' 0 C--N 1.361 1.075 0 CA-C-O 124.461 2.077 . . . . 0.0 107.458 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -101.35 -27.74 13.0 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 129.646 3.178 . . . . 0.0 112.761 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.55 86.5 mm-40 -119.11 39.77 3.47 Favored 'General case' 0 N--CA 1.44 -0.944 1 C-N-CA 133.796 4.838 . . . . 0.0 113.553 -161.025 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.8 p -87.64 108.59 18.52 Favored 'Isoleucine or valine' 0 C--N 1.37 1.463 0 CA-C-O 124.789 2.233 . . . . 0.0 107.013 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.454 HG23 HG12 ' A' ' 45' ' ' VAL . 3.7 t -142.12 157.32 45.03 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 112.312 -2.222 . . . . 0.0 109.705 -165.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -87.46 17.42 4.53 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 116.981 2.215 . . . . 0.0 116.981 -173.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.401 3.5 t 158.22 -67.9 0.0 OUTLIER Pre-proline 0 C--N 1.368 1.398 0 C-N-CA 129.463 3.105 . . . . 0.0 112.492 174.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.406 ' O ' HG21 ' A' ' 32' ' ' THR . 83.7 Cg_endo -73.66 136.88 24.1 Favored 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 123.757 2.972 . . . . 0.0 114.896 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.7 55.02 0.15 Allowed Glycine 0 C--N 1.366 2.209 0 N-CA-C 104.866 -3.294 . . . . 0.0 104.866 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.716 ' H ' ' HD2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -84.77 -9.28 58.34 Favored 'General case' 0 C--O 1.225 -0.195 0 C-N-CA 130.152 3.381 . . . . 0.0 112.44 -178.689 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -99.81 15.36 27.2 Favored 'General case' 0 CA--C 1.542 0.643 1 C-N-CA 131.952 4.101 . . . . 0.0 109.85 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 1.4 p30 -45.34 96.82 0.12 Allowed Pre-proline 0 CA--C 1.548 0.901 2 N-CA-C 125.477 5.362 . . . . 0.0 125.477 178.443 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -83.15 116.77 2.44 Favored 'Trans proline' 0 CA--C 1.557 1.669 0 CA-C-N 125.245 2.909 . . . . 0.0 107.245 159.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -79.99 149.66 70.51 Favored Pre-proline 0 CA--C 1.563 1.452 0 CA-C-N 120.428 1.467 . . . . 0.0 114.793 -171.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -71.54 153.03 96.73 Favored 'Cis proline' 0 C--N 1.363 1.312 0 CA-C-N 122.499 1.928 . . . . 0.0 114.035 3.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.645 ' HA ' HG23 ' A' ' 28' ' ' VAL 0.279 1.5 p90 -154.63 167.1 31.28 Favored 'General case' 0 C--O 1.251 1.136 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 179.272 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.7 t -137.78 125.97 31.69 Favored 'Isoleucine or valine' 0 C--N 1.402 2.87 0 CA-C-O 123.044 1.402 . . . . 0.0 114.737 -174.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.454 HG12 HG23 ' A' ' 32' ' ' THR . 16.2 m -117.68 143.81 27.27 Favored 'Isoleucine or valine' 0 C--N 1.364 1.217 0 O-C-N 120.458 -1.401 . . . . 0.0 110.511 170.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.0 mm -92.19 140.13 16.72 Favored 'Isoleucine or valine' 0 C--N 1.363 1.153 0 C-N-CA 126.529 1.932 . . . . 0.0 107.51 172.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.61 -150.82 7.97 Favored Glycine 0 C--N 1.352 1.459 0 O-C-N 120.875 -1.14 . . . . 0.0 111.626 -175.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -146.05 147.72 31.92 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 104.342 -2.466 . . . . 0.0 104.342 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -97.69 140.58 31.88 Favored 'General case' 0 C--N 1.36 1.065 0 C-N-CA 124.293 1.037 . . . . 0.0 109.002 174.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.8 p -148.43 -124.7 0.05 Allowed 'General case' 0 C--N 1.357 0.903 0 O-C-N 121.182 -0.949 . . . . 0.0 111.979 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.8 m 166.9 -173.93 0.02 OUTLIER 'General case' 0 C--N 1.357 0.927 0 C-N-CA 130.39 3.476 . . . . 0.0 104.517 -177.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.18 -46.36 82.8 Favored Pre-proline 0 C--N 1.364 1.196 0 N-CA-C 121.466 3.876 . . . . 0.0 121.466 -177.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.59 114.23 3.65 Favored 'Trans proline' 0 C--N 1.363 1.334 0 C-N-CA 123.815 3.01 . . . . 0.0 111.415 177.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -103.29 135.56 44.7 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -175.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -163.42 170.0 18.09 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 104.191 -2.522 . . . . 0.0 104.191 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.7 t -160.51 167.41 27.26 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 104.542 -2.392 . . . . 0.0 104.542 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -105.82 61.73 0.66 Allowed 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.538 1.535 . . . . 0.0 110.807 -177.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 p -60.69 94.29 0.03 OUTLIER 'General case' 0 C--N 1.366 1.288 0 C-N-CA 129.059 2.944 . . . . 0.0 113.318 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.1 p -157.5 -123.39 0.02 OUTLIER 'General case' 0 C--N 1.352 0.7 0 CA-C-N 114.351 -1.295 . . . . 0.0 111.419 -168.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -152.88 170.49 20.22 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 128.069 2.548 . . . . 0.0 105.957 -176.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 169.16 -175.17 43.59 Favored Glycine 0 C--N 1.362 1.984 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -127.75 31.6 5.11 Favored 'General case' 0 C--N 1.362 1.135 0 CA-C-O 122.98 1.371 . . . . 0.0 107.777 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -126.41 165.1 19.68 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 123.343 1.544 . . . . 0.0 110.641 -174.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.664 HG12 HD23 ' A' ' 10' ' ' LEU . 3.5 mp -139.85 124.03 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.821 0 N-CA-C 102.324 -3.213 . . . . 0.0 102.324 -177.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.5 m -127.29 123.59 36.77 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 103.144 -2.91 . . . . 0.0 103.144 171.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 33.3 ttm -138.43 155.63 48.3 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 125.841 1.657 . . . . 0.0 108.987 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -133.27 156.58 47.31 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 172.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -124.2 140.01 53.38 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.474 1.91 . . . . 0.0 106.561 175.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.42 ' CD2' ' N ' ' A' ' 69' ' ' HIS . 9.7 m-70 -119.01 118.33 31.19 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 103.374 -2.824 . . . . 0.0 103.374 174.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.7 m -121.29 121.24 64.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 N-CA-C 105.098 -2.186 . . . . 0.0 105.098 -174.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.441 ' CH2' HG22 ' A' ' 45' ' ' VAL . 4.5 m-90 -116.09 124.15 49.67 Favored 'General case' 0 C--N 1.366 1.325 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 -178.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -81.81 -85.89 0.73 Allowed Glycine 0 C--N 1.364 2.139 0 C-N-CA 124.117 0.865 . . . . 0.0 114.285 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 143.04 -45.3 0.91 Allowed Glycine 0 C--N 1.354 1.539 0 O-C-N 120.732 -1.451 . . . . 0.0 112.874 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.5 p -99.14 -98.21 0.23 Allowed 'General case' 0 C--N 1.352 0.687 0 C-N-CA 125.457 1.503 . . . . 0.0 114.589 -173.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 m -113.52 158.78 20.3 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 127.209 2.203 . . . . 0.0 108.476 -174.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -52.5 -35.5 53.08 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 129.057 2.943 . . . . 0.0 116.904 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.62 -35.56 72.65 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 127.753 2.421 . . . . 0.0 114.378 173.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -71.34 -36.8 71.67 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 126.152 1.781 . . . . 0.0 112.435 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.24 -39.19 78.64 Favored 'General case' 0 C--N 1.371 1.535 0 C-N-CA 128.606 2.763 . . . . 0.0 114.481 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -70.25 -40.71 74.26 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 126.789 2.035 . . . . 0.0 110.673 172.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.53 -49.16 78.86 Favored 'General case' 0 C--N 1.384 2.072 0 C-N-CA 128.555 2.742 . . . . 0.0 113.275 173.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.301 9.4 pt -59.95 -38.14 75.25 Favored 'Isoleucine or valine' 0 C--N 1.374 1.654 0 O-C-N 120.384 -1.447 . . . . 0.0 113.87 169.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.9 p -61.21 -42.39 98.52 Favored 'General case' 0 C--N 1.38 1.893 0 CA-C-N 120.259 1.39 . . . . 0.0 113.83 170.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.0 t -62.67 -49.38 75.34 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 129.596 3.158 . . . . 0.0 112.141 174.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -69.99 -35.96 74.81 Favored 'General case' 0 C--N 1.372 1.55 0 C-N-CA 125.2 1.4 . . . . 0.0 114.652 174.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.302 0.3 OUTLIER -69.34 -42.2 81.15 Favored 'Isoleucine or valine' 0 C--N 1.379 1.859 0 C-N-CA 126.463 1.905 . . . . 0.0 113.528 176.519 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.4 mp -71.83 -42.75 66.62 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 127.493 2.317 . . . . 0.0 112.276 173.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -62.46 -34.13 76.2 Favored 'General case' 0 C--N 1.375 1.687 0 C-N-CA 125.305 1.442 . . . . 0.0 112.645 173.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.43 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -66.37 -48.94 68.57 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 126.579 1.952 . . . . 0.0 112.03 170.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 tp -45.53 -45.57 13.48 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 129.146 2.978 . . . . 0.0 116.457 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.376 0.2 OUTLIER -106.96 9.61 30.65 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 125.002 1.321 . . . . 0.0 113.969 172.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.434 ' HE2' ' HB3' ' A' ' 20' ' ' SER . 0.0 OUTLIER -73.33 -52.4 14.03 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 119.418 -2.051 . . . . 0.0 107.089 176.716 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.439 ' HG2' ' HB3' ' A' ' 17' ' ' ASN 0.315 2.1 ptpt -116.4 117.13 38.78 Favored Pre-proline 0 C--N 1.36 1.034 0 N-CA-C 103.419 -2.808 . . . . 0.0 103.419 173.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -68.52 151.13 75.62 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 124.466 3.444 . . . . 0.0 113.473 -167.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.475 ' HB3' HD13 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -68.33 106.46 2.49 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 125.292 1.437 . . . . 0.0 112.502 -175.588 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 19.7 ttm -144.41 143.01 30.71 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 125.865 1.666 . . . . 0.0 110.332 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -151.41 107.86 3.47 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 71.79 -88.21 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.673 0 C-N-CA 131.55 3.94 . . . . 0.0 115.619 168.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -122.0 24.0 7.18 Favored Glycine 0 C--N 1.353 1.481 0 N-CA-C 108.361 -1.896 . . . . 0.0 108.361 172.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -125.48 134.9 51.88 Favored 'General case' 0 C--N 1.361 1.094 0 O-C-N 121.849 -0.795 . . . . 0.0 111.515 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 58.8 m -126.4 125.74 42.68 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 103.133 -2.914 . . . . 0.0 103.133 174.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.552 ' CD1' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -122.43 137.81 54.74 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 -176.491 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.6 t -105.91 132.85 51.92 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.764 0 C-N-CA 125.713 1.605 . . . . 0.0 107.349 -171.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.6 135.54 35.56 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 124.471 1.108 . . . . 0.0 111.133 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -113.25 97.14 6.3 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 120.788 -1.195 . . . . 0.0 112.927 -171.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . 0.251 73.5 mmtt 73.02 -59.03 0.58 Allowed 'General case' 0 C--N 1.364 1.204 0 C-N-CA 127.663 2.385 . . . . 0.0 117.191 177.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . 0.275 9.1 tt 83.08 140.63 0.06 Allowed 'General case' 0 C--N 1.37 1.483 0 C-N-CA 128.608 2.763 . . . . 0.0 111.931 -176.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 24.0 t -116.36 116.42 52.21 Favored 'Isoleucine or valine' 0 C--N 1.364 1.204 0 O-C-N 120.269 -1.519 . . . . 0.0 107.762 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -149.17 112.59 4.99 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -133.27 90.74 2.77 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 104.322 -2.473 . . . . 0.0 104.322 173.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -89.02 66.87 7.97 Favored 'General case' 0 C--N 1.361 1.078 0 O-C-N 120.296 -1.503 . . . . 0.0 111.416 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 84.7 t -126.1 114.46 38.75 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 N-CA-C 102.951 -2.981 . . . . 0.0 102.951 175.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.7 tp -151.46 126.92 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.778 0 N-CA-C 105.077 -2.194 . . . . 0.0 105.077 -174.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 56.3 p -109.3 112.47 24.63 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 125.031 1.332 . . . . 0.0 112.738 -175.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -104.8 116.86 32.74 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 174.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . 0.274 3.9 t -73.45 -21.02 60.56 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 119.8 3.259 . . . . 0.0 119.8 -173.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -90.28 4.3 51.08 Favored 'General case' 0 C--N 1.357 0.921 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -172.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 85.93 11.5 73.35 Favored Glycine 0 C--N 1.361 1.962 0 O-C-N 120.215 -1.553 . . . . 0.0 114.334 -176.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.2 t -96.83 149.15 4.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 C-N-CA 129.703 3.201 . . . . 0.0 108.891 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.4 t -63.16 148.94 46.57 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 128.939 2.895 . . . . 0.0 114.335 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.16 141.7 28.24 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 125.261 1.425 . . . . 0.0 114.133 -178.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -93.57 129.95 39.64 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 127.804 2.442 . . . . 0.0 108.103 177.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -103.39 129.72 9.98 Favored Glycine 0 C--N 1.353 1.503 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -107.72 132.59 54.93 Favored 'Isoleucine or valine' 0 C--N 1.359 1.009 0 N-CA-C 105.688 -1.967 . . . . 0.0 105.688 178.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 28.4 mt -123.72 131.14 73.51 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 -177.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -116.69 126.07 52.64 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.64 136.07 59.07 Favored 'Isoleucine or valine' 0 C--N 1.365 1.252 0 CA-C-O 123.484 1.611 . . . . 0.0 112.306 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 91.3 mtm180 -115.98 132.88 56.52 Favored 'General case' 0 C--N 1.364 1.205 0 C-N-CA 126.797 2.039 . . . . 0.0 109.263 -177.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.464 ' HB2' HD13 ' A' ' 64' ' ' ILE . 0.6 OUTLIER -135.68 153.42 51.62 Favored 'General case' 0 C--N 1.359 1.003 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 18.9 m -140.9 139.21 34.32 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 124.24 1.016 . . . . 0.0 109.88 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.83 127.52 60.77 Favored 'Isoleucine or valine' 0 C--N 1.368 1.399 0 O-C-N 119.526 -1.984 . . . . 0.0 108.973 176.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -76.33 120.56 21.75 Favored 'General case' 0 C--N 1.362 1.121 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -178.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . 0.264 38.0 t-20 -158.41 65.68 0.44 Allowed 'General case' 0 C--N 1.351 0.65 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 170.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -114.42 29.1 8.26 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 127.012 2.125 . . . . 0.0 105.723 171.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 11.3 m -96.05 90.53 5.58 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 126.557 1.943 . . . . 0.0 108.294 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.565 0 C-N-CA 125.083 1.325 . . . . 0.0 111.235 -178.188 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 N--CA 1.435 -1.212 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -176.44 173.51 46.33 Favored Glycine 0 C--N 1.354 1.567 0 N-CA-C 106.819 -2.512 . . . . 0.0 106.819 173.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 59.4 mt 66.88 -48.03 0.47 Allowed 'General case' 0 C--N 1.37 1.49 0 N-CA-C 118.152 2.649 . . . . 0.0 118.152 175.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -74.69 137.17 41.96 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 128.814 2.846 . . . . 0.0 114.785 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.7 t -151.85 154.27 35.84 Favored 'General case' 0 C--N 1.347 0.484 1 N-CA-C 99.199 -4.371 . . . . 0.0 99.199 177.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 73.51 34.34 0.98 Allowed 'General case' 0 C--N 1.37 1.479 0 C-N-CA 125.512 1.525 . . . . 0.0 112.946 -174.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -82.57 146.12 29.35 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 128.15 2.58 . . . . 0.0 113.998 -176.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.515 HD23 ' H ' ' A' ' 5' ' ' LEU . 2.2 pt? -66.67 -26.01 66.84 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 129.348 3.059 . . . . 0.0 114.447 175.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.71 -37.39 82.2 Favored 'General case' 0 C--N 1.37 1.485 0 C-N-CA 126.636 1.974 . . . . 0.0 113.276 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.3 m -61.86 -46.37 89.72 Favored 'General case' 0 C--N 1.372 1.554 0 C-N-CA 126.666 1.986 . . . . 0.0 112.366 175.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.551 49.7 tpt85 -71.62 -37.37 70.91 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.534 1.533 . . . . 0.0 114.361 172.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.47 -23.06 5.5 Favored 'General case' 0 C--N 1.373 1.598 0 O-C-N 119.529 -1.982 . . . . 0.0 115.901 165.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -61.12 -37.08 81.52 Favored 'General case' 0 C--N 1.38 1.906 0 O-C-N 120.032 -1.667 . . . . 0.0 114.884 163.707 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.649 HE21 HG22 ' A' ' 64' ' ' ILE 0.306 60.1 mt-30 -67.04 -36.86 83.02 Favored 'General case' 0 C--N 1.374 1.656 0 C-N-CA 127.08 2.152 . . . . 0.0 109.231 176.776 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -61.86 -33.29 73.91 Favored 'General case' 0 C--N 1.369 1.438 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 162.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.92 -36.22 69.89 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 126.777 2.031 . . . . 0.0 113.851 173.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.486 9.7 t -70.35 -32.72 70.54 Favored 'General case' 0 C--N 1.382 2.002 0 O-C-N 120.731 -1.23 . . . . 0.0 110.839 166.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.5 t -69.48 -32.49 53.17 Favored 'Isoleucine or valine' 0 C--N 1.371 1.527 0 O-C-N 118.344 -2.723 . . . . 0.0 114.002 168.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -70.81 -30.24 66.63 Favored 'General case' 0 C--N 1.365 1.266 0 O-C-N 119.894 -1.754 . . . . 0.0 115.548 172.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -69.82 -42.83 73.13 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 127.293 2.237 . . . . 0.0 112.126 170.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -31.22 71.92 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 126.329 1.852 . . . . 0.0 114.082 172.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.12 -22.6 33.31 Favored 'General case' 0 C--N 1.371 1.52 0 O-C-N 121.041 -1.037 . . . . 0.0 112.207 170.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.3 m -79.34 -31.6 43.08 Favored 'General case' 0 C--N 1.383 2.057 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -82.66 93.56 7.38 Favored 'General case' 0 C--N 1.366 1.323 0 CA-C-O 124.138 1.923 . . . . 0.0 114.45 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.357 2.6 pt20 -49.57 -37.8 26.3 Favored Pre-proline 0 C--N 1.36 1.056 0 C-N-CA 130.883 3.673 . . . . 0.0 119.052 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -60.84 -19.6 62.6 Favored 'Trans proline' 0 CA--C 1.547 1.133 0 C-N-CA 124.804 3.669 . . . . 0.0 115.454 168.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.7 -46.37 89.28 Favored 'General case' 0 C--N 1.387 2.239 0 CA-C-N 121.955 2.161 . . . . 0.0 113.102 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . 0.304 12.8 ptm -56.07 -27.43 53.47 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 128.611 2.764 . . . . 0.0 115.885 174.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -85.59 -22.17 28.15 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 125.999 1.72 . . . . 0.0 112.567 174.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.86 -40.62 8.43 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 126.735 2.014 . . . . 0.0 113.632 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.661 HG23 ' HA ' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -123.27 146.4 28.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 N-CA-C 102.141 -3.281 . . . . 0.0 102.141 176.849 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.303 8.0 t-20 -99.33 -21.88 15.83 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 127.023 2.129 . . . . 0.0 113.434 -175.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.496 6.2 mp0 -136.5 41.54 2.56 Favored 'General case' 0 CA--C 1.483 -1.598 1 C-N-CA 132.554 4.342 . . . . 0.0 112.101 -156.937 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.3 p -85.79 108.97 17.93 Favored 'Isoleucine or valine' 0 C--N 1.37 1.497 0 CA-C-O 125.48 2.562 . . . . 0.0 106.101 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.46 HG21 ' O ' ' A' ' 35' ' ' PRO . 8.8 t -146.75 167.14 24.58 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 111.649 -2.523 . . . . 0.0 110.588 -166.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -105.84 63.0 0.67 Allowed 'General case' 0 C--N 1.353 0.727 0 O-C-N 120.508 -1.37 . . . . 0.0 110.404 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.485 56.9 m 111.99 -73.25 0.0 OUTLIER Pre-proline 0 C--N 1.361 1.069 0 C-N-CA 128.726 2.81 . . . . 0.0 116.007 178.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.46 ' O ' HG21 ' A' ' 32' ' ' THR . 92.6 Cg_endo -72.89 137.51 27.01 Favored 'Trans proline' 0 C--N 1.363 1.306 0 CA-C-N 127.479 3.707 . . . . 0.0 112.382 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 145.4 -19.56 1.88 Allowed Glycine 0 C--N 1.364 2.137 0 CA-C-O 122.612 1.118 . . . . 0.0 110.384 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.257 0.0 OUTLIER -64.09 -14.23 53.19 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 119.559 3.17 . . . . 0.0 119.559 -178.601 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -93.33 16.65 12.8 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 128.505 2.722 . . . . 0.0 112.674 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -119.5 175.5 2.19 Favored Pre-proline 0 C--N 1.354 0.772 0 C-N-CA 127.254 2.222 . . . . 0.0 109.935 -175.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -70.09 154.2 66.67 Favored 'Trans proline' 0 C--N 1.371 1.726 0 C-N-CA 124.976 3.784 . . . . 0.0 115.626 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -93.57 146.13 31.23 Favored Pre-proline 0 C--N 1.352 0.702 0 C-N-CA 130.199 3.4 . . . . 0.0 110.276 -174.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -79.44 150.84 85.14 Favored 'Cis proline' 0 C--N 1.35 0.635 0 N-CA-C 116.733 1.782 . . . . 0.0 116.733 6.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.661 ' HA ' HG23 ' A' ' 28' ' ' VAL . 16.3 p90 -155.1 167.04 31.69 Favored 'General case' 0 C--N 1.37 1.467 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 175.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.8 t -137.41 130.03 42.65 Favored 'Isoleucine or valine' 0 C--N 1.388 2.251 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 -174.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.412 HG22 ' CH2' ' A' ' 71' ' ' TRP . 31.2 m -114.09 134.67 56.22 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 O-C-N 120.16 -1.588 . . . . 0.0 107.048 170.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.9 mt -104.91 128.31 58.75 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -176.28 -134.77 2.01 Favored Glycine 0 C--N 1.351 1.404 0 O-C-N 120.392 -1.442 . . . . 0.0 112.049 -170.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -140.39 148.48 41.31 Favored 'General case' 0 C--N 1.365 1.265 0 CA-C-O 122.356 1.074 . . . . 0.0 111.063 -176.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -101.57 155.59 17.99 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 127.764 2.426 . . . . 0.0 109.146 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.9 t -92.91 -166.2 1.49 Allowed 'General case' 0 C--N 1.366 1.309 0 O-C-N 119.821 -1.799 . . . . 0.0 111.876 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . 0.251 6.6 t 100.23 10.37 0.01 OUTLIER 'General case' 0 C--N 1.363 1.194 0 C-N-CA 129.484 3.114 . . . . 0.0 113.805 179.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.0 m -65.68 114.95 18.15 Favored Pre-proline 0 C--N 1.364 1.205 0 C-N-CA 128.66 2.784 . . . . 0.0 115.625 -177.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -75.87 160.55 37.19 Favored 'Trans proline' 0 C--N 1.359 1.129 1 C-N-CA 125.551 4.167 . . . . 0.0 113.611 177.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -110.78 138.76 46.77 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 125.917 1.687 . . . . 0.0 109.001 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 87.49 102.36 0.03 OUTLIER 'General case' 0 C--N 1.363 1.17 0 C-N-CA 128.268 2.627 . . . . 0.0 112.117 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.0 m -165.61 139.28 4.51 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 102.666 -3.087 . . . . 0.0 102.666 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -100.82 47.64 0.92 Allowed 'General case' 0 C--N 1.362 1.146 0 C-N-CA 125.295 1.438 . . . . 0.0 113.221 -175.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 t 179.3 -174.28 0.21 Allowed 'General case' 0 C--N 1.354 0.777 0 N-CA-C 104.305 -2.48 . . . . 0.0 104.305 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . 0.274 7.8 t 102.91 -14.88 0.02 OUTLIER 'General case' 0 C--N 1.36 1.022 0 C-N-CA 130.434 3.494 . . . . 0.0 115.871 174.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -98.05 59.54 1.41 Allowed 'General case' 0 C--N 1.351 0.663 0 C-N-CA 124.7 1.2 . . . . 0.0 113.014 -176.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 167.99 -175.44 42.81 Favored Glycine 0 C--N 1.362 1.988 0 C-N-CA 130.045 3.688 . . . . 0.0 104.099 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 75.72 -54.48 0.63 Allowed 'General case' 0 C--N 1.364 1.208 0 N-CA-C 117.414 2.375 . . . . 0.0 117.414 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -121.84 162.76 20.35 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 116.482 2.03 . . . . 0.0 116.482 -174.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.649 HG22 HE21 ' A' ' 11' ' ' GLN . 2.6 mp -121.42 127.27 75.66 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 1 C-N-CA 132.417 4.287 . . . . 0.0 101.494 176.271 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.2 m -127.06 132.05 50.78 Favored 'General case' 0 C--N 1.361 1.093 0 O-C-N 121.004 -1.06 . . . . 0.0 110.441 -177.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.14 157.26 46.26 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 126.102 1.761 . . . . 0.0 108.831 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -140.24 158.42 44.06 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 125.128 1.371 . . . . 0.0 109.302 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -130.94 130.71 43.8 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 125.263 1.425 . . . . 0.0 107.728 176.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -119.33 119.26 33.48 Favored 'General case' 0 C--N 1.36 1.058 0 N-CA-C 105.971 -1.862 . . . . 0.0 105.971 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.2 m -124.78 135.53 63.67 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 -172.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.412 ' CH2' HG22 ' A' ' 45' ' ' VAL . 1.1 m-90 -132.22 123.07 26.27 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 173.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -126.09 47.62 1.01 Allowed Glycine 0 C--N 1.369 2.414 0 C-N-CA 123.322 0.487 . . . . 0.0 112.88 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.75 57.29 0.35 Allowed Glycine 0 C--N 1.355 1.61 0 C-N-CA 128.963 3.173 . . . . 0.0 118.383 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.1 p -121.18 -70.81 0.76 Allowed 'General case' 0 C--N 1.352 0.717 0 C-N-CA 126.109 1.764 . . . . 0.0 109.419 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.7 m -131.59 144.6 51.19 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 103.353 -2.832 . . . . 0.0 103.353 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -52.17 -36.48 51.84 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 128.551 2.741 . . . . 0.0 115.782 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.97 -35.1 72.61 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 131.241 3.817 . . . . 0.0 113.671 174.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.19 -33.61 72.47 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 125.961 1.705 . . . . 0.0 113.901 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.92 -34.77 75.93 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 127.188 2.195 . . . . 0.0 114.246 174.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -77.22 -43.0 35.21 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 128.601 2.76 . . . . 0.0 110.691 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.9 -49.08 66.73 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 128.913 2.885 . . . . 0.0 113.633 174.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.4 pt -65.24 -38.45 82.66 Favored 'Isoleucine or valine' 0 C--N 1.382 1.982 0 CA-C-N 120.279 1.399 . . . . 0.0 113.282 174.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 62.4 m -60.91 -48.19 82.94 Favored 'General case' 0 C--N 1.385 2.149 0 C-N-CA 126.652 1.981 . . . . 0.0 111.518 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.5 m -60.24 -47.46 85.87 Favored 'General case' 0 C--N 1.37 1.471 0 C-N-CA 127.453 2.301 . . . . 0.0 113.976 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -67.08 -37.96 84.89 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 126.372 1.869 . . . . 0.0 115.861 176.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.315 9.6 p -70.35 -43.32 78.44 Favored 'Isoleucine or valine' 0 C--N 1.38 1.927 0 O-C-N 120.165 -1.585 . . . . 0.0 112.881 173.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.72 -40.45 95.1 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 128.498 2.719 . . . . 0.0 112.31 172.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -65.58 -39.51 91.72 Favored 'General case' 0 C--N 1.373 1.627 0 C-N-CA 126.561 1.944 . . . . 0.0 113.076 171.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.55 -53.72 50.53 Favored 'General case' 0 C--N 1.373 1.63 0 CA-C-N 120.587 1.539 . . . . 0.0 112.855 169.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.2 mt -55.17 -26.07 36.52 Favored 'General case' 0 C--N 1.369 1.438 0 N-CA-C 117.721 2.489 . . . . 0.0 117.721 177.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.403 ' O ' HG22 ' A' ' 91' ' ' THR 0.673 1.8 m -114.17 10.25 17.29 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 165.646 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -52.88 11.02 Favored 'General case' 0 C--N 1.36 1.063 0 O-C-N 119.204 -2.185 . . . . 0.0 108.765 170.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -119.5 129.77 25.2 Favored Pre-proline 0 C--N 1.359 1.001 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 175.337 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -79.92 129.66 8.13 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 123.979 3.119 . . . . 0.0 111.702 -176.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.36 107.98 4.58 Favored 'General case' 0 C--N 1.368 1.372 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 -177.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 33.5 ttp -143.14 162.14 36.35 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 102.432 -3.173 . . . . 0.0 102.432 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -141.48 107.8 5.26 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 124.549 1.14 . . . . 0.0 108.896 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 69.03 -76.04 0.06 Allowed 'General case' 0 C--N 1.348 0.525 1 C-N-CA 133.425 4.69 . . . . 0.0 115.229 172.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -146.62 22.65 1.67 Allowed Glycine 0 CA--C 1.492 -1.357 0 N-CA-C 106.388 -2.685 . . . . 0.0 106.388 174.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -121.37 124.55 44.8 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.7 m -115.0 142.45 46.62 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 122.319 1.057 . . . . 0.0 111.209 -173.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.557 ' CE1' ' HB2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -144.35 136.9 26.72 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 104.419 -2.438 . . . . 0.0 104.419 -179.424 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 76.8 t -106.89 135.32 45.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 C-N-CA 127.548 2.339 . . . . 0.0 109.549 -171.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.55 129.5 34.7 Favored 'General case' 0 C--N 1.368 1.381 0 C-N-CA 125.62 1.568 . . . . 0.0 110.682 177.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -95.68 122.92 38.97 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 124.22 1.008 . . . . 0.0 110.255 -176.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -167.76 -179.7 4.39 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 120.31 -1.493 . . . . 0.0 109.881 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.0 tp -151.84 -51.39 0.12 Allowed 'General case' 0 C--N 1.355 0.818 0 N-CA-C 103.478 -2.786 . . . . 0.0 103.478 176.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.7 m -122.38 156.85 27.31 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 N-CA-C 102.506 -3.146 . . . . 0.0 102.506 169.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -109.98 -52.09 2.81 Favored 'General case' 0 C--N 1.359 1.014 0 CA-C-N 119.662 1.119 . . . . 0.0 111.3 -176.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -149.36 171.56 16.33 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -106.8 139.37 41.33 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 125.595 1.558 . . . . 0.0 108.05 176.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.4 p -102.81 126.25 57.05 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 C-N-CA 126.439 1.896 . . . . 0.0 109.133 178.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.5 pt -142.63 127.07 15.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 C-N-CA 125.905 1.682 . . . . 0.0 106.491 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 5.7 t -118.36 142.31 47.66 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.164 1.785 . . . . 0.0 107.341 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -95.4 127.36 41.38 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 125.488 1.515 . . . . 0.0 110.601 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.5 p -71.96 -20.98 61.66 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 127.958 2.503 . . . . 0.0 113.678 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -86.68 -4.25 59.15 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 128.401 2.68 . . . . 0.0 114.208 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.64 -0.13 84.6 Favored Glycine 0 C--N 1.362 1.98 0 N-CA-C 118.823 2.289 . . . . 0.0 118.823 173.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 33.4 m -73.81 119.71 21.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 127.442 2.297 . . . . 0.0 115.243 -177.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.3 m -74.7 119.37 18.8 Favored 'General case' 0 C--N 1.369 1.455 0 O-C-N 119.078 -2.264 . . . . 0.0 115.323 -176.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -97.68 142.83 29.0 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 128.779 2.832 . . . . 0.0 111.536 178.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.11 150.26 22.21 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 129.629 3.172 . . . . 0.0 106.635 173.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -124.8 150.26 17.11 Favored Glycine 0 C--N 1.353 1.517 0 C-N-CA 123.603 0.621 . . . . 0.0 112.599 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -118.02 124.54 73.24 Favored 'Isoleucine or valine' 0 C--N 1.365 1.281 0 N-CA-C 101.903 -3.369 . . . . 0.0 101.903 171.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.3 mt -119.67 130.28 74.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -110.86 140.15 45.56 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 124.839 1.256 . . . . 0.0 107.854 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.7 p -140.06 135.27 37.34 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 CA-C-N 122.343 2.338 . . . . 0.0 110.601 175.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.32 139.11 53.98 Favored 'General case' 0 C--N 1.358 0.978 0 O-C-N 120.184 -1.572 . . . . 0.0 110.925 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -122.74 134.5 54.45 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 126.766 2.026 . . . . 0.0 105.706 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 3.6 m -123.55 143.36 50.24 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.941 0.896 . . . . 0.0 110.032 -173.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.4 pt -126.2 111.73 27.59 Favored 'Isoleucine or valine' 0 C--N 1.37 1.474 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . 0.254 9.7 t30 65.66 -72.7 0.07 Allowed 'General case' 0 C--N 1.366 1.305 0 C-N-CA 129.792 3.237 . . . . 0.0 118.577 170.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -167.24 -94.72 0.01 OUTLIER 'General case' 0 C--N 1.352 0.688 1 N-CA-C 98.947 -4.464 . . . . 0.0 98.947 179.386 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -173.58 -70.79 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 103.651 -2.722 . . . . 0.0 103.651 170.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 35.0 p -72.84 109.38 6.38 Favored 'General case' 0 C--N 1.363 1.196 0 C-N-CA 125.538 1.535 . . . . 0.0 111.572 175.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.681 0 C-N-CA 124.215 0.912 . . . . 0.0 111.168 -176.69 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 . . . . . 0 N--CA 1.442 -0.839 0 CA-C-O 121.083 0.468 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -110.79 43.51 1.7 Allowed Glycine 0 C--N 1.356 1.65 0 C-N-CA 125.796 1.665 . . . . 0.0 112.612 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 34.7 tp -153.46 153.16 31.95 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 126.977 2.111 . . . . 0.0 106.91 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -76.19 50.58 0.63 Allowed 'General case' 0 C--N 1.363 1.196 0 C-N-CA 128.708 2.803 . . . . 0.0 114.353 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.2 m -90.8 -24.83 20.2 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 128.27 2.628 . . . . 0.0 112.382 -176.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 66.33 -57.63 0.37 Allowed 'General case' 0 C--N 1.363 1.195 0 C-N-CA 128.194 2.598 . . . . 0.0 117.138 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -91.36 64.83 5.21 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 128.486 2.714 . . . . 0.0 110.446 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.8 mt -58.0 -23.38 53.79 Favored 'General case' 0 C--N 1.365 1.251 0 C-N-CA 130.651 3.58 . . . . 0.0 113.071 176.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.58 -33.27 66.02 Favored 'General case' 0 C--N 1.362 1.136 1 C-N-CA 133.076 4.551 . . . . 0.0 113.306 172.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.3 p -56.05 -47.26 78.23 Favored 'General case' 0 C--N 1.372 1.582 0 C-N-CA 127.112 2.165 . . . . 0.0 113.675 173.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.473 6.2 tpp180 -71.81 -36.8 70.38 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 131.081 3.753 . . . . 0.0 112.935 175.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.45 -23.14 36.72 Favored 'General case' 0 CA--C 1.561 1.398 0 O-C-N 119.476 -2.015 . . . . 0.0 114.583 165.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 102' ' ' PHE 0.286 0.1 OUTLIER -64.96 -29.25 70.17 Favored 'General case' 0 C--N 1.375 1.675 0 O-C-N 119.307 -2.121 . . . . 0.0 115.174 162.368 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.37 -37.83 83.78 Favored 'General case' 0 C--N 1.377 1.801 0 C-N-CA 127.022 2.129 . . . . 0.0 109.645 174.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -63.4 -34.04 76.86 Favored 'General case' 0 C--N 1.375 1.677 0 C-N-CA 125.603 1.561 . . . . 0.0 112.064 166.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.85 -34.9 78.83 Favored 'General case' 0 C--N 1.367 1.368 0 O-C-N 118.87 -2.394 . . . . 0.0 113.414 169.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.263 19.2 p -65.52 -38.56 90.04 Favored 'General case' 0 C--N 1.381 1.974 0 C-N-CA 124.593 1.157 . . . . 0.0 111.711 169.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -34.89 70.78 Favored 'Isoleucine or valine' 0 C--N 1.37 1.468 0 O-C-N 120.534 -1.354 . . . . 0.0 114.266 172.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.85 -35.58 72.49 Favored 'General case' 0 C--N 1.368 1.384 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 171.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.502 ' HB3' ' HG2' ' A' ' 93' ' ' LYS 0.534 23.1 p30 -70.28 -34.52 72.86 Favored 'General case' 0 C--N 1.365 1.277 0 O-C-N 119.844 -1.785 . . . . 0.0 112.634 170.078 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 mt -65.8 -31.31 72.2 Favored 'General case' 0 C--N 1.37 1.49 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 170.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -85.02 -30.16 24.38 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 125.271 1.428 . . . . 0.0 112.994 172.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.2 m -81.52 -21.28 38.69 Favored 'General case' 0 C--N 1.378 1.838 0 C-N-CA 125.343 1.457 . . . . 0.0 112.566 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -87.77 94.05 9.63 Favored 'General case' 0 C--N 1.36 1.049 0 CA-C-O 122.794 1.283 . . . . 0.0 110.806 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.326 3.4 pt20 -52.73 -38.1 54.34 Favored Pre-proline 0 C--N 1.359 1.018 0 N-CA-C 119.075 2.991 . . . . 0.0 119.075 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -63.66 -19.36 67.24 Favored 'Trans proline' 0 C--N 1.363 1.337 0 C-N-CA 124.969 3.779 . . . . 0.0 114.264 167.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.77 -15.74 59.66 Favored 'General case' 0 C--N 1.371 1.5 0 CA-C-N 121.14 1.791 . . . . 0.0 114.064 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 73.9 mtp -67.08 -28.52 68.25 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 129.07 2.948 . . . . 0.0 113.34 176.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -89.72 -15.58 32.22 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 128.278 2.631 . . . . 0.0 112.142 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -101.19 -41.23 6.81 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 128.037 2.535 . . . . 0.0 114.166 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 p -122.87 146.89 27.45 Favored 'Isoleucine or valine' 0 C--N 1.365 1.25 0 O-C-N 120.308 -1.495 . . . . 0.0 108.167 -177.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -101.5 -39.72 7.39 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-O 124.602 2.144 . . . . 0.0 113.5 177.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.437 ' HG3' ' HB3' ' A' ' 39' ' ' ASP 0.825 68.1 mm-40 -116.24 40.87 2.74 Favored 'General case' 0 CA--C 1.5 -0.979 1 C-N-CA 135.134 5.373 . . . . 0.0 118.257 -166.767 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -84.87 108.95 17.39 Favored 'Isoleucine or valine' 0 C--N 1.369 1.435 0 CA-C-O 124.574 2.131 . . . . 0.0 109.543 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.7 t -146.52 169.57 18.67 Favored 'General case' 0 C--N 1.365 1.272 0 CA-C-O 124.309 2.004 . . . . 0.0 113.82 -173.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -78.54 50.73 0.99 Allowed 'General case' 0 C--N 1.355 0.844 0 N-CA-C 117.72 2.489 . . . . 0.0 117.72 -176.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.653 60.6 p 113.72 -57.78 0.0 OUTLIER Pre-proline 0 N--CA 1.476 0.871 0 CA-C-O 113.505 -3.14 . . . . 0.0 119.32 173.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -73.7 163.93 36.05 Favored 'Trans proline' 0 CA--C 1.555 1.541 1 CA-C-N 128.761 4.165 . . . . 0.0 115.946 176.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.11 15.34 0.6 Allowed Glycine 0 C--N 1.366 2.219 0 N-CA-C 115.916 1.126 . . . . 0.0 115.916 171.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -28.57 46.69 Favored 'General case' 0 C--N 1.364 1.207 0 N-CA-C 118.18 2.659 . . . . 0.0 118.18 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -96.45 9.76 40.33 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 128.485 2.714 . . . . 0.0 112.733 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.437 ' HB3' ' HG3' ' A' ' 30' ' ' GLN . 80.6 m-20 -90.41 165.77 22.11 Favored Pre-proline 0 C--N 1.36 1.037 0 C-N-CA 124.793 1.237 . . . . 0.0 110.854 177.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -69.43 148.75 67.9 Favored 'Trans proline' 0 C--N 1.365 1.439 0 C-N-CA 124.413 3.409 . . . . 0.0 114.577 -177.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -95.54 132.88 26.65 Favored Pre-proline 0 C--N 1.356 0.867 0 C-N-CA 126.782 2.033 . . . . 0.0 108.189 -177.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -82.95 150.36 69.29 Favored 'Cis proline' 0 CA--C 1.552 1.419 0 CA-C-N 122.79 2.032 . . . . 0.0 116.333 2.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -159.65 166.72 30.04 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 124.937 1.295 . . . . 0.0 113.758 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.513 HG22 HG22 ' A' ' 70' ' ' VAL . 72.3 t -137.27 133.79 46.95 Favored 'Isoleucine or valine' 0 C--N 1.393 2.489 0 CA-C-O 123.854 1.788 . . . . 0.0 112.04 -175.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.2 m -122.47 132.33 71.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 119.951 -1.718 . . . . 0.0 109.309 171.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.4 mt -99.16 124.93 52.73 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 C-N-CA 126.652 1.981 . . . . 0.0 105.752 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.59 -126.66 0.83 Allowed Glycine 0 C--N 1.351 1.365 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -145.13 155.64 43.43 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 123.619 0.768 . . . . 0.0 110.259 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.23 158.8 16.35 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 126.568 1.947 . . . . 0.0 110.326 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.3 t -82.86 56.23 3.35 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 127.873 2.469 . . . . 0.0 112.076 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.9 m -162.88 47.47 0.15 Allowed 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.216 -1.552 . . . . 0.0 109.003 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.0 p -116.28 81.57 10.81 Favored Pre-proline 0 C--N 1.355 0.841 0 C-N-CA 125.939 1.696 . . . . 0.0 109.121 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -84.84 114.14 1.64 Allowed 'Trans proline' 0 C--N 1.364 1.354 0 C-N-CA 124.17 3.247 . . . . 0.0 113.282 -173.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -115.46 111.27 20.52 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 125.169 1.388 . . . . 0.0 109.928 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -103.16 20.1 18.31 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 125.616 1.566 . . . . 0.0 110.746 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.9 t -165.36 -177.47 4.51 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 104.488 -2.412 . . . . 0.0 104.488 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -100.47 -125.8 0.18 Allowed 'General case' 0 C--N 1.355 0.823 0 C-N-CA 125.751 1.62 . . . . 0.0 112.495 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.4 m -174.37 165.67 3.97 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.1 t -141.83 27.26 1.84 Allowed 'General case' 0 C--N 1.358 0.966 0 C-N-CA 123.995 0.918 . . . . 0.0 111.076 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -147.87 -66.31 0.25 Allowed 'General case' 0 C--N 1.364 1.206 0 CA-C-O 121.766 0.793 . . . . 0.0 111.556 -177.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.9 11.55 60.16 Favored Glycine 0 C--N 1.362 2.003 0 C-N-CA 126.084 1.802 . . . . 0.0 114.157 -175.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -81.07 7.17 11.55 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 128.921 2.888 . . . . 0.0 114.925 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.5 m120 -111.89 126.74 55.43 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 103.014 -2.958 . . . . 0.0 103.014 173.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.74 121.15 62.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 1 N-CA-C 99.935 -4.098 . . . . 0.0 99.935 -177.48 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 p -131.47 117.65 19.1 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 104.229 -2.508 . . . . 0.0 104.229 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.8 tpt -144.48 160.97 40.21 Favored 'General case' 0 C--N 1.36 1.046 0 CA-C-O 121.842 0.83 . . . . 0.0 109.799 -175.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -132.18 152.9 51.05 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 124.581 1.153 . . . . 0.0 109.311 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.311 2.4 p90 -128.79 139.23 52.28 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.91 1.284 . . . . 0.0 107.749 171.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -121.55 127.54 51.06 Favored 'General case' 0 CA--C 1.491 -1.321 0 C-N-CA 128.009 2.524 . . . . 0.0 106.575 -175.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.513 HG22 HG22 ' A' ' 44' ' ' VAL . 55.2 t -121.98 128.49 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 CA-C-N 113.916 -1.493 . . . . 0.0 107.834 -175.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -128.22 138.08 52.3 Favored 'General case' 0 C--N 1.369 1.418 0 C-N-CA 118.27 -1.372 . . . . 0.0 109.252 171.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -150.89 179.12 27.86 Favored Glycine 0 C--N 1.366 2.245 0 CA-C-O 122.324 0.958 . . . . 0.0 111.692 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -153.88 108.43 0.37 Allowed Glycine 0 C--N 1.354 1.549 0 N-CA-C 105.156 -3.178 . . . . 0.0 105.156 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.0 m -166.64 -85.88 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 103.214 -2.884 . . . . 0.0 103.214 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.6 p -144.55 170.12 16.66 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 125.999 1.72 . . . . 0.0 107.746 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -67.07 -35.33 79.59 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 127.786 2.434 . . . . 0.0 114.141 171.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.65 -35.89 73.1 Favored 'General case' 0 C--N 1.371 1.525 0 C-N-CA 127.724 2.41 . . . . 0.0 113.496 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -60.48 -36.91 79.43 Favored 'General case' 0 C--N 1.373 1.612 0 C-N-CA 126.716 2.006 . . . . 0.0 114.215 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.18 -33.58 73.68 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 126.111 1.764 . . . . 0.0 114.374 173.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -77.24 -39.49 48.21 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 127.548 2.339 . . . . 0.0 110.693 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -66.64 -45.21 79.75 Favored 'General case' 0 C--N 1.372 1.565 0 C-N-CA 127.005 2.122 . . . . 0.0 113.97 174.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.267 11.9 pt -66.39 -37.75 80.33 Favored 'Isoleucine or valine' 0 C--N 1.374 1.647 0 C-N-CA 126.176 1.79 . . . . 0.0 111.662 174.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.7 t -65.15 -42.33 93.86 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 126.882 2.073 . . . . 0.0 112.58 172.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.0 t -58.71 -41.39 86.2 Favored 'General case' 0 C--N 1.373 1.614 0 C-N-CA 129.07 2.948 . . . . 0.0 112.296 173.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -75.34 -38.83 59.96 Favored 'General case' 0 C--N 1.369 1.454 0 C-N-CA 126.143 1.777 . . . . 0.0 113.763 171.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.9 t -63.84 -49.5 81.63 Favored 'Isoleucine or valine' 0 C--N 1.381 1.965 0 CA-C-N 122.015 2.189 . . . . 0.0 112.327 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.2 mp -71.8 -32.05 67.21 Favored 'General case' 0 C--N 1.37 1.485 0 O-C-N 119.405 -2.059 . . . . 0.0 111.922 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -61.7 -34.27 75.49 Favored 'General case' 0 C--N 1.387 2.218 0 C-N-CA 124.938 1.295 . . . . 0.0 112.603 169.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.49 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -65.97 -50.39 64.47 Favored 'General case' 0 C--N 1.374 1.643 0 C-N-CA 125.772 1.629 . . . . 0.0 110.837 170.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.252 8.0 mp -50.88 -38.93 52.47 Favored 'General case' 0 C--N 1.377 1.787 0 N-CA-C 116.874 2.176 . . . . 0.0 116.874 178.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.306 0.2 OUTLIER -103.05 9.61 38.47 Favored 'General case' 0 C--N 1.368 1.403 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 169.711 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.49 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -77.84 -48.58 16.13 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 119.046 -2.284 . . . . 0.0 106.336 178.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.502 ' HG2' ' HB3' ' A' ' 17' ' ' ASN 0.377 0.5 OUTLIER -119.4 104.61 45.3 Favored Pre-proline 0 C--N 1.353 0.728 0 N-CA-C 105.032 -2.211 . . . . 0.0 105.032 172.296 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -57.34 154.18 36.45 Favored 'Trans proline' 0 C--N 1.386 2.519 1 C-N-CA 125.831 4.354 . . . . 0.0 117.501 -169.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.4 mt -82.43 106.64 14.47 Favored 'General case' 0 C--N 1.363 1.188 0 CA-C-O 125.598 2.618 . . . . 0.0 116.844 -168.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 25.1 ttt -144.58 149.1 35.23 Favored 'General case' 0 N--CA 1.426 -1.629 0 CA-C-N 111.342 -2.663 . . . . 0.0 107.558 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -134.02 109.92 9.3 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 104.176 -2.527 . . . . 0.0 104.176 170.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 64.42 -71.83 0.07 Allowed 'General case' 0 N--CA 1.442 -0.835 1 C-N-CA 132.936 4.494 . . . . 0.0 118.098 165.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -141.47 19.63 2.61 Favored Glycine 0 CA--C 1.492 -1.371 0 N-CA-C 106.888 -2.485 . . . . 0.0 106.888 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -123.24 124.88 44.0 Favored 'General case' 0 C--N 1.367 1.331 0 CA-C-N 117.718 0.759 . . . . 0.0 109.125 -177.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.0 m -121.64 123.45 41.94 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 -177.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -127.06 136.26 51.93 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 128.548 2.739 . . . . 0.0 105.36 -174.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.7 t -106.4 132.92 52.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 C-N-CA 127.345 2.258 . . . . 0.0 110.22 -171.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.93 138.86 36.12 Favored 'General case' 0 C--N 1.362 1.144 0 N-CA-C 117.055 2.243 . . . . 0.0 117.055 -174.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -128.1 140.98 51.63 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 129.113 2.965 . . . . 0.0 108.078 177.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -156.04 172.86 17.69 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 103.913 -2.625 . . . . 0.0 103.913 177.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.5 tp -92.06 -111.19 0.1 Allowed 'General case' 0 C--N 1.363 1.175 0 C-N-CA 125.052 1.341 . . . . 0.0 111.647 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.7 t -110.23 -71.84 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.115 0 O-C-N 120.674 -1.266 . . . . 0.0 108.68 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.7 tp -155.92 149.49 24.91 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -119.34 117.13 27.71 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -167.34 127.27 1.43 Allowed 'General case' 0 C--N 1.358 0.971 0 CA-C-O 121.65 0.738 . . . . 0.0 112.634 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.9 p -116.16 138.28 47.15 Favored 'Isoleucine or valine' 0 C--N 1.362 1.146 0 N-CA-C 104.382 -2.451 . . . . 0.0 104.382 173.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 30.0 pt -106.6 154.53 7.59 Favored 'Isoleucine or valine' 0 C--N 1.36 1.027 0 O-C-N 120.365 -1.459 . . . . 0.0 114.179 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.255 3.6 t -90.97 143.67 26.48 Favored 'General case' 0 C--N 1.37 1.497 0 C-N-CA 127.295 2.238 . . . . 0.0 110.202 173.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -97.99 170.62 8.81 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 125.432 1.493 . . . . 0.0 112.607 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -47.23 -20.67 0.2 Allowed 'General case' 0 C--N 1.355 0.837 1 C-N-CA 134.09 4.956 . . . . 0.0 118.679 -179.053 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -76.45 -16.64 59.63 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 128.122 2.569 . . . . 0.0 114.58 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.65 47.33 4.59 Favored Glycine 0 C--N 1.364 2.121 0 C-N-CA 124.833 1.206 . . . . 0.0 115.486 174.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 94.7 t -97.07 148.06 5.85 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 C-N-CA 125.812 1.645 . . . . 0.0 110.793 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.5 m -49.44 128.23 16.8 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 131.091 3.756 . . . . 0.0 113.243 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -93.47 115.72 28.24 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 124.641 1.176 . . . . 0.0 110.114 -168.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -120.19 138.32 53.69 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 126.371 1.869 . . . . 0.0 107.702 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.67 139.67 11.14 Favored Glycine 0 C--N 1.348 1.22 0 N-CA-C 107.244 -2.342 . . . . 0.0 107.244 170.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.07 128.02 75.93 Favored 'Isoleucine or valine' 0 C--N 1.362 1.114 0 N-CA-C 104.326 -2.472 . . . . 0.0 104.326 175.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 51.6 mt -121.39 128.1 75.84 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 125.616 1.566 . . . . 0.0 106.8 -177.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -110.06 139.59 45.02 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 124.182 0.993 . . . . 0.0 109.457 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.92 143.74 18.5 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 CA-C-O 123.6 1.667 . . . . 0.0 110.736 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -124.3 140.52 52.88 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 125.811 1.644 . . . . 0.0 107.415 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.08 148.05 49.73 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 104.552 -2.388 . . . . 0.0 104.552 178.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 81.3 m -135.97 143.15 44.69 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 119.723 -1.861 . . . . 0.0 109.585 -174.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.54 137.9 56.33 Favored 'Isoleucine or valine' 0 C--N 1.364 1.236 0 C-N-CA 126.689 1.995 . . . . 0.0 106.757 175.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -177.35 171.33 2.01 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 103.176 -2.898 . . . . 0.0 103.176 177.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . 0.53 0.0 OUTLIER 82.95 139.56 0.06 Allowed 'General case' 0 C--N 1.358 0.948 0 C-N-CA 131.298 3.839 . . . . 0.0 116.836 178.121 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 82.96 67.6 0.02 OUTLIER 'General case' 0 C--N 1.361 1.071 0 C-N-CA 127.531 2.332 . . . . 0.0 112.199 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 5.9 t -102.38 116.67 33.11 Favored 'General case' 0 C--N 1.365 1.239 0 O-C-N 120.72 -1.237 . . . . 0.0 108.318 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.501 0 N-CA-C 107.937 -2.065 . . . . 0.0 107.937 -178.053 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 . . . . . 0 N--CA 1.44 -0.939 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 152.76 133.6 1.93 Allowed Glycine 0 C--N 1.354 1.546 0 C-N-CA 125.329 1.443 . . . . 0.0 109.987 -176.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 51.0 tp -161.28 153.34 19.77 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 103.785 -2.672 . . . . 0.0 103.785 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 99.91 131.6 0.01 OUTLIER 'General case' 0 C--N 1.362 1.147 0 C-N-CA 130.029 3.332 . . . . 0.0 108.805 -174.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 t -139.33 39.98 2.08 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -117.38 148.18 41.99 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 126.762 2.025 . . . . 0.0 107.172 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.7 mttm 86.43 51.71 0.01 OUTLIER 'General case' 0 C--N 1.367 1.329 0 C-N-CA 128.014 2.526 . . . . 0.0 112.483 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.3 mt -57.15 -31.88 65.82 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 128.681 2.793 . . . . 0.0 116.882 -175.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.76 -32.93 73.22 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 127.024 2.13 . . . . 0.0 113.673 174.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.1 p -61.0 -48.03 83.7 Favored 'General case' 0 C--N 1.375 1.678 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.512 38.4 tpt85 -71.98 -36.23 69.74 Favored 'General case' 0 C--O 1.245 0.85 0 C-N-CA 131.053 3.741 . . . . 0.0 113.726 174.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.417 ' HA ' ' HG3' ' A' ' 12' ' ' LYS . . . -53.43 -27.0 22.26 Favored 'General case' 0 CA--C 1.559 1.311 0 O-C-N 119.943 -1.723 . . . . 0.0 115.171 165.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 102' ' ' PHE 0.273 0.2 OUTLIER -62.77 -29.6 70.83 Favored 'General case' 0 C--N 1.382 1.987 0 O-C-N 119.683 -1.886 . . . . 0.0 115.578 165.122 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.272 49.0 mt-30 -69.79 -37.76 76.44 Favored 'General case' 0 C--N 1.371 1.527 0 C-N-CA 126.183 1.793 . . . . 0.0 110.834 173.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.417 ' HG3' ' HA ' ' A' ' 9' ' ' ALA 0.424 0.0 OUTLIER -67.1 -30.59 70.65 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 165.984 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.33 -33.82 69.98 Favored 'General case' 0 C--N 1.366 1.304 0 O-C-N 119.414 -2.054 . . . . 0.0 113.708 171.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.5 m -70.12 -29.66 66.66 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 129.876 3.27 . . . . 0.0 110.507 171.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.86 -37.9 63.24 Favored 'Isoleucine or valine' 0 C--N 1.365 1.256 0 O-C-N 119.445 -2.034 . . . . 0.0 112.664 168.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -68.57 -29.66 68.25 Favored 'General case' 0 C--N 1.371 1.517 0 O-C-N 120.255 -1.528 . . . . 0.0 114.372 170.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -62.57 -49.81 73.82 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 127.712 2.405 . . . . 0.0 110.645 168.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -31.57 66.18 Favored 'General case' 0 C--N 1.38 1.918 0 C-N-CA 125.847 1.659 . . . . 0.0 112.125 173.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -66.08 -44.08 85.48 Favored 'General case' 0 C--N 1.371 1.524 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 167.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.479 ' HB2' ' CZ ' ' A' ' 92' ' ' TYR 0.388 0.7 OUTLIER -76.78 -16.98 59.31 Favored 'General case' 0 C--N 1.391 2.383 0 CA-C-N 123.439 2.836 . . . . 0.0 114.583 176.506 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.458 ' CD2' ' HB2' ' A' ' 89' ' ' ALA . 2.1 t80 -81.66 92.17 6.54 Favored 'General case' 0 C--N 1.367 1.358 0 CA-C-O 125.007 2.337 . . . . 0.0 116.347 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.337 10.9 pt20 -54.45 -43.4 97.78 Favored Pre-proline 0 C--N 1.36 1.061 0 C-N-CA 130.93 3.692 . . . . 0.0 116.247 175.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -62.73 -19.04 67.23 Favored 'Trans proline' 0 C--N 1.364 1.383 1 C-N-CA 125.328 4.019 . . . . 0.0 114.737 170.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tp -73.35 -29.04 62.39 Favored 'General case' 0 C--N 1.379 1.861 0 CA-C-N 121.852 2.115 . . . . 0.0 114.027 -178.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 58.8 mtt -60.03 -28.95 68.18 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 130.714 3.606 . . . . 0.0 114.118 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -94.07 -18.57 21.68 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 128.106 2.563 . . . . 0.0 112.889 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.8 mmt -102.79 -34.59 8.95 Favored 'General case' 0 C--N 1.361 1.103 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 p -123.25 146.67 28.24 Favored 'Isoleucine or valine' 0 C--N 1.364 1.227 0 O-C-N 120.062 -1.649 . . . . 0.0 107.666 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -101.05 -44.46 5.71 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 123.615 1.674 . . . . 0.0 112.442 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.412 ' HB2' ' HB2' ' A' ' 43' ' ' TYR 0.627 4.2 mp0 -109.02 40.79 1.74 Allowed 'General case' 0 CA--C 1.499 -0.995 1 C-N-CA 134.761 5.224 . . . . 0.0 115.456 -171.843 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.7 p -84.47 108.33 16.52 Favored 'Isoleucine or valine' 0 C--N 1.369 1.439 0 CA-C-N 124.331 3.242 . . . . 0.0 108.142 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.3 t -146.76 169.19 19.58 Favored 'General case' 0 C--N 1.361 1.077 0 CA-C-N 112.662 -2.063 . . . . 0.0 112.089 -168.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -95.87 9.61 39.99 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 -176.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.33 11.6 m -169.07 -70.0 0.0 OUTLIER Pre-proline 0 C--N 1.361 1.088 0 CA-C-O 115.37 -2.252 . . . . 0.0 113.789 175.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -72.94 164.2 36.24 Favored 'Trans proline' 0 C--N 1.362 1.25 0 C-N-CA 124.709 3.606 . . . . 0.0 115.473 -173.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 156.33 -25.73 0.53 Allowed Glycine 0 C--N 1.364 2.125 0 O-C-N 120.698 -1.251 . . . . 0.0 115.807 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.39 -31.39 6.11 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 119.31 3.078 . . . . 0.0 119.31 -174.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -106.28 15.38 26.24 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 127.674 2.39 . . . . 0.0 111.841 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -106.49 168.3 8.33 Favored Pre-proline 0 C--N 1.359 0.983 0 O-C-N 119.731 -1.855 . . . . 0.0 111.575 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -64.21 152.59 80.58 Favored 'Trans proline' 0 C--N 1.375 1.953 1 C-N-CA 125.56 4.173 . . . . 0.0 116.343 177.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -104.26 139.98 20.63 Favored Pre-proline 0 C--N 1.355 0.821 0 C-N-CA 127.261 2.224 . . . . 0.0 107.172 -177.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -80.51 149.0 77.69 Favored 'Cis proline' 0 CA--C 1.546 1.104 0 CA-C-N 123.883 2.422 . . . . 0.0 116.566 3.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.412 ' HB2' ' HB2' ' A' ' 30' ' ' GLN . 30.8 p90 -160.8 167.7 26.23 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 114.754 1.391 . . . . 0.0 114.754 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.461 HG22 HG22 ' A' ' 70' ' ' VAL . 72.6 t -136.64 135.31 48.9 Favored 'Isoleucine or valine' 0 C--N 1.401 2.811 0 CA-C-O 122.981 1.372 . . . . 0.0 114.632 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.416 HG22 ' CH2' ' A' ' 71' ' ' TRP . 25.5 m -113.62 143.02 24.19 Favored 'Isoleucine or valine' 0 C--N 1.364 1.196 0 O-C-N 120.068 -1.645 . . . . 0.0 109.034 165.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 21.8 mm -95.71 127.62 47.6 Favored 'Isoleucine or valine' 0 C--N 1.365 1.244 0 C-N-CA 127.914 2.486 . . . . 0.0 107.952 173.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -165.47 -133.99 1.59 Allowed Glycine 0 C--N 1.358 1.784 0 CA-C-N 118.948 0.795 . . . . 0.0 113.621 -177.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -145.0 152.76 40.65 Favored 'General case' 0 C--N 1.368 1.381 0 C-N-CA 126.054 1.742 . . . . 0.0 109.962 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -81.34 155.57 25.91 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 126.363 1.865 . . . . 0.0 113.109 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.9 m -73.68 61.99 0.77 Allowed 'General case' 0 C--N 1.364 1.207 0 C-N-CA 126.684 1.994 . . . . 0.0 115.775 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.1 m -83.55 103.56 12.98 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 128.788 2.835 . . . . 0.0 110.699 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.2 m -48.29 -51.16 52.36 Favored Pre-proline 0 C--N 1.365 1.259 0 C-N-CA 128.428 2.691 . . . . 0.0 118.106 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -76.19 114.81 3.98 Favored 'Trans proline' 0 C--N 1.364 1.354 0 C-N-CA 123.66 2.907 . . . . 0.0 112.105 174.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -115.38 129.2 56.51 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 126.253 1.821 . . . . 0.0 109.385 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . 0.273 1.2 tm-20 66.14 74.69 0.35 Allowed 'General case' 0 C--N 1.36 1.032 0 C-N-CA 128.614 2.765 . . . . 0.0 117.553 174.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.5 p -122.46 109.28 14.17 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 177.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . 0.33 74.5 mmtt 82.71 -127.68 0.01 OUTLIER 'General case' 0 C--N 1.365 1.244 0 C-N-CA 128.586 2.754 . . . . 0.0 115.842 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.7 t 171.17 -156.55 0.01 OUTLIER 'General case' 0 C--N 1.366 1.29 0 C-N-CA 129.166 2.986 . . . . 0.0 103.657 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.4 m 179.17 141.92 0.12 Allowed 'General case' 0 C--N 1.36 1.029 0 C-N-CA 126.889 2.076 . . . . 0.0 106.918 177.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -110.8 51.11 0.78 Allowed 'General case' 0 C--N 1.362 1.148 0 C-N-CA 125.241 1.416 . . . . 0.0 110.916 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -153.77 145.71 13.3 Favored Glycine 0 C--N 1.354 1.557 0 N-CA-C 104.315 -3.514 . . . . 0.0 104.315 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . 0.254 28.9 tt0 -87.21 121.63 29.92 Favored 'General case' 0 C--N 1.365 1.249 0 CA-C-O 124.888 2.28 . . . . 0.0 116.902 -172.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -128.97 163.45 25.31 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 128.17 2.588 . . . . 0.0 107.942 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -134.83 132.39 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 C-N-CA 129.997 3.319 . . . . 0.0 103.048 -178.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.4 t -131.43 119.72 22.03 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 100.897 -3.742 . . . . 0.0 100.897 172.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 20.9 ttt -134.67 133.18 39.78 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 126.289 1.836 . . . . 0.0 109.839 -173.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.12 146.51 45.89 Favored 'General case' 0 C--N 1.367 1.344 0 CA-C-O 123.252 1.501 . . . . 0.0 108.884 172.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.449 ' CZ ' HD11 ' A' ' 90' ' ' LEU . 7.8 m-85 -118.04 130.33 56.1 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 102.837 -3.023 . . . . 0.0 102.837 171.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.411 ' CE1' HD11 ' A' ' 124' ' ' ILE . 8.7 m-70 -118.57 119.52 34.74 Favored 'General case' 0 C--N 1.368 1.399 0 N-CA-C 106.09 -1.819 . . . . 0.0 106.09 175.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.461 HG22 HG22 ' A' ' 44' ' ' VAL . 46.9 t -118.79 134.8 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.879 0 CA-C-N 113.563 -1.653 . . . . 0.0 108.425 -169.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.416 ' CH2' HG22 ' A' ' 45' ' ' VAL . 1.7 m-90 -133.09 118.95 19.35 Favored 'General case' 0 C--N 1.366 1.301 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 171.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.79 74.91 0.41 Allowed Glycine 0 C--N 1.364 2.135 0 C-N-CA 126.742 2.115 . . . . 0.0 108.861 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -98.09 72.4 0.62 Allowed Glycine 0 C--N 1.354 1.572 0 C-N-CA 127.313 2.387 . . . . 0.0 111.216 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.4 p -135.84 -88.53 0.32 Allowed 'General case' 0 C--N 1.349 0.563 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.2 m -110.64 141.38 43.94 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 104.607 -2.368 . . . . 0.0 104.607 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -52.29 -39.85 61.03 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 127.984 2.513 . . . . 0.0 115.451 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.76 -35.59 81.08 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 129.347 3.059 . . . . 0.0 114.621 175.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -62.74 -33.75 75.79 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 127.106 2.163 . . . . 0.0 113.72 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.07 93.44 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 128.068 2.547 . . . . 0.0 115.103 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -77.32 -30.86 54.26 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.13 1.372 . . . . 0.0 111.984 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -66.38 -43.2 86.53 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 126.45 1.9 . . . . 0.0 112.67 173.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.7 pt -68.18 -38.31 79.46 Favored 'Isoleucine or valine' 0 C--N 1.375 1.678 0 CA-C-N 119.809 1.186 . . . . 0.0 113.73 173.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 t -63.67 -49.5 72.96 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 127.768 2.427 . . . . 0.0 112.212 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.6 m -64.44 -39.93 94.77 Favored 'General case' 0 C--N 1.37 1.462 0 C-N-CA 127.995 2.518 . . . . 0.0 113.118 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -43.33 86.41 Favored 'General case' 0 C--N 1.377 1.767 0 C-N-CA 126.193 1.797 . . . . 0.0 114.108 173.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.333 3.1 p -67.94 -38.45 80.02 Favored 'Isoleucine or valine' 0 C--N 1.374 1.65 0 CA-C-N 121.541 1.973 . . . . 0.0 113.384 176.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.52 -41.24 89.11 Favored 'General case' 0 CA--C 1.572 1.795 0 C-N-CA 127.743 2.417 . . . . 0.0 113.362 171.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -66.18 -33.43 75.76 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 127.394 2.278 . . . . 0.0 113.183 171.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 21' ' ' TYR . . . -62.75 -51.46 67.03 Favored 'General case' 0 C--N 1.369 1.428 0 C-N-CA 126.913 2.085 . . . . 0.0 112.099 171.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.449 HD11 ' CZ ' ' A' ' 68' ' ' PHE . 1.1 mp -45.46 -37.71 5.47 Favored 'General case' 0 C--N 1.378 1.834 0 C-N-CA 131.276 3.83 . . . . 0.0 113.897 172.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.391 0.2 OUTLIER -107.36 9.56 29.84 Favored 'General case' 0 C--N 1.365 1.246 0 N-CA-C 116.998 2.222 . . . . 0.0 116.998 167.132 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 20' ' ' SER 0.361 2.2 p90 -75.97 -46.96 26.95 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 117.661 -3.149 . . . . 0.0 105.936 177.722 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.288 11.6 ptpt -113.16 140.87 24.78 Favored Pre-proline 0 C--N 1.362 1.147 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 169.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -76.38 153.21 35.22 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.7 2.933 . . . . 0.0 110.52 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.4 mt -74.44 108.45 7.22 Favored 'General case' 0 C--N 1.36 1.046 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 24.7 ttt -144.41 141.78 29.89 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 125.897 1.679 . . . . 0.0 110.756 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -137.55 107.69 6.39 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.273 2.229 . . . . 0.0 105.92 175.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . 0.385 11.7 pt-20 61.5 -65.68 0.07 Allowed 'General case' 0 C--N 1.348 0.541 1 C-N-CA 134.847 5.259 . . . . 0.0 118.279 172.323 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -143.6 16.93 2.23 Favored Glycine 0 CA--C 1.491 -1.425 0 N-CA-C 106.822 -2.511 . . . . 0.0 106.822 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -121.28 124.66 45.15 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.2 m -117.09 128.81 55.51 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 104.629 -2.36 . . . . 0.0 104.629 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -111.62 132.42 54.58 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-O 122.494 1.14 . . . . 0.0 113.089 -171.055 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.7 t -107.22 128.85 61.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 C-N-CA 128.094 2.558 . . . . 0.0 110.849 -172.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.09 123.07 28.09 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 125.684 1.594 . . . . 0.0 113.532 -177.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -135.16 94.61 3.16 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 -175.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . 0.281 33.9 mmtp 84.15 145.46 0.07 Allowed 'General case' 0 C--N 1.358 0.94 0 C-N-CA 127.767 2.427 . . . . 0.0 115.763 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -148.71 160.07 43.53 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 124.587 1.155 . . . . 0.0 108.515 177.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.1 p -151.47 154.52 8.19 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 0 C-N-CA 126.575 1.95 . . . . 0.0 107.873 -175.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . 0.253 0.0 OUTLIER -153.25 99.96 2.41 Favored 'General case' 0 C--N 1.365 1.267 0 CA-C-O 122.803 1.287 . . . . 0.0 112.738 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -158.69 113.24 2.5 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 119.22 -2.175 . . . . 0.0 109.833 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -169.75 141.64 2.33 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 103.426 -2.805 . . . . 0.0 103.426 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.2 p -127.44 130.04 70.61 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 N-CA-C 105.385 -2.08 . . . . 0.0 105.385 175.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 23.4 mt -111.39 145.78 17.19 Favored 'Isoleucine or valine' 0 C--N 1.364 1.228 0 C-N-CA 124.491 1.116 . . . . 0.0 109.293 -175.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 3.7 m -70.74 141.83 51.46 Favored 'General case' 0 C--N 1.369 1.439 0 C-N-CA 130.842 3.657 . . . . 0.0 113.941 -176.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.35 118.88 37.69 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 126.352 1.861 . . . . 0.0 115.631 -175.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.9 p -73.39 -51.15 18.37 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 127.991 2.517 . . . . 0.0 114.619 174.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -90.98 1.51 57.0 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 129.184 2.993 . . . . 0.0 112.754 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.76 -3.99 85.91 Favored Glycine 0 C--N 1.358 1.781 0 C-N-CA 125.6 1.571 . . . . 0.0 115.397 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.8 p -127.91 102.07 8.15 Favored 'Isoleucine or valine' 0 C--N 1.355 0.806 0 CA-C-O 122.76 1.267 . . . . 0.0 111.098 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.1 t -92.89 121.56 34.37 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 126.861 2.064 . . . . 0.0 108.994 172.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -126.16 113.88 17.61 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 102.975 -2.972 . . . . 0.0 102.975 170.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -135.31 137.7 42.72 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 124.903 1.281 . . . . 0.0 110.709 -173.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -129.31 132.96 7.33 Favored Glycine 0 C--N 1.356 1.679 0 N-CA-C 107.843 -2.103 . . . . 0.0 107.843 172.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.411 HD11 ' CE1' ' A' ' 69' ' ' HIS . 0.4 OUTLIER -121.01 129.62 75.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 178.474 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 88.8 mt -118.94 114.24 44.11 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 N-CA-C 103.741 -2.689 . . . . 0.0 103.741 172.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -119.58 119.93 35.23 Favored 'General case' 0 C--N 1.363 1.183 0 N-CA-C 105.121 -2.178 . . . . 0.0 105.121 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.27 146.8 27.35 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 CA-C-O 122.589 1.185 . . . . 0.0 110.248 -176.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -116.63 139.25 50.73 Favored 'General case' 0 C--N 1.361 1.103 0 C-N-CA 127.054 2.142 . . . . 0.0 107.067 177.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -124.6 140.36 53.01 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 103.332 -2.84 . . . . 0.0 103.332 175.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 9.1 m -124.23 143.2 50.66 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 105.177 -2.157 . . . . 0.0 105.177 -177.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 15.1 pt -114.43 143.79 23.4 Favored 'Isoleucine or valine' 0 C--N 1.363 1.174 0 O-C-N 119.899 -1.751 . . . . 0.0 111.274 176.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -175.64 174.58 2.21 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 175.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -158.56 151.24 22.12 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.046 -2.205 . . . . 0.0 105.046 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -107.71 10.69 28.86 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.234 1.814 . . . . 0.0 112.697 -178.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 24.5 m -84.73 90.89 7.82 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 126.735 2.014 . . . . 0.0 110.647 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.611 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 -176.648 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 15.1 tm0? . . . . . 0 N--CA 1.435 -1.207 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 84.44 24.14 48.15 Favored Glycine 0 C--N 1.361 1.936 0 C-N-CA 126.092 1.806 . . . . 0.0 116.613 171.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 13.0 tp 76.05 -52.18 0.62 Allowed 'General case' 0 C--N 1.36 1.058 0 C-N-CA 129.073 2.949 . . . . 0.0 113.241 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 79.74 31.62 0.24 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 130.154 3.382 . . . . 0.0 113.525 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . 0.3 66.5 p 94.45 -119.47 0.0 OUTLIER 'General case' 0 C--N 1.363 1.162 0 C-N-CA 131.459 3.903 . . . . 0.0 107.695 -176.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -110.64 -5.47 15.04 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 126.911 2.085 . . . . 0.0 107.732 175.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt 69.73 -58.42 0.52 Allowed 'General case' 0 C--N 1.375 1.705 0 C-N-CA 130.008 3.323 . . . . 0.0 113.588 -178.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.4 mt -58.11 -23.25 54.23 Favored 'General case' 0 C--N 1.365 1.251 1 C-N-CA 135.769 5.628 . . . . 0.0 112.923 176.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.9 -34.3 67.78 Favored 'General case' 0 C--N 1.364 1.237 0 C-N-CA 129.273 3.029 . . . . 0.0 114.232 174.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.463 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.1 m -61.67 -46.69 88.66 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 127.843 2.457 . . . . 0.0 113.805 176.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.368 51.1 ttm-85 -73.47 -37.52 65.74 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 128.836 2.854 . . . . 0.0 114.541 167.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.07 -23.01 4.66 Favored 'General case' 0 CA--C 1.569 1.695 0 O-C-N 117.735 -3.103 . . . . 0.0 115.022 169.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.586 HD13 ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -55.82 -34.3 65.24 Favored 'General case' 0 C--N 1.374 1.654 0 N-CA-C 117.071 2.249 . . . . 0.0 117.071 161.58 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.586 ' N ' HD13 ' A' ' 10' ' ' LEU 0.423 1.2 pp0? -70.14 -37.57 75.31 Favored 'General case' 0 C--N 1.381 1.97 0 C-N-CA 128.323 2.649 . . . . 0.0 110.013 172.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -66.57 -30.92 71.33 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 166.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.89 -32.5 67.49 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 127.626 2.371 . . . . 0.0 111.897 172.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.6 m -69.78 -45.52 67.82 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 128.917 2.887 . . . . 0.0 110.677 172.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.26 -31.19 52.79 Favored 'Isoleucine or valine' 0 C--N 1.366 1.325 0 C-N-CA 125.898 1.679 . . . . 0.0 113.051 171.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -70.49 -37.14 74.18 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 124.893 1.277 . . . . 0.0 112.763 171.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.565 ' HB3' ' HG2' ' A' ' 93' ' ' LYS 0.353 23.6 p30 -63.87 -35.09 79.49 Favored 'General case' 0 C--N 1.377 1.796 0 CA-C-N 121.395 1.907 . . . . 0.0 114.222 168.174 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.459 HD21 ' CD1' ' A' ' 90' ' ' LEU . 9.2 mt -60.57 -42.76 97.31 Favored 'General case' 0 C--N 1.377 1.799 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 168.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -82.13 -21.88 36.45 Favored 'General case' 0 C--N 1.364 1.227 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 174.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.9 m -81.91 -25.45 34.95 Favored 'General case' 0 C--N 1.376 1.744 0 C-N-CA 125.903 1.681 . . . . 0.0 113.246 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -81.17 96.52 7.24 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 120.582 -1.324 . . . . 0.0 111.043 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.422 4.8 pt20 -40.87 -47.47 7.15 Favored Pre-proline 0 C--N 1.367 1.364 1 N-CA-C 121.964 4.061 . . . . 0.0 121.964 -173.989 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -65.78 -20.0 58.96 Favored 'Trans proline' 0 C--N 1.362 1.271 0 CA-C-N 127.886 3.852 . . . . 0.0 115.085 169.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tt -69.04 -41.84 77.14 Favored 'General case' 0 C--N 1.374 1.663 0 CA-C-N 121.564 1.984 . . . . 0.0 112.241 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 57.3 mmm -59.82 -27.73 66.86 Favored 'General case' 0 C--N 1.362 1.145 1 C-N-CA 132.125 4.17 . . . . 0.0 114.814 171.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -84.54 -39.19 19.1 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 128.01 2.524 . . . . 0.0 112.071 176.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 24.2 mmt -78.46 -41.09 33.67 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 125.89 1.676 . . . . 0.0 113.828 177.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.2 m -124.36 143.27 38.34 Favored 'Isoleucine or valine' 0 C--N 1.369 1.436 0 N-CA-C 101.968 -3.345 . . . . 0.0 101.968 167.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -102.25 -17.3 15.99 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 125.969 2.795 . . . . 0.0 110.748 176.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.397 48.4 mm-40 -98.37 39.36 1.25 Allowed 'General case' 0 N--CA 1.422 -1.861 1 C-N-CA 137.598 6.359 . . . . 0.0 115.198 -167.663 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.94 108.5 18.08 Favored 'Isoleucine or valine' 0 C--N 1.377 1.765 0 N-CA-C 104.745 -2.317 . . . . 0.0 104.745 175.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.7 t -131.55 145.39 51.7 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 113.977 -1.465 . . . . 0.0 113.636 -172.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -94.46 -7.44 41.38 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 124.967 1.307 . . . . 0.0 114.016 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.292 15.5 m -166.89 -74.14 0.0 OUTLIER Pre-proline 0 C--N 1.356 0.866 0 CA-C-O 115.308 -2.282 . . . . 0.0 111.019 177.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -72.92 137.4 26.73 Favored 'Trans proline' 0 C--N 1.367 1.545 0 C-N-CA 124.052 3.168 . . . . 0.0 113.051 -177.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.89 32.2 2.71 Favored Glycine 0 C--N 1.352 1.447 0 O-C-N 120.159 -1.588 . . . . 0.0 112.14 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.457 ' HA ' HG11 ' A' ' 45' ' ' VAL 0.422 0.0 OUTLIER -85.35 -16.94 38.26 Favored 'General case' 0 C--N 1.361 1.098 0 O-C-N 120.077 -1.837 . . . . 0.0 113.903 175.686 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -105.16 15.79 26.89 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 128.487 2.715 . . . . 0.0 114.105 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.68 154.57 58.9 Favored Pre-proline 0 C--N 1.367 1.332 0 C-N-CA 126.036 1.735 . . . . 0.0 110.366 176.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -75.81 152.79 37.46 Favored 'Trans proline' 0 CA--C 1.546 1.124 0 C-N-CA 124.201 3.267 . . . . 0.0 115.992 -171.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -71.49 138.78 83.67 Favored Pre-proline 0 C--N 1.364 1.22 0 C-N-CA 130.352 3.461 . . . . 0.0 115.709 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.1 148.09 84.38 Favored 'Cis proline' 0 CA--C 1.543 0.927 0 CA-C-N 122.134 1.798 . . . . 0.0 115.218 2.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -167.63 167.55 13.33 Favored 'General case' 0 CA--C 1.561 1.382 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 177.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.2 t -132.07 121.89 47.59 Favored 'Isoleucine or valine' 0 C--N 1.393 2.469 0 CA-C-O 123.517 1.627 . . . . 0.0 113.743 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.457 HG11 ' HA ' ' A' ' 37' ' ' LYS . 19.0 m -113.0 145.56 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 120.303 -1.498 . . . . 0.0 109.649 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.4 mp -95.24 137.02 24.51 Favored 'Isoleucine or valine' 0 C--N 1.368 1.398 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 173.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -154.2 -149.93 5.36 Favored Glycine 0 C--N 1.351 1.4 0 N-CA-C 105.935 -2.866 . . . . 0.0 105.935 175.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -146.53 160.79 41.68 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.865 -1.373 . . . . 0.0 108.763 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -125.95 152.83 45.14 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 127.628 2.371 . . . . 0.0 105.47 178.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.3 t -94.9 -170.18 2.16 Favored 'General case' 0 C--N 1.363 1.158 0 O-C-N 120.951 -1.093 . . . . 0.0 110.811 174.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.5 t 114.12 -12.12 0.01 OUTLIER 'General case' 0 C--N 1.359 0.997 0 C-N-CA 130.14 3.376 . . . . 0.0 109.269 -177.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.6 p -113.73 -52.56 0.05 OUTLIER Pre-proline 0 C--N 1.356 0.872 0 C-N-CA 128.367 2.667 . . . . 0.0 113.556 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -78.32 143.9 20.09 Favored 'Trans proline' 0 C--N 1.367 1.535 0 CA-C-N 128.141 3.943 . . . . 0.0 114.377 -175.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -132.53 150.5 52.15 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 104.991 -2.225 . . . . 0.0 104.991 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -82.05 55.4 2.79 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 125.691 1.596 . . . . 0.0 114.066 -177.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.6 t -165.51 158.38 15.72 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 104.299 -2.482 . . . . 0.0 104.299 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 73.08 103.09 0.07 Allowed 'General case' 0 C--N 1.359 0.995 0 C-N-CA 128.785 2.834 . . . . 0.0 115.392 177.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.2 m -58.65 61.48 0.0 OUTLIER 'General case' 0 C--N 1.373 1.592 0 C-N-CA 129.757 3.223 . . . . 0.0 115.928 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.8 m -74.84 57.69 0.79 Allowed 'General case' 0 C--N 1.352 0.692 0 C-N-CA 129.487 3.115 . . . . 0.0 114.319 -174.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -85.18 47.74 1.46 Allowed 'General case' 0 C--N 1.36 1.048 0 C-N-CA 125.724 1.61 . . . . 0.0 112.504 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 164.44 174.47 34.25 Favored Glycine 0 C--N 1.354 1.556 0 N-CA-C 106.913 -2.475 . . . . 0.0 106.913 -176.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . 0.275 15.8 tp10 84.31 -52.82 0.12 Allowed 'General case' 0 C--N 1.366 1.313 0 C-N-CA 129.834 3.254 . . . . 0.0 116.607 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -128.53 139.41 52.32 Favored 'General case' 0 C--N 1.359 1.017 0 CA-C-O 122.914 1.34 . . . . 0.0 112.638 -175.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.512 HG21 ' CD1' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -108.7 132.8 55.68 Favored 'Isoleucine or valine' 0 C--N 1.365 1.251 0 C-N-CA 130.198 3.399 . . . . 0.0 102.264 172.302 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 93.2 m -132.46 128.38 37.33 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 119.239 -2.163 . . . . 0.0 109.267 174.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -154.53 161.11 41.81 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 124.45 1.1 . . . . 0.0 109.374 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.65 163.47 28.86 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-O 123.26 1.505 . . . . 0.0 109.931 174.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -129.18 138.1 51.54 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 101.801 -3.407 . . . . 0.0 101.801 166.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -112.27 118.56 35.61 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 100.298 -3.964 . . . . 0.0 100.298 -178.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.4 t -121.31 111.13 30.08 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 N-CA-C 103.806 -2.664 . . . . 0.0 103.806 -165.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . 0.28 0.0 OUTLIER -130.87 138.18 49.7 Favored 'General case' 0 C--N 1.373 1.598 0 C-N-CA 115.566 -2.454 . . . . 0.0 112.484 -176.27 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.05 76.79 0.37 Allowed Glycine 0 C--N 1.371 2.495 0 C-N-CA 123.507 0.575 . . . . 0.0 112.664 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.97 95.56 2.01 Favored Glycine 0 C--N 1.362 1.978 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.0 m -177.98 -54.52 0.01 OUTLIER 'General case' 0 C--N 1.351 0.648 0 N-CA-C 103.934 -2.617 . . . . 0.0 103.934 -175.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.1 m -163.43 154.95 17.07 Favored 'General case' 0 C--N 1.361 1.082 0 N-CA-C 104.459 -2.423 . . . . 0.0 104.459 173.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -53.99 -35.11 61.5 Favored 'General case' 0 C--N 1.373 1.608 0 C-N-CA 129.289 3.036 . . . . 0.0 116.356 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.74 -35.97 64.3 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 129.028 2.931 . . . . 0.0 114.424 174.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -70.06 -39.27 75.77 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 124.555 1.142 . . . . 0.0 111.812 174.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.435 ' HA ' HG12 ' A' ' 82' ' ' ILE . . . -69.49 -42.51 74.68 Favored 'General case' 0 C--N 1.367 1.354 0 N-CA-C 116.627 2.084 . . . . 0.0 116.627 176.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -67.61 -39.65 84.72 Favored 'General case' 0 C--N 1.373 1.608 0 C-N-CA 126.643 1.977 . . . . 0.0 110.757 175.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -67.6 -51.94 44.4 Favored 'General case' 0 C--N 1.377 1.786 0 C-N-CA 124.567 1.147 . . . . 0.0 114.002 172.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.435 HG12 ' HA ' ' A' ' 79' ' ' ALA 0.279 9.9 pt -60.5 -38.06 76.88 Favored 'Isoleucine or valine' 0 C--N 1.384 2.092 0 C-N-CA 125.967 1.707 . . . . 0.0 114.25 177.765 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.9 m -63.58 -40.75 97.76 Favored 'General case' 0 C--N 1.371 1.509 0 C-N-CA 125.562 1.545 . . . . 0.0 112.581 174.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 91.3 p -68.6 -42.26 78.42 Favored 'General case' 0 C--N 1.379 1.849 0 C-N-CA 127.741 2.416 . . . . 0.0 112.989 175.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -66.59 -35.17 79.55 Favored 'General case' 0 C--N 1.376 1.76 0 C-N-CA 125.479 1.512 . . . . 0.0 112.86 174.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.9 t -69.26 -50.21 54.36 Favored 'Isoleucine or valine' 0 C--N 1.379 1.86 0 C-N-CA 126.733 2.013 . . . . 0.0 113.317 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.509 0.0 OUTLIER -69.04 -35.73 76.92 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-N 123.838 3.017 . . . . 0.0 114.88 176.61 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -57.57 -47.96 80.66 Favored 'General case' 0 C--N 1.381 1.976 0 C-N-CA 126.929 2.091 . . . . 0.0 112.728 171.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.66 -50.23 74.62 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 129.0 2.92 . . . . 0.0 114.239 170.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.459 ' CD1' HD21 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -47.2 -41.51 18.3 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 129.925 3.29 . . . . 0.0 114.278 177.418 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.629 0.2 OUTLIER -108.51 10.54 27.22 Favored 'General case' 0 C--N 1.373 1.6 0 N-CA-C 116.828 2.159 . . . . 0.0 116.828 165.617 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -43.51 41.33 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 118.108 -2.87 . . . . 0.0 109.871 177.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.565 ' HG2' ' HB3' ' A' ' 17' ' ' ASN . 3.6 tttp -122.62 94.08 47.9 Favored Pre-proline 0 C--N 1.35 0.61 0 N-CA-C 104.046 -2.575 . . . . 0.0 104.046 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -63.23 148.96 92.6 Favored 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 124.791 3.661 . . . . 0.0 115.845 -170.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.98 106.54 6.53 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 123.737 1.732 . . . . 0.0 115.274 -172.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 52.5 ttm -144.19 131.79 21.14 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 128.381 2.672 . . . . 0.0 107.807 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -135.41 120.42 18.7 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 104.363 -2.458 . . . . 0.0 104.363 173.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . 0.382 10.8 pt-20 66.67 25.86 9.76 Favored 'General case' 0 C--N 1.356 0.876 1 C-N-CA 132.742 4.417 . . . . 0.0 115.633 176.396 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.24 -1.83 70.49 Favored Glycine 0 C--N 1.357 1.728 0 C-N-CA 126.769 2.128 . . . . 0.0 112.689 -175.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -102.71 125.33 49.41 Favored 'General case' 0 C--N 1.359 0.981 0 O-C-N 121.497 -1.002 . . . . 0.0 109.51 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.77 142.87 29.76 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 127.469 2.308 . . . . 0.0 113.445 -175.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 7' ' ' SER 0.321 0.0 OUTLIER -128.69 144.09 51.08 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 124.524 1.13 . . . . 0.0 108.503 -179.609 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.9 t -106.39 121.48 59.0 Favored 'Isoleucine or valine' 0 C--N 1.349 0.56 0 C-N-CA 126.22 1.808 . . . . 0.0 108.258 -169.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.23 137.58 33.41 Favored 'General case' 0 C--N 1.368 1.394 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -93.27 97.89 10.91 Favored 'General case' 0 C--N 1.366 1.313 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 -177.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt 69.18 -125.38 0.12 Allowed 'General case' 0 C--N 1.362 1.142 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 172.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.2 mt -152.36 176.64 11.42 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 128.088 2.555 . . . . 0.0 105.743 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.1 47.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.004 0 C-N-CA 128.533 2.733 . . . . 0.0 117.008 -175.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . 0.367 0.6 OUTLIER 42.67 -115.41 0.34 Allowed 'General case' 0 C--N 1.367 1.36 0 C-N-CA 128.849 2.86 . . . . 0.0 118.579 -179.782 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -113.37 18.82 17.49 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 125.127 1.371 . . . . 0.0 111.852 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -82.76 11.12 6.3 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.869 2.067 . . . . 0.0 115.04 -176.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 54.3 t -117.46 116.02 50.54 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 C-N-CA 126.946 2.098 . . . . 0.0 105.351 174.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.7 mp -136.7 155.01 32.9 Favored 'Isoleucine or valine' 0 C--N 1.36 1.027 0 N-CA-C 102.899 -3.0 . . . . 0.0 102.899 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 24.0 m -109.17 141.89 40.75 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 127.106 2.162 . . . . 0.0 109.186 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -98.61 124.2 43.25 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 125.282 1.433 . . . . 0.0 109.647 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.1 p -71.63 -21.27 61.85 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 127.453 2.301 . . . . 0.0 115.381 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -90.39 -7.87 52.1 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 126.368 1.867 . . . . 0.0 113.541 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.52 1.99 82.82 Favored Glycine 0 C--N 1.367 2.26 0 O-C-N 120.581 -1.324 . . . . 0.0 115.122 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 25.3 m -65.04 151.68 9.61 Favored 'Isoleucine or valine' 0 C--N 1.362 1.12 0 C-N-CA 130.231 3.413 . . . . 0.0 115.587 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.1 t -47.95 142.23 5.17 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 127.333 2.253 . . . . 0.0 116.465 -177.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 44.4 tttp -126.28 140.46 52.51 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 105.398 -2.075 . . . . 0.0 105.398 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -134.51 127.63 31.77 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.57 144.22 15.82 Favored Glycine 0 C--N 1.351 1.403 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 11.6 tt -115.27 116.1 51.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 103.921 -2.622 . . . . 0.0 103.921 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 31.7 mt -106.1 115.73 48.38 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 -177.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -102.82 131.38 49.73 Favored 'General case' 0 C--N 1.363 1.185 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 175.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . 0.252 14.0 t -118.72 132.31 68.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 172.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -116.05 123.66 48.49 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 102.895 -3.002 . . . . 0.0 102.895 176.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.71 133.45 52.12 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 126.119 1.767 . . . . 0.0 106.745 -172.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 89.7 m -131.35 143.16 50.29 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.853 -1.154 . . . . 0.0 109.744 -171.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.64 115.14 43.59 Favored 'Isoleucine or valine' 0 C--N 1.364 1.212 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 176.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -89.28 -39.49 13.45 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 125.753 1.621 . . . . 0.0 110.773 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . 0.284 79.5 m-20 81.31 66.39 0.02 OUTLIER 'General case' 0 C--N 1.356 0.866 0 C-N-CA 129.789 3.236 . . . . 0.0 114.381 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -118.19 30.83 7.01 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 125.657 1.583 . . . . 0.0 108.77 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 8.3 t -117.64 105.38 11.97 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 127.427 2.291 . . . . 0.0 106.983 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.901 0 C-N-CA 124.973 1.273 . . . . 0.0 112.857 -177.486 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 . . . . . 0 N--CA 1.441 -0.889 0 CA-C-O 121.502 0.668 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 165.66 138.47 2.43 Favored Glycine 0 C--N 1.35 1.342 0 C-N-CA 126.12 1.819 . . . . 0.0 109.133 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 43.7 tp -164.42 167.9 19.1 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 104.583 -2.377 . . . . 0.0 104.583 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.0 148.92 45.63 Favored 'General case' 0 C--N 1.357 0.907 0 N-CA-C 104.071 -2.566 . . . . 0.0 104.071 174.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -81.74 12.88 3.54 Favored 'General case' 0 C--N 1.362 1.111 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 -177.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -169.55 166.2 10.13 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.345 75.2 mmtt 102.79 -28.21 0.01 OUTLIER 'General case' 0 C--N 1.37 1.488 0 C-N-CA 130.152 3.381 . . . . 0.0 112.978 178.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -70.51 -43.26 70.02 Favored 'General case' 0 C--N 1.364 1.216 0 C-N-CA 127.964 2.506 . . . . 0.0 113.529 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.18 -43.2 78.67 Favored 'General case' 0 C--N 1.363 1.184 0 C-N-CA 125.644 1.577 . . . . 0.0 114.656 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.0 m -61.15 -47.82 84.46 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 125.754 1.622 . . . . 0.0 114.031 177.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.552 49.1 tpt85 -72.15 -37.04 69.49 Favored 'General case' 0 C--O 1.243 0.722 0 C-N-CA 129.022 2.929 . . . . 0.0 114.147 175.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.85 -23.38 18.15 Favored 'General case' 0 CA--C 1.565 1.529 0 O-C-N 118.974 -2.329 . . . . 0.0 115.543 165.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 102' ' ' PHE 0.257 0.3 OUTLIER -60.15 -31.1 69.78 Favored 'General case' 0 C--N 1.383 2.04 0 O-C-N 119.755 -1.841 . . . . 0.0 114.808 161.782 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.262 48.7 mt-30 -69.39 -36.9 77.22 Favored 'General case' 0 C--N 1.378 1.814 0 C-N-CA 126.282 1.833 . . . . 0.0 109.949 173.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -62.41 -40.79 97.66 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 165.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.45 74.83 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 126.762 2.025 . . . . 0.0 112.419 173.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.8 m -69.59 -40.85 76.45 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 129.35 3.06 . . . . 0.0 109.816 174.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.7 -31.24 50.25 Favored 'Isoleucine or valine' 0 C--N 1.377 1.8 0 O-C-N 119.729 -1.857 . . . . 0.0 111.708 166.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -68.1 -36.93 80.57 Favored 'General case' 0 C--N 1.367 1.364 0 N-CA-C 116.293 1.96 . . . . 0.0 116.293 169.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.572 ' HB3' ' HG2' ' A' ' 93' ' ' LYS 0.273 0.5 OUTLIER -65.79 -35.49 80.85 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-N 120.407 1.458 . . . . 0.0 113.485 163.565 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.546 HD13 HG21 ' A' ' 31' ' ' VAL . 49.1 mt -65.59 -36.19 83.03 Favored 'General case' 0 C--N 1.366 1.314 0 CA-C-N 120.515 1.507 . . . . 0.0 115.011 174.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -83.2 -26.17 31.09 Favored 'General case' 0 C--N 1.373 1.621 0 C-N-CA 123.277 0.631 . . . . 0.0 112.14 173.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 m -83.31 -20.69 33.92 Favored 'General case' 0 C--N 1.382 1.992 0 O-C-N 120.604 -1.31 . . . . 0.0 113.128 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -91.38 94.05 9.32 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-O 123.266 1.508 . . . . 0.0 111.065 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.35 3.5 pt20 -53.65 -37.95 57.07 Favored Pre-proline 0 C--N 1.359 0.987 0 N-CA-C 119.246 3.054 . . . . 0.0 119.246 178.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -63.76 -19.03 66.46 Favored 'Trans proline' 0 C--N 1.362 1.283 0 C-N-CA 125.179 3.919 . . . . 0.0 114.107 167.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.92 -19.86 58.46 Favored 'General case' 0 C--N 1.376 1.736 0 CA-C-N 121.474 1.943 . . . . 0.0 113.819 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 59.6 mtt -66.81 -28.96 68.79 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 129.674 3.19 . . . . 0.0 114.059 177.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -94.41 -12.85 27.03 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 128.147 2.579 . . . . 0.0 111.782 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 25.8 mmt -102.62 -35.37 8.73 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 127.782 2.433 . . . . 0.0 114.677 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.403 HG21 ' HB ' ' A' ' 31' ' ' VAL . 3.1 p -123.52 145.36 30.64 Favored 'Isoleucine or valine' 0 C--N 1.363 1.18 0 O-C-N 120.263 -1.523 . . . . 0.0 109.701 177.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -102.17 -43.34 5.76 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 125.518 2.58 . . . . 0.0 113.267 177.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.719 0.0 OUTLIER -114.69 41.08 2.43 Favored 'General case' 0 CA--C 1.49 -1.336 1 C-N-CA 133.903 4.881 . . . . 0.0 117.126 -166.596 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.546 HG21 HD13 ' A' ' 18' ' ' LEU . 7.6 p -85.15 111.91 21.35 Favored 'Isoleucine or valine' 0 C--N 1.358 0.972 0 O-C-N 120.371 -1.456 . . . . 0.0 110.037 -176.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 t -145.84 162.15 38.36 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-O 123.6 1.667 . . . . 0.0 115.058 -173.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -110.87 47.89 0.96 Allowed 'General case' 0 C--N 1.363 1.181 0 C-N-CA 127.36 2.264 . . . . 0.0 107.789 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.5 p -152.38 168.09 11.99 Favored Pre-proline 0 C--N 1.352 0.7 0 C-N-CA 126.926 2.091 . . . . 0.0 107.527 -175.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -70.51 141.38 42.05 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 124.42 3.413 . . . . 0.0 112.784 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.23 51.71 0.02 OUTLIER Glycine 0 C--N 1.357 1.735 0 N-CA-C 106.452 -2.659 . . . . 0.0 106.452 -172.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.29 -13.65 51.93 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 126.824 2.049 . . . . 0.0 111.962 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -106.43 15.76 25.57 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 130.51 3.524 . . . . 0.0 111.737 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -90.23 166.97 18.01 Favored Pre-proline 0 C--N 1.364 1.211 0 CA-C-O 116.724 -1.607 . . . . 0.0 112.052 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -65.26 139.23 59.24 Favored 'Trans proline' 0 C--N 1.364 1.386 0 C-N-CA 124.802 3.668 . . . . 0.0 118.617 -168.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -81.3 127.06 75.08 Favored Pre-proline 0 C--N 1.356 0.877 0 C-N-CA 129.151 2.98 . . . . 0.0 114.464 -176.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -81.26 149.63 75.68 Favored 'Cis proline' 0 CA--C 1.554 1.507 0 CA-C-N 123.75 2.375 . . . . 0.0 115.021 0.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -165.35 166.69 18.44 Favored 'General case' 0 C--N 1.372 1.559 0 C-N-CA 125.02 1.328 . . . . 0.0 112.899 -174.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.4 t -138.53 138.54 42.51 Favored 'Isoleucine or valine' 0 C--N 1.389 2.297 0 CA-C-O 122.934 1.35 . . . . 0.0 113.152 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.468 HG22 ' CH2' ' A' ' 71' ' ' TRP . 16.6 m -117.41 143.66 27.29 Favored 'Isoleucine or valine' 0 C--N 1.359 1.002 0 O-C-N 120.779 -1.2 . . . . 0.0 107.79 163.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.9 mt -110.38 136.42 46.44 Favored 'Isoleucine or valine' 0 C--N 1.36 1.032 0 C-N-CA 127.149 2.179 . . . . 0.0 106.742 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.66 -118.27 0.77 Allowed Glycine 0 CA--C 1.495 -1.158 0 O-C-N 120.59 -1.319 . . . . 0.0 111.758 177.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -142.34 148.46 37.99 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 127.835 2.454 . . . . 0.0 105.214 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.419 ' HG3' HG13 ' A' ' 124' ' ' ILE . 0.0 OUTLIER -86.9 142.04 28.31 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 128.132 2.573 . . . . 0.0 117.553 -171.638 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.5 m -46.97 -18.99 0.09 Allowed 'General case' 0 C--N 1.371 1.539 1 C-N-CA 132.378 4.271 . . . . 0.0 121.094 -178.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 80.9 p -83.88 -28.41 27.97 Favored 'General case' 0 C--N 1.371 1.532 0 C-N-CA 124.835 1.254 . . . . 0.0 111.478 173.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.347 58.4 p 85.96 126.59 0.03 OUTLIER Pre-proline 0 C--N 1.363 1.162 0 C-N-CA 130.154 3.381 . . . . 0.0 117.202 173.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -84.62 133.49 5.24 Favored 'Trans proline' 0 CA--C 1.548 1.18 0 C-N-CA 123.867 3.044 . . . . 0.0 111.113 171.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -132.07 139.75 48.63 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 123.832 0.853 . . . . 0.0 108.794 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 73.53 64.49 0.09 Allowed 'General case' 0 C--N 1.363 1.187 0 C-N-CA 128.476 2.711 . . . . 0.0 115.546 177.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.1 p -122.85 109.4 14.13 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -81.97 60.07 4.63 Favored 'General case' 0 C--N 1.362 1.109 0 CA-C-O 123.59 1.662 . . . . 0.0 113.519 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.4 p -96.82 12.47 32.02 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 128.797 2.839 . . . . 0.0 112.189 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.7 m -67.21 -33.65 75.81 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 129.592 3.157 . . . . 0.0 116.403 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -149.52 56.78 0.99 Allowed 'General case' 0 C--N 1.352 0.715 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -152.12 136.01 5.25 Favored Glycine 0 C--N 1.348 1.246 0 N-CA-C 104.559 -3.416 . . . . 0.0 104.559 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -77.7 67.23 3.55 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 117.43 2.381 . . . . 0.0 117.43 -172.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -118.03 169.95 9.25 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 123.053 1.406 . . . . 0.0 112.453 176.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 mp -137.4 135.04 46.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 N-CA-C 100.548 -3.871 . . . . 0.0 100.548 176.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 t -131.97 129.2 39.87 Favored 'General case' 0 C--N 1.359 1.022 0 N-CA-C 104.914 -2.254 . . . . 0.0 104.914 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 41.9 mtp -127.32 128.18 45.52 Favored 'General case' 0 CA--C 1.501 -0.936 0 C-N-CA 126.434 1.894 . . . . 0.0 108.982 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.53 144.85 44.68 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 166.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -127.26 136.52 52.11 Favored 'General case' 0 C--O 1.244 0.767 0 N-CA-C 104.066 -2.568 . . . . 0.0 104.066 174.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -119.28 117.89 29.79 Favored 'General case' 0 C--N 1.359 0.994 0 N-CA-C 102.343 -3.206 . . . . 0.0 102.343 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.2 m -127.68 126.4 66.96 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 -168.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.468 ' CH2' HG22 ' A' ' 45' ' ' VAL . 4.6 m-90 -124.61 137.19 54.4 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 117.954 -1.499 . . . . 0.0 107.461 177.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.4 171.45 21.9 Favored Glycine 0 C--N 1.356 1.684 0 N-CA-C 107.539 -2.224 . . . . 0.0 107.539 172.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -144.67 149.24 21.32 Favored Glycine 0 C--N 1.349 1.294 0 N-CA-C 107.48 -2.248 . . . . 0.0 107.48 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.255 88.7 m 138.76 -58.74 0.0 OUTLIER 'General case' 0 C--N 1.364 1.21 0 C-N-CA 130.417 3.487 . . . . 0.0 108.585 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.9 m -160.42 155.98 25.36 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -56.63 -35.32 68.19 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 128.848 2.859 . . . . 0.0 116.761 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.28 80.1 Favored 'General case' 0 C--N 1.364 1.199 0 C-N-CA 129.745 3.218 . . . . 0.0 114.222 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -61.5 -33.48 73.87 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 128.452 2.701 . . . . 0.0 113.502 176.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.27 -34.15 77.67 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 127.36 2.264 . . . . 0.0 113.236 173.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -77.81 -34.92 51.86 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 126.879 2.071 . . . . 0.0 111.68 174.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.7 -43.85 83.26 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 126.797 2.039 . . . . 0.0 113.335 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.0 pt -67.27 -37.56 79.32 Favored 'Isoleucine or valine' 0 C--N 1.374 1.641 0 C-N-CA 126.003 1.721 . . . . 0.0 112.348 174.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 t -68.4 -39.29 81.7 Favored 'General case' 0 C--N 1.372 1.548 0 C-N-CA 126.7 2.0 . . . . 0.0 112.519 173.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.9 t -59.3 -37.69 78.37 Favored 'General case' 0 C--N 1.374 1.669 0 C-N-CA 128.258 2.623 . . . . 0.0 112.228 168.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -44.1 73.02 Favored 'General case' 0 C--N 1.373 1.6 0 C-N-CA 126.985 2.114 . . . . 0.0 114.011 170.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.349 1.7 p -67.99 -41.03 84.23 Favored 'Isoleucine or valine' 0 C--N 1.381 1.955 0 CA-C-N 121.861 2.119 . . . . 0.0 112.976 176.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.28 -44.47 96.45 Favored 'General case' 0 C--N 1.372 1.572 0 C-N-CA 130.522 3.529 . . . . 0.0 112.242 172.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -61.58 -41.0 96.78 Favored 'General case' 0 C--N 1.377 1.773 0 C-N-CA 126.021 1.728 . . . . 0.0 113.679 170.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.454 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -58.83 -51.24 70.85 Favored 'General case' 0 C--N 1.376 1.72 0 CA-C-N 120.497 1.499 . . . . 0.0 112.744 168.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.9 mt -53.15 -40.23 64.13 Favored 'General case' 0 C--N 1.383 2.034 0 N-CA-C 116.916 2.191 . . . . 0.0 116.916 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.365 0.2 OUTLIER -100.03 9.18 43.29 Favored 'General case' 0 C--N 1.369 1.454 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 170.539 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.454 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 0.5 OUTLIER -77.93 -49.71 13.63 Favored 'General case' 0 C--N 1.363 1.169 0 O-C-N 119.114 -2.241 . . . . 0.0 107.07 178.803 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.572 ' HG2' ' HB3' ' A' ' 17' ' ' ASN 0.286 12.9 ptpt -117.99 113.93 37.43 Favored Pre-proline 0 C--N 1.357 0.908 0 N-CA-C 103.579 -2.749 . . . . 0.0 103.579 169.625 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -62.04 149.82 88.9 Favored 'Trans proline' 0 C--N 1.37 1.689 0 C-N-CA 124.544 3.496 . . . . 0.0 114.921 -172.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.6 mt -73.81 107.66 6.18 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -171.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 47.2 ttm -144.49 141.44 29.55 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 126.253 1.821 . . . . 0.0 111.268 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -137.33 110.61 7.87 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 66.1 12.63 8.63 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 130.535 3.534 . . . . 0.0 115.769 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.43 -2.11 34.66 Favored Glycine 0 C--N 1.348 1.215 0 C-N-CA 125.776 1.655 . . . . 0.0 111.119 -170.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -93.34 123.57 36.72 Favored 'General case' 0 C--N 1.37 1.5 0 CA-C-N 120.149 1.975 . . . . 0.0 109.127 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.23 137.86 40.8 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 127.323 2.249 . . . . 0.0 112.788 -175.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -132.68 117.1 17.46 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 126.999 2.119 . . . . 0.0 107.687 -179.276 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.1 t -109.85 146.25 15.44 Favored 'Isoleucine or valine' 0 C--N 1.362 1.116 0 C-N-CA 125.806 1.642 . . . . 0.0 108.885 -174.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.01 124.22 28.99 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 126.264 1.825 . . . . 0.0 115.126 -171.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -142.99 95.08 2.71 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 125.746 1.618 . . . . 0.0 107.906 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt 112.1 114.77 0.0 OUTLIER 'General case' 0 C--N 1.366 1.322 0 C-N-CA 130.213 3.405 . . . . 0.0 109.739 -177.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.9 tp -148.14 144.64 27.92 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 104.091 -2.559 . . . . 0.0 104.091 -176.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . 0.358 88.6 t 111.1 154.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.369 1.44 0 C-N-CA 130.311 3.444 . . . . 0.0 109.3 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 13.9 tp -171.61 -172.49 1.05 Allowed 'General case' 0 C--N 1.366 1.311 0 C-N-CA 129.996 3.318 . . . . 0.0 102.377 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -163.63 -170.05 2.1 Favored 'General case' 0 C--N 1.36 1.032 0 CA-C-N 121.17 1.804 . . . . 0.0 110.4 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . 0.302 3.6 tp-100 116.5 142.47 0.0 OUTLIER 'General case' 0 C--N 1.37 1.49 0 C-N-CA 130.326 3.45 . . . . 0.0 113.637 175.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 40.0 t -115.66 129.66 71.61 Favored 'Isoleucine or valine' 0 C--N 1.363 1.162 0 C-N-CA 127.204 2.202 . . . . 0.0 105.653 174.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.9 tp -111.23 139.35 35.62 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 C-N-CA 125.756 1.622 . . . . 0.0 107.839 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 15.0 p -91.18 115.67 28.21 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 126.606 1.963 . . . . 0.0 113.259 -178.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 54.7 p-10 -100.68 171.61 7.59 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 125.006 1.323 . . . . 0.0 112.823 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.1 m -52.5 -31.13 33.67 Favored 'General case' 0 C--N 1.368 1.386 0 C-N-CA 131.152 3.781 . . . . 0.0 117.995 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -87.74 -14.7 39.06 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 127.118 2.167 . . . . 0.0 113.704 178.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 79.84 -5.58 61.43 Favored Glycine 0 C--N 1.363 2.045 0 C-N-CA 127.772 2.606 . . . . 0.0 117.474 176.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.2 p -127.77 100.72 6.38 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 N-CA-C 103.957 -2.609 . . . . 0.0 103.957 174.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.5 m -91.6 130.68 37.37 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 126.934 2.094 . . . . 0.0 112.369 -176.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -113.54 110.39 20.18 Favored 'General case' 0 C--N 1.362 1.13 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 169.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -137.95 137.56 38.09 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 125.417 1.487 . . . . 0.0 108.491 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -114.34 134.97 12.07 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 107.118 -2.393 . . . . 0.0 107.118 166.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.419 HG13 ' HG3' ' A' ' 49' ' ' GLN . 0.4 OUTLIER -123.64 127.31 73.92 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.744 0 N-CA-C 103.166 -2.902 . . . . 0.0 103.166 176.209 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.4 tp -133.95 124.91 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 N-CA-C 103.899 -2.63 . . . . 0.0 103.899 -177.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -132.63 134.11 44.47 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 -175.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.2 p -144.14 140.51 24.78 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 CA-C-O 122.576 1.179 . . . . 0.0 109.61 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 53.2 ttm-85 -118.77 140.02 50.62 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 126.437 1.895 . . . . 0.0 107.976 175.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -124.63 152.92 43.01 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 125.323 1.449 . . . . 0.0 109.333 -178.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.8 m -109.73 140.38 43.68 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 125.518 1.527 . . . . 0.0 109.375 176.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 9.3 tt -125.8 117.88 50.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 103.079 -2.934 . . . . 0.0 103.079 172.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 87.49 152.23 0.06 Allowed 'General case' 0 C--N 1.362 1.14 0 C-N-CA 129.78 3.232 . . . . 0.0 111.619 -175.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -122.18 -96.07 0.47 Allowed 'General case' 0 C--N 1.354 0.802 0 O-C-N 121.406 -0.809 . . . . 0.0 110.522 -176.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -80.09 -28.38 39.09 Favored 'General case' 0 C--N 1.362 1.129 0 N-CA-C 115.821 1.786 . . . . 0.0 115.821 -175.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 31.0 m -118.04 135.57 54.09 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 126.182 1.793 . . . . 0.0 106.265 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.364 2.094 0 C-N-CA 124.699 1.142 . . . . 0.0 113.455 177.913 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 . . . . . 0 N--CA 1.442 -0.852 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -105.23 157.68 16.31 Favored Glycine 0 C--N 1.354 1.577 0 C-N-CA 126.812 2.148 . . . . 0.0 110.525 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . 0.312 3.1 mm? 82.66 29.16 0.11 Allowed 'General case' 0 C--N 1.361 1.099 0 C-N-CA 128.168 2.587 . . . . 0.0 112.657 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -76.75 84.0 3.36 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 128.018 2.527 . . . . 0.0 111.548 177.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.5 p -80.61 85.28 6.03 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 127.006 2.123 . . . . 0.0 113.893 -176.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.287 0.1 OUTLIER -76.32 62.07 1.75 Allowed 'General case' 0 C--N 1.365 1.275 0 O-C-N 119.599 -1.938 . . . . 0.0 115.595 -179.663 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -73.27 -13.57 61.15 Favored 'General case' 0 C--N 1.372 1.55 0 C-N-CA 129.151 2.981 . . . . 0.0 110.33 172.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.7 mt -72.8 -28.31 62.49 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 131.049 3.74 . . . . 0.0 111.277 171.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.2 80.37 Favored 'General case' 0 C--N 1.378 1.834 0 C-N-CA 126.22 1.808 . . . . 0.0 114.505 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.6 m -64.92 -47.34 78.08 Favored 'General case' 0 C--N 1.365 1.242 0 CA-C-O 124.578 2.133 . . . . 0.0 112.943 176.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.49 56.2 ttp180 -73.85 -38.75 64.38 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 128.666 2.786 . . . . 0.0 115.291 174.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -23.48 65.22 Favored 'General case' 0 C--N 1.365 1.278 0 O-C-N 118.026 -2.921 . . . . 0.0 114.077 168.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.475 HD22 ' CD1' ' A' ' 102' ' ' PHE 0.445 0.2 OUTLIER -68.36 -28.62 67.28 Favored 'General case' 0 C--N 1.372 1.571 0 O-C-N 119.422 -2.049 . . . . 0.0 112.332 166.717 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -43.02 99.29 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 126.068 1.747 . . . . 0.0 111.554 170.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.384 0.0 OUTLIER -65.06 -30.17 71.11 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 170.726 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.65 -33.37 70.89 Favored 'General case' 0 C--N 1.365 1.28 0 O-C-N 120.367 -1.458 . . . . 0.0 114.515 167.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.273 28.9 p -69.03 -40.04 78.86 Favored 'General case' 0 C--N 1.382 2.022 0 C-N-CA 125.415 1.486 . . . . 0.0 110.844 168.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.45 -39.02 83.0 Favored 'Isoleucine or valine' 0 C--N 1.365 1.239 0 C-N-CA 124.782 1.233 . . . . 0.0 113.655 174.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -70.27 -29.06 65.73 Favored 'General case' 0 C--N 1.367 1.357 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 170.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -64.05 -44.85 91.19 Favored 'General case' 0 C--N 1.372 1.586 0 O-C-N 119.113 -2.242 . . . . 0.0 111.788 168.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.6 mt -64.44 -31.4 72.59 Favored 'General case' 0 C--N 1.362 1.147 0 O-C-N 120.794 -1.192 . . . . 0.0 113.993 175.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -33.58 65.9 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 126.271 1.828 . . . . 0.0 112.756 168.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.0 m -81.93 -18.41 43.71 Favored 'General case' 0 C--N 1.376 1.761 0 C-N-CA 125.937 1.695 . . . . 0.0 115.239 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -87.24 99.53 12.02 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 120.557 -1.339 . . . . 0.0 111.61 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.41 7.0 pt20 -42.15 -48.42 11.54 Favored Pre-proline 0 C--N 1.364 1.213 0 N-CA-C 121.064 3.727 . . . . 0.0 121.064 -177.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -66.5 -22.95 50.89 Favored 'Trans proline' 0 CA--C 1.551 1.357 0 CA-C-N 127.839 3.835 . . . . 0.0 115.609 166.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.45 -32.13 67.98 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-N 121.819 2.099 . . . . 0.0 113.147 -177.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 46.5 mtp -56.66 -28.45 60.7 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 130.246 3.418 . . . . 0.0 114.556 166.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -94.95 -14.69 24.2 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.169 2.188 . . . . 0.0 112.384 175.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.15 -39.18 10.71 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 127.714 2.406 . . . . 0.0 110.678 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 m -134.17 144.87 34.12 Favored 'Isoleucine or valine' 0 C--N 1.364 1.198 0 N-CA-C 104.301 -2.481 . . . . 0.0 104.301 173.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -100.93 -42.66 6.34 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 128.168 2.587 . . . . 0.0 114.011 -176.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.804 14.6 mm-40 -98.43 41.14 1.15 Allowed 'General case' 0 CA--C 1.5 -0.948 1 C-N-CA 133.469 4.707 . . . . 0.0 115.968 -172.63 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -84.99 107.69 16.19 Favored 'Isoleucine or valine' 0 C--N 1.361 1.077 0 CA-C-O 124.351 2.024 . . . . 0.0 106.662 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.6 t -147.4 168.87 20.75 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 112.12 -2.309 . . . . 0.0 112.141 -169.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -101.28 -17.95 16.33 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 127.508 2.323 . . . . 0.0 111.331 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.274 10.6 m -169.5 -67.63 0.0 OUTLIER Pre-proline 0 C--N 1.363 1.182 0 CA-C-O 116.171 -1.871 . . . . 0.0 112.0 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -72.49 136.39 26.03 Favored 'Trans proline' 0 C--N 1.364 1.375 0 CA-C-N 127.241 3.622 . . . . 0.0 111.001 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.93 4.72 57.69 Favored Glycine 0 C--N 1.353 1.523 0 O-C-N 121.224 -0.922 . . . . 0.0 112.453 -168.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.25 0.1 OUTLIER -79.02 -21.58 46.73 Favored 'General case' 0 C--N 1.373 1.605 0 O-C-N 120.387 -1.655 . . . . 0.0 114.977 -179.069 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -99.12 10.89 40.54 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 128.032 2.533 . . . . 0.0 112.551 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.32 164.19 28.3 Favored Pre-proline 0 C--N 1.358 0.961 0 C-N-CA 125.64 1.576 . . . . 0.0 110.257 178.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.25 163.0 15.2 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.754 2.969 . . . . 0.0 114.036 -174.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.413 ' CE1' ' CE1' ' A' ' 43' ' ' TYR . 73.6 m-85 -65.98 147.03 98.99 Favored Pre-proline 0 C--N 1.364 1.204 0 C-N-CA 129.359 3.063 . . . . 0.0 115.195 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -81.94 147.9 68.84 Favored 'Cis proline' 0 CA--C 1.549 1.253 0 CA-C-N 121.131 1.44 . . . . 0.0 114.253 2.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.413 ' CE1' ' CE1' ' A' ' 41' ' ' TYR . 25.8 p90 -166.74 167.82 14.82 Favored 'General case' 0 C--N 1.367 1.337 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.1 t -135.28 128.57 48.83 Favored 'Isoleucine or valine' 0 C--N 1.395 2.547 0 CA-C-O 123.132 1.444 . . . . 0.0 109.709 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.468 HG22 ' CH2' ' A' ' 71' ' ' TRP . 13.7 m -119.04 143.58 29.81 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 O-C-N 120.259 -1.525 . . . . 0.0 110.025 173.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 37.4 mm -78.63 139.85 17.82 Favored 'Isoleucine or valine' 0 C--N 1.366 1.31 0 C-N-CA 127.291 2.236 . . . . 0.0 109.881 170.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.04 -166.01 20.02 Favored Glycine 0 CA--C 1.493 -1.333 0 N-CA-C 107.028 -2.429 . . . . 0.0 107.028 174.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -145.97 145.51 30.68 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 102.996 -2.964 . . . . 0.0 102.996 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -88.45 126.65 35.33 Favored 'General case' 0 C--N 1.359 0.987 0 O-C-N 120.547 -1.346 . . . . 0.0 111.77 -174.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.9 t -131.39 158.36 40.96 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 120.124 -1.61 . . . . 0.0 108.976 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.9 m 167.58 -46.74 0.0 OUTLIER 'General case' 0 C--N 1.356 0.868 0 C-N-CA 130.407 3.483 . . . . 0.0 104.471 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.7 m -91.45 -56.36 0.25 Allowed Pre-proline 0 C--N 1.36 1.023 0 C-N-CA 126.257 1.823 . . . . 0.0 110.818 172.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.08 113.53 3.81 Favored 'Trans proline' 0 C--N 1.368 1.58 0 CA-C-N 125.302 2.929 . . . . 0.0 113.203 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -135.37 101.95 4.99 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 101.299 -3.593 . . . . 0.0 101.299 171.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 64.59 26.35 13.25 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 127.211 2.204 . . . . 0.0 113.731 -173.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.33 157.66 42.77 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 120.649 -1.282 . . . . 0.0 109.421 -174.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -77.36 154.19 33.02 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 128.008 2.523 . . . . 0.0 114.638 -177.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 p -82.87 -50.39 8.66 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 128.735 2.814 . . . . 0.0 114.275 -177.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.1 m -170.43 101.56 0.26 Allowed 'General case' 0 C--N 1.352 0.684 0 CA-C-O 122.366 1.079 . . . . 0.0 110.019 173.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 76.42 -70.74 0.13 Allowed 'General case' 0 C--N 1.364 1.221 0 C-N-CA 129.246 3.018 . . . . 0.0 114.87 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 139.11 -36.47 1.87 Allowed Glycine 0 C--N 1.354 1.56 0 C-N-CA 127.108 2.289 . . . . 0.0 108.384 -172.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -93.08 49.14 1.39 Allowed 'General case' 0 C--N 1.357 0.901 0 C-N-CA 127.604 2.361 . . . . 0.0 112.69 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -156.94 159.18 37.84 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 102.071 -3.307 . . . . 0.0 102.071 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.1 121.81 60.43 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 N-CA-C 102.008 -3.331 . . . . 0.0 102.008 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.3 p -128.43 119.32 24.73 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-O 117.146 -1.407 . . . . 0.0 108.801 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 3.7 tpt -154.19 162.14 41.38 Favored 'General case' 0 C--N 1.37 1.488 0 CA-C-N 119.409 1.004 . . . . 0.0 109.991 174.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.38 163.88 28.69 Favored 'General case' 0 C--N 1.36 1.033 0 O-C-N 119.897 -1.752 . . . . 0.0 110.046 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.63 150.23 49.57 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 104.201 -2.518 . . . . 0.0 104.201 172.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -112.04 118.82 36.46 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 100.262 -3.977 . . . . 0.0 100.262 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.8 t -119.52 111.65 33.94 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.15 0 N-CA-C 103.916 -2.624 . . . . 0.0 103.916 -168.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.468 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -133.93 139.56 46.21 Favored 'General case' 0 C--N 1.366 1.306 0 C-N-CA 116.145 -2.222 . . . . 0.0 107.964 -177.014 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -127.83 174.19 18.67 Favored Glycine 0 C--N 1.36 1.87 0 CA-C-O 122.116 0.842 . . . . 0.0 111.916 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -129.45 -154.2 8.1 Favored Glycine 0 C--N 1.357 1.746 0 C-N-CA 128.582 2.991 . . . . 0.0 108.511 177.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.9 m 73.15 -62.87 0.46 Allowed 'General case' 0 C--N 1.364 1.2 0 C-N-CA 127.736 2.414 . . . . 0.0 117.215 172.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.0 m -159.41 155.17 26.17 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 125.279 1.432 . . . . 0.0 107.702 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.73 -34.24 38.19 Favored 'General case' 0 C--N 1.366 1.311 1 C-N-CA 132.406 4.282 . . . . 0.0 116.017 177.21 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.57 -35.15 77.0 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 130.08 3.352 . . . . 0.0 113.918 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -60.93 -33.11 72.65 Favored 'General case' 0 C--N 1.372 1.557 0 C-N-CA 127.853 2.461 . . . . 0.0 114.386 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.68 -39.42 80.59 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 130.532 3.533 . . . . 0.0 113.824 174.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -40.2 63.49 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 127.77 2.428 . . . . 0.0 110.186 174.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -62.56 -42.17 99.37 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 127.008 2.123 . . . . 0.0 112.933 171.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.283 14.8 pt -67.17 -44.89 87.54 Favored 'Isoleucine or valine' 0 C--N 1.373 1.619 0 CA-C-N 121.033 1.742 . . . . 0.0 112.773 172.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.4 t -67.65 -44.09 78.74 Favored 'General case' 0 C--N 1.367 1.342 0 CA-C-N 120.965 1.711 . . . . 0.0 114.74 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.2 t -67.24 -34.74 78.1 Favored 'General case' 0 C--N 1.371 1.533 0 C-N-CA 127.391 2.276 . . . . 0.0 113.51 174.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -75.42 -29.78 59.84 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 125.929 1.692 . . . . 0.0 111.662 173.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.1 t -66.76 -49.56 73.4 Favored 'Isoleucine or valine' 0 C--N 1.383 2.048 0 C-N-CA 127.789 2.435 . . . . 0.0 111.169 171.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.36 3.4 pp -65.01 -37.11 86.58 Favored 'General case' 0 C--N 1.378 1.825 0 O-C-N 119.722 -1.861 . . . . 0.0 114.333 175.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.45 -45.3 94.86 Favored 'General case' 0 C--N 1.376 1.73 0 C-N-CA 126.352 1.861 . . . . 0.0 112.282 170.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.55 -54.01 50.59 Favored 'General case' 0 C--N 1.375 1.686 0 C-N-CA 126.553 1.941 . . . . 0.0 113.466 170.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 27.5 mt -48.77 -31.91 7.74 Favored 'General case' 0 C--N 1.381 1.955 0 C-N-CA 128.463 2.705 . . . . 0.0 116.407 176.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.537 0.3 OUTLIER -110.53 9.52 23.17 Favored 'General case' 0 C--N 1.374 1.635 0 N-CA-C 116.766 2.136 . . . . 0.0 116.766 162.784 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -44.58 35.9 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 117.814 -3.054 . . . . 0.0 108.517 175.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.67 142.31 24.68 Favored Pre-proline 0 C--N 1.358 0.956 0 N-CA-C 102.17 -3.27 . . . . 0.0 102.17 173.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -79.65 155.67 24.24 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 124.267 3.312 . . . . 0.0 111.275 -175.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.8 mt -90.37 107.34 19.09 Favored 'General case' 0 C--N 1.366 1.313 0 CA-C-O 123.792 1.758 . . . . 0.0 108.705 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.1 ttt -144.55 135.06 24.59 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 112.716 -2.038 . . . . 0.0 109.893 -168.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -133.53 108.66 8.75 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 175.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 74.01 18.29 3.26 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 129.832 3.253 . . . . 0.0 114.2 176.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.48 5.16 57.01 Favored Glycine 0 C--N 1.354 1.544 0 C-N-CA 125.733 1.635 . . . . 0.0 112.322 -174.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -101.1 125.05 47.69 Favored 'General case' 0 C--N 1.36 1.059 0 CA-C-N 118.725 1.262 . . . . 0.0 110.617 -177.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.7 p -93.45 133.5 36.66 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 127.944 2.498 . . . . 0.0 114.734 -176.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.475 ' CD1' HD22 ' A' ' 10' ' ' LEU 0.287 0.0 OUTLIER -133.76 152.72 51.95 Favored 'General case' 0 C--N 1.363 1.156 0 O-C-N 121.061 -1.025 . . . . 0.0 108.563 179.568 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.8 t -106.46 117.1 51.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.026 0 C-N-CA 127.206 2.202 . . . . 0.0 111.62 -169.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.35 138.17 33.64 Favored 'General case' 0 C--N 1.366 1.315 0 N-CA-C 118.582 2.808 . . . . 0.0 118.582 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -120.39 145.78 46.84 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 126.451 1.9 . . . . 0.0 107.906 170.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.416 ' HG3' ' H ' ' A' ' 107' ' ' LEU . 17.7 pttm -157.08 -79.76 0.07 Allowed 'General case' 0 C--N 1.364 1.196 0 O-C-N 120.207 -1.558 . . . . 0.0 111.605 176.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.416 ' H ' ' HG3' ' A' ' 106' ' ' LYS 0.306 54.7 mt 79.3 53.74 0.02 OUTLIER 'General case' 0 C--N 1.356 0.866 0 C-N-CA 127.884 2.473 . . . . 0.0 114.564 -178.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 m -111.28 107.42 22.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 C-N-CA 127.279 2.232 . . . . 0.0 106.868 175.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -112.11 -142.62 0.39 Allowed 'General case' 0 C--N 1.357 0.919 0 C-N-CA 125.605 1.562 . . . . 0.0 109.348 -175.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -88.49 51.63 2.23 Favored 'General case' 0 C--N 1.362 1.114 0 O-C-N 120.206 -1.559 . . . . 0.0 113.127 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -87.37 51.49 2.25 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 126.499 1.92 . . . . 0.0 111.328 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.8 m -112.61 139.27 38.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 C-N-CA 129.535 3.134 . . . . 0.0 109.305 -176.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 37.1 mt -106.49 142.18 19.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 C-N-CA 125.533 1.533 . . . . 0.0 109.475 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.7 m -75.83 125.26 28.74 Favored 'General case' 0 C--N 1.365 1.266 0 C-N-CA 128.852 2.861 . . . . 0.0 113.647 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -116.25 142.09 47.29 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.8 p -68.67 -21.39 64.44 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 128.067 2.547 . . . . 0.0 115.695 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -90.4 -19.24 24.18 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 126.711 2.004 . . . . 0.0 113.029 176.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 78.58 40.43 18.58 Favored Glycine 0 C--N 1.367 2.259 0 C-N-CA 125.458 1.504 . . . . 0.0 114.078 -175.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 13.3 p -89.42 149.31 4.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 C-N-CA 127.582 2.353 . . . . 0.0 110.199 -178.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 6.3 p -81.74 141.87 33.16 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 125.079 2.371 . . . . 0.0 116.735 -175.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -101.78 114.56 28.74 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 172.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.06 148.74 23.21 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 127.175 2.19 . . . . 0.0 107.034 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.4 158.09 22.59 Favored Glycine 0 CA--C 1.488 -1.653 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.89 115.8 50.61 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 1 N-CA-C 99.201 -4.37 . . . . 0.0 99.201 172.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 49.6 mt -117.56 117.2 54.31 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 C-N-CA 125.06 1.344 . . . . 0.0 108.314 -171.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -92.42 131.77 37.31 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-O 122.784 1.278 . . . . 0.0 109.12 172.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.42 126.74 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 171.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -119.88 128.05 53.29 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 103.919 -2.622 . . . . 0.0 103.919 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -128.19 141.36 51.49 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 102.227 -3.249 . . . . 0.0 102.227 -173.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 86.5 m -132.51 144.75 50.65 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 105.944 -1.873 . . . . 0.0 105.944 -170.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.69 111.41 21.91 Favored 'Isoleucine or valine' 0 C--N 1.362 1.129 0 O-C-N 120.195 -1.566 . . . . 0.0 111.26 178.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -159.8 165.9 31.45 Favored 'General case' 0 CA--C 1.504 -0.826 1 N-CA-C 99.551 -4.24 . . . . 0.0 99.551 173.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 76.19 -54.69 0.6 Allowed 'General case' 0 C--N 1.354 0.768 0 C-N-CA 127.398 2.279 . . . . 0.0 113.125 -177.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . 0.314 36.5 m-80 89.6 -43.38 0.02 OUTLIER 'General case' 0 C--N 1.361 1.104 0 C-N-CA 130.703 3.601 . . . . 0.0 115.023 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 23.0 p -92.14 90.45 7.35 Favored 'General case' 0 C--N 1.359 1.001 0 O-C-N 119.802 -1.811 . . . . 0.0 114.123 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.358 1.789 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 175.646 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 . . . . . 0 N--CA 1.439 -1.015 0 CA-C-O 122.322 1.058 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 111.42 -67.89 0.23 Allowed Glycine 0 C--N 1.355 1.602 0 C-N-CA 126.479 1.99 . . . . 0.0 112.798 174.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 98.3 mt -124.38 38.51 4.18 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 124.709 1.204 . . . . 0.0 110.37 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -131.04 21.09 4.9 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 125.141 1.376 . . . . 0.0 109.357 176.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 t -179.4 177.46 0.75 Allowed 'General case' 0 C--N 1.358 0.964 0 C-N-CA 128.658 2.783 . . . . 0.0 104.009 177.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 21.9 t-105 -164.14 94.15 0.72 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 178.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -63.65 -20.99 66.14 Favored 'General case' 0 C--N 1.37 1.498 0 C-N-CA 126.939 2.096 . . . . 0.0 115.297 -177.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.512 HD22 ' H ' ' A' ' 5' ' ' LEU . 1.1 mm? -72.68 -24.38 61.01 Favored 'General case' 0 C--N 1.364 1.216 0 C-N-CA 131.452 3.901 . . . . 0.0 111.312 174.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.32 -33.44 75.98 Favored 'General case' 0 C--N 1.381 1.951 0 C-N-CA 126.102 1.761 . . . . 0.0 113.52 175.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.443 ' O ' HD13 ' A' ' 64' ' ' ILE . 71.2 m -62.3 -48.37 80.15 Favored 'General case' 0 C--N 1.374 1.659 0 C-N-CA 124.311 1.044 . . . . 0.0 113.698 175.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.637 45.6 ttp180 -73.86 -37.29 64.83 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 119.237 -2.164 . . . . 0.0 116.554 169.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.35 -23.43 5.9 Favored 'General case' 0 CA--C 1.573 1.846 0 O-C-N 117.324 -3.36 . . . . 0.0 115.025 168.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.554 HD22 ' HB2' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -59.9 -29.29 68.26 Favored 'General case' 0 C--N 1.375 1.675 0 C-N-CA 128.295 2.638 . . . . 0.0 115.816 163.503 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.505 ' HA ' ' HE2' ' A' ' 66' ' ' MET . 0.7 OUTLIER -70.0 -41.32 74.52 Favored 'General case' 0 C--N 1.382 1.984 0 C-N-CA 128.948 2.899 . . . . 0.0 108.232 172.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -67.32 -30.22 70.0 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 115.07 -0.968 . . . . 0.0 113.135 168.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.44 -40.89 85.45 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 120.306 -1.496 . . . . 0.0 112.324 167.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.521 HG23 HD12 ' A' ' 95' ' ' LEU . 5.5 m -69.14 -36.97 78.02 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 123.951 1.834 . . . . 0.0 111.937 178.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -31.38 51.13 Favored 'Isoleucine or valine' 0 C--N 1.372 1.556 0 C-N-CA 125.224 1.41 . . . . 0.0 112.017 170.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 73.2 tt0 -70.86 -29.8 66.03 Favored 'General case' 0 C--N 1.372 1.562 0 C-N-CA 124.955 1.302 . . . . 0.0 113.394 172.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -68.82 -40.46 79.47 Favored 'General case' 0 C--N 1.368 1.413 0 C-N-CA 125.962 1.705 . . . . 0.0 110.857 171.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mp -59.03 -42.25 89.75 Favored 'General case' 0 C--N 1.377 1.792 0 N-CA-C 114.96 1.466 . . . . 0.0 114.96 169.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.45 ' HG2' ' HA ' ' A' ' 16' ' ' GLU 0.254 8.3 pt-20 -79.33 -16.57 56.11 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 171.108 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.4 m -83.37 -21.98 32.92 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 125.048 1.339 . . . . 0.0 112.867 175.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.443 ' CD2' ' HB2' ' A' ' 89' ' ' ALA . 9.4 t80 -84.58 102.86 13.21 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 124.861 1.265 . . . . 0.0 113.052 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.364 16.2 pt20 -44.52 -47.74 26.61 Favored Pre-proline 0 C--N 1.365 1.244 0 N-CA-C 120.862 3.653 . . . . 0.0 120.862 -179.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -66.42 -20.2 54.75 Favored 'Trans proline' 0 C--N 1.364 1.387 0 CA-C-N 127.55 3.732 . . . . 0.0 115.238 168.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.433 HD23 ' CG2' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -72.28 -34.56 68.28 Favored 'General case' 0 C--N 1.375 1.678 0 CA-C-N 121.346 1.885 . . . . 0.0 112.156 -179.165 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 76.7 mmm -63.08 -28.54 70.15 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 129.704 3.202 . . . . 0.0 116.841 175.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -94.69 -21.64 18.65 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 125.236 1.415 . . . . 0.0 112.197 176.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.7 mmt -86.67 -41.37 14.26 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.14 1.776 . . . . 0.0 112.929 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.433 ' CG2' HD23 ' A' ' 24' ' ' LEU . 16.0 m -126.59 146.05 33.1 Favored 'Isoleucine or valine' 0 C--N 1.364 1.218 0 N-CA-C 103.8 -2.667 . . . . 0.0 103.8 172.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -100.95 -39.29 7.83 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 129.442 3.097 . . . . 0.0 112.191 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.377 16.9 mt-30 -95.96 41.92 1.1 Allowed 'General case' 0 N--CA 1.428 -1.528 1 C-N-CA 140.973 7.709 . . . . 0.0 112.25 -164.078 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.3 t -86.43 106.97 16.2 Favored 'Isoleucine or valine' 0 C--N 1.38 1.895 0 N-CA-C 104.635 -2.357 . . . . 0.0 104.635 176.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 t -146.02 170.07 17.39 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 113.45 -1.705 . . . . 0.0 113.354 -170.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.06 23.0 3.28 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 126.913 2.085 . . . . 0.0 109.382 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 82.2 p -122.98 -164.96 0.06 OUTLIER Pre-proline 0 C--N 1.351 0.655 0 C-N-CA 126.783 2.033 . . . . 0.0 109.611 -171.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -62.77 141.26 84.41 Favored 'Trans proline' 0 C--N 1.371 1.737 0 C-N-CA 123.817 3.011 . . . . 0.0 110.347 160.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 148.16 -5.09 0.88 Allowed Glycine 0 C--N 1.348 1.196 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.793 -165.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.251 0.0 OUTLIER -78.21 -18.27 55.65 Favored 'General case' 0 C--N 1.365 1.25 0 N-CA-C 117.643 2.46 . . . . 0.0 117.643 -175.094 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -106.16 16.34 25.06 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 128.338 2.655 . . . . 0.0 114.628 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.15 179.85 1.2 Allowed Pre-proline 0 C--N 1.355 0.829 0 C-N-CA 127.297 2.239 . . . . 0.0 112.906 -172.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -64.93 131.76 30.01 Favored 'Trans proline' 0 C--N 1.367 1.546 0 C-N-CA 124.6 3.534 . . . . 0.0 115.933 -177.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -78.55 146.47 69.69 Favored Pre-proline 0 C--N 1.354 0.781 1 C-N-CA 132.627 4.371 . . . . 0.0 114.301 -174.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -85.98 148.28 42.13 Favored 'Cis proline' 0 C--N 1.364 1.392 0 CA-C-N 124.827 2.76 . . . . 0.0 114.53 1.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -173.37 169.42 4.44 Favored 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 114.498 1.295 . . . . 0.0 114.498 -175.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 p -138.52 137.48 43.41 Favored 'Isoleucine or valine' 0 C--N 1.406 3.058 0 N-CA-C 116.409 2.004 . . . . 0.0 116.409 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . 0.314 8.4 m -117.77 156.11 19.43 Favored 'Isoleucine or valine' 0 C--N 1.38 1.892 0 O-C-N 120.339 -1.476 . . . . 0.0 111.387 170.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.1 mm -81.69 139.65 17.65 Favored 'Isoleucine or valine' 0 C--N 1.369 1.436 0 C-N-CA 125.169 1.388 . . . . 0.0 110.471 169.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -159.37 -164.14 14.24 Favored Glycine 0 C--N 1.35 1.359 0 N-CA-C 106.067 -2.813 . . . . 0.0 106.067 174.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -146.49 147.66 31.41 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 105.771 -1.936 . . . . 0.0 105.771 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -80.06 135.18 36.29 Favored 'General case' 0 C--N 1.364 1.221 0 CA-C-N 120.76 1.618 . . . . 0.0 114.884 -176.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . 0.308 2.1 t 72.61 -42.6 0.54 Allowed 'General case' 0 C--N 1.363 1.175 0 N-CA-C 118.588 2.81 . . . . 0.0 118.588 176.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.6 p -162.09 -104.52 0.02 OUTLIER 'General case' 0 C--N 1.356 0.873 0 C-N-CA 124.143 0.977 . . . . 0.0 110.259 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.7 m 156.3 123.33 0.0 OUTLIER Pre-proline 0 C--N 1.354 0.775 0 C-N-CA 131.328 3.851 . . . . 0.0 104.066 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -76.13 135.86 17.53 Favored 'Trans proline' 0 C--N 1.361 1.22 0 C-N-CA 124.425 3.417 . . . . 0.0 113.445 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -136.25 130.52 33.18 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.192 1.397 . . . . 0.0 108.286 177.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . 0.256 2.6 tm-20 75.08 89.24 0.09 Allowed 'General case' 0 C--N 1.364 1.238 0 C-N-CA 128.12 2.568 . . . . 0.0 116.105 175.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.2 m -160.74 111.89 1.84 Allowed 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 103.417 -2.809 . . . . 0.0 103.417 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 79.4 tttt 76.9 141.33 0.07 Allowed 'General case' 0 C--N 1.362 1.114 0 C-N-CA 127.991 2.516 . . . . 0.0 114.835 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.6 p -84.72 73.54 10.58 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 118.95 -2.344 . . . . 0.0 111.94 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.7 m -165.1 -64.75 0.03 OUTLIER 'General case' 0 C--N 1.352 0.676 0 C-N-CA 123.512 0.725 . . . . 0.0 109.362 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 75.15 -177.93 0.16 Allowed 'General case' 0 C--N 1.365 1.278 0 C-N-CA 128.055 2.542 . . . . 0.0 116.166 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.48 -40.96 2.45 Favored Glycine 0 C--N 1.368 2.32 0 C-N-CA 127.454 2.454 . . . . 0.0 115.903 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -33.01 -43.52 0.1 Allowed 'General case' 0 C--N 1.367 1.364 1 C-N-CA 134.453 5.101 . . . . 0.0 120.164 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.36 0.6 OUTLIER -136.13 150.6 49.15 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-O 123.589 1.661 . . . . 0.0 110.177 172.136 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.58 HD11 ' CD2' ' A' ' 102' ' ' PHE . 5.2 mt -118.29 132.79 67.12 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 C-N-CA 129.411 3.084 . . . . 0.0 107.103 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.1 p -116.45 118.45 32.71 Favored 'General case' 0 C--N 1.366 1.289 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 171.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.505 ' HE2' ' HA ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -144.96 139.53 27.61 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-N 119.815 1.189 . . . . 0.0 113.374 -175.094 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.0 163.18 25.92 Favored 'General case' 0 C--N 1.363 1.163 0 CA-C-O 124.638 2.161 . . . . 0.0 110.35 174.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.56 ' CZ ' HD11 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -131.8 136.57 47.63 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 101.21 -3.626 . . . . 0.0 101.21 168.253 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -113.24 119.19 36.88 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 -178.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -117.44 131.32 70.51 Favored 'Isoleucine or valine' 0 C--N 1.364 1.214 0 N-CA-C 107.672 -1.232 . . . . 0.0 107.672 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -130.56 123.66 30.05 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.06 -1.056 . . . . 0.0 108.555 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.96 118.8 5.71 Favored Glycine 0 C--N 1.363 2.047 0 C-N-CA 124.439 1.019 . . . . 0.0 111.262 174.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.29 25.95 26.25 Favored Glycine 0 C--N 1.361 1.934 0 C-N-CA 128.019 2.723 . . . . 0.0 114.719 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.7 p -103.79 -81.26 0.52 Allowed 'General case' 0 C--N 1.345 0.39 0 C-N-CA 127.812 2.445 . . . . 0.0 110.027 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -157.13 161.09 39.38 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 106.78 -1.563 . . . . 0.0 106.78 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 -51.64 -35.89 43.9 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 130.266 3.427 . . . . 0.0 117.792 -175.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.48 -36.06 78.42 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 126.113 1.765 . . . . 0.0 113.853 176.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -67.61 -33.15 74.42 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 126.854 2.062 . . . . 0.0 114.452 177.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.411 ' HA ' HG12 ' A' ' 82' ' ' ILE . . . -67.47 -35.09 78.5 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.946 2.098 . . . . 0.0 114.87 173.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -70.52 -38.97 74.34 Favored 'General case' 0 C--N 1.377 1.804 0 C-N-CA 128.475 2.71 . . . . 0.0 109.965 173.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 85' ' ' ARG . 28.9 t70 -65.15 -51.38 61.5 Favored 'General case' 0 C--N 1.372 1.58 0 C-N-CA 126.628 1.971 . . . . 0.0 111.683 172.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.411 HG12 ' HA ' ' A' ' 79' ' ' ALA 0.422 9.1 pt -63.47 -37.64 80.11 Favored 'Isoleucine or valine' 0 C--N 1.379 1.849 0 CA-C-N 121.759 2.072 . . . . 0.0 114.76 173.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.7 m -64.02 -46.68 83.38 Favored 'General case' 0 C--N 1.372 1.574 0 C-N-CA 127.475 2.31 . . . . 0.0 113.276 173.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.6 t -75.43 -27.85 59.12 Favored 'General case' 0 C--N 1.371 1.507 0 O-C-N 119.651 -1.906 . . . . 0.0 113.285 175.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 81' ' ' ASP . 0.7 OUTLIER -62.32 -42.0 99.02 Favored 'General case' 0 C--N 1.377 1.797 0 C-N-CA 128.571 2.748 . . . . 0.0 109.177 172.148 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.423 ' O ' HD13 ' A' ' 90' ' ' LEU . 0.9 OUTLIER -61.49 -50.52 80.0 Favored 'Isoleucine or valine' 0 C--N 1.373 1.621 0 C-N-CA 127.361 2.264 . . . . 0.0 112.711 169.87 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.574 HD21 HE22 ' A' ' 111' ' ' GLN . 9.0 mp -60.89 -46.79 89.22 Favored 'General case' 0 N--CA 1.501 2.1 0 CA-C-N 123.089 2.677 . . . . 0.0 115.092 175.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 72.6 tt0 -62.03 -34.56 76.46 Favored 'General case' 0 C--N 1.37 1.487 0 CA-C-O 117.023 -1.465 . . . . 0.0 113.033 175.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB2' ' CD2' ' A' ' 21' ' ' TYR . . . -69.23 -46.33 67.64 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 126.51 1.924 . . . . 0.0 114.349 171.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.56 HD11 ' CZ ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -50.4 -47.54 56.42 Favored 'General case' 0 C--N 1.384 2.08 0 C-N-CA 129.386 3.074 . . . . 0.0 113.691 178.557 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.529 0.2 OUTLIER -104.2 10.48 35.72 Favored 'General case' 0 C--N 1.37 1.467 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 172.055 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.449 ' HB3' ' O ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -75.92 -48.68 20.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 119.251 -2.155 . . . . 0.0 108.834 175.002 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER -126.07 137.49 30.26 Favored Pre-proline 0 C--N 1.353 0.722 0 N-CA-C 102.16 -3.274 . . . . 0.0 102.16 171.687 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.65 159.49 21.95 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 124.496 3.464 . . . . 0.0 112.732 -170.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.554 ' HB2' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -99.0 107.64 20.12 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-O 123.733 1.73 . . . . 0.0 109.659 178.831 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 34.9 ttp -143.56 131.06 21.08 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 -176.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -129.62 123.04 30.29 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 176.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 81.06 7.83 1.18 Allowed 'General case' 0 C--N 1.367 1.332 0 C-N-CA 130.916 3.686 . . . . 0.0 113.818 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 90.68 12.96 60.18 Favored Glycine 0 C--N 1.357 1.728 0 C-N-CA 125.474 1.511 . . . . 0.0 110.861 -170.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -109.36 125.04 51.94 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 124.118 0.967 . . . . 0.0 111.099 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.3 t -109.84 156.34 20.5 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 126.222 1.809 . . . . 0.0 108.523 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CD2' HD11 ' A' ' 64' ' ' ILE . 8.4 m-85 -121.16 159.1 26.54 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 102.116 -3.29 . . . . 0.0 102.116 -176.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.3 t -105.56 121.85 58.25 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.565 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.15 137.77 33.93 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 125.45 1.5 . . . . 0.0 114.155 -173.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -117.69 126.89 53.31 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 128.398 2.679 . . . . 0.0 106.215 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -126.66 143.52 51.2 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 120.648 -1.282 . . . . 0.0 110.057 -176.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 43.8 mt -90.55 -34.78 15.39 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 126.255 1.822 . . . . 0.0 110.813 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . 0.299 48.4 t 70.42 -59.54 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.398 0 C-N-CA 127.861 2.464 . . . . 0.0 116.172 174.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.4 tp -83.38 58.35 4.47 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 127.943 2.497 . . . . 0.0 113.821 -177.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -174.55 71.18 0.03 OUTLIER 'General case' 0 C--N 1.355 0.817 0 C-N-CA 126.082 1.753 . . . . 0.0 108.206 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.574 HE22 HD21 ' A' ' 87' ' ' LEU . 59.1 mt-30 -148.83 -60.06 0.23 Allowed 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 32.9 m -93.4 120.56 43.01 Favored 'Isoleucine or valine' 0 C--N 1.359 1.014 0 C-N-CA 126.379 1.872 . . . . 0.0 113.575 -174.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 32.2 mt -121.36 151.4 24.59 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 126.494 1.918 . . . . 0.0 106.438 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 25.5 m -89.87 129.72 36.2 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 127.862 2.465 . . . . 0.0 110.138 178.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -89.52 120.03 30.47 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 124.04 0.936 . . . . 0.0 110.382 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.3 t -70.97 -20.55 62.42 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 126.631 1.972 . . . . 0.0 115.206 -176.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -90.34 -11.67 39.97 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.682 1.593 . . . . 0.0 113.906 -179.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.35 -3.88 86.36 Favored Glycine 0 C--N 1.368 2.339 0 O-C-N 120.837 -1.164 . . . . 0.0 114.618 -176.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 60.8 t -80.66 149.88 4.94 Favored 'Isoleucine or valine' 0 C--N 1.358 0.945 1 C-N-CA 132.527 4.331 . . . . 0.0 109.602 179.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.8 t -48.88 152.05 1.11 Allowed 'General case' 0 C--N 1.365 1.269 0 C-N-CA 130.054 3.342 . . . . 0.0 118.478 -178.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -93.73 141.14 28.83 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.338 1.855 . . . . 0.0 115.322 -175.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -109.66 131.5 55.0 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 103.442 -2.799 . . . . 0.0 103.442 173.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -125.71 143.38 14.42 Favored Glycine 0 C--N 1.365 2.184 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 -171.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 17.4 tt -123.27 119.06 56.52 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.2 mp -109.9 113.62 44.72 Favored 'Isoleucine or valine' 0 C--N 1.359 0.988 0 N-CA-C 106.233 -1.765 . . . . 0.0 106.233 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -114.27 131.21 56.58 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 125.04 1.336 . . . . 0.0 108.288 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 15.3 t -123.55 143.89 35.12 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 174.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -119.27 139.0 52.63 Favored 'General case' 0 C--N 1.36 1.058 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 173.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.33 137.32 38.79 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 -174.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 28.4 m -124.49 140.53 52.86 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 124.606 1.162 . . . . 0.0 112.15 -177.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.2 pt -109.08 119.5 58.72 Favored 'Isoleucine or valine' 0 C--N 1.367 1.331 0 O-C-N 120.599 -1.313 . . . . 0.0 109.039 172.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -93.9 -4.47 49.85 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 125.379 1.472 . . . . 0.0 111.552 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -139.06 132.01 29.41 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 127.08 2.152 . . . . 0.0 105.294 178.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -127.4 -77.01 0.57 Allowed 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.99 1.716 . . . . 0.0 107.839 -179.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 18.6 m -107.83 90.32 3.26 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.867 -1.146 . . . . 0.0 108.77 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 1.739 0 C-N-CA 125.719 1.628 . . . . 0.0 110.642 -178.788 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.441 -0.897 0 CA-C-O 122.855 1.312 . . . . 0.0 107.778 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -74.52 58.15 2.48 Favored Glycine 0 C--N 1.363 2.035 0 C-N-CA 129.36 3.362 . . . . 0.0 114.392 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 83.1 mt -103.96 158.4 16.44 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 127.582 2.353 . . . . 0.0 109.475 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -86.75 106.02 17.38 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 172.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.8 p -77.05 -12.02 59.88 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 126.39 1.876 . . . . 0.0 115.524 -173.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.5 p90 -109.36 114.08 27.45 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 122.796 1.284 . . . . 0.0 108.471 175.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -71.96 -13.13 61.54 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 128.092 2.557 . . . . 0.0 113.046 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.4 tp -68.8 -24.09 64.36 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 130.866 3.666 . . . . 0.0 111.279 171.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.95 -37.89 83.94 Favored 'General case' 0 C--N 1.378 1.844 0 C-N-CA 127.233 2.213 . . . . 0.0 113.375 175.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.9 p -58.66 -47.78 83.32 Favored 'General case' 0 C--N 1.366 1.306 0 C-N-CA 126.533 1.933 . . . . 0.0 114.105 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.428 16.1 ptm180 -72.85 -36.51 67.46 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 128.858 2.863 . . . . 0.0 115.124 169.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.14 -23.6 5.71 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 126.461 1.904 . . . . 0.0 113.919 169.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.439 HD12 HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -61.61 -32.87 73.02 Favored 'General case' 0 C--N 1.37 1.495 0 N-CA-C 115.96 1.837 . . . . 0.0 115.96 164.198 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.419 ' N ' HD13 ' A' ' 10' ' ' LEU 0.263 5.2 tp60 -70.61 -37.76 73.89 Favored 'General case' 0 C--N 1.372 1.548 0 C-N-CA 126.926 2.09 . . . . 0.0 109.818 173.686 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.03 -32.6 74.16 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 167.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.53 -34.15 67.37 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 119.676 -1.89 . . . . 0.0 113.129 170.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.4 m -70.91 -37.23 72.94 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.935 2.494 . . . . 0.0 110.795 172.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.12 -31.41 44.55 Favored 'Isoleucine or valine' 0 C--N 1.364 1.229 0 O-C-N 119.45 -2.031 . . . . 0.0 111.935 171.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -70.56 -29.55 66.03 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 124.722 1.209 . . . . 0.0 112.539 169.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.452 HD21 ' HA ' ' A' ' 90' ' ' LEU . 3.5 t30 -62.01 -45.43 93.64 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 126.925 2.09 . . . . 0.0 111.073 166.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.52 -34.48 74.17 Favored 'General case' 0 C--N 1.364 1.239 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 171.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -77.33 -22.86 51.2 Favored 'General case' 0 C--N 1.367 1.341 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 169.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.3 m -82.0 -31.59 31.0 Favored 'General case' 0 C--N 1.37 1.475 0 C-N-CA 125.559 1.544 . . . . 0.0 112.612 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -72.38 96.12 1.84 Allowed 'General case' 0 C--N 1.358 0.96 0 C-N-CA 126.732 2.013 . . . . 0.0 113.43 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.309 5.8 pt20 -40.44 -46.85 6.12 Favored Pre-proline 0 C--N 1.366 1.296 0 N-CA-C 120.204 3.409 . . . . 0.0 120.204 -177.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -66.32 -28.21 47.25 Favored 'Trans proline' 0 C--N 1.361 1.228 0 CA-C-N 127.715 3.791 . . . . 0.0 116.271 168.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.608 0.4 OUTLIER -82.51 -20.79 36.02 Favored 'General case' 0 C--N 1.387 2.199 0 CA-C-N 123.656 2.935 . . . . 0.0 114.133 -173.271 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 50.6 mmm -63.87 -27.95 69.51 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 129.817 3.247 . . . . 0.0 113.821 170.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -83.92 -28.18 28.06 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 127.171 2.188 . . . . 0.0 112.211 174.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 18.5 mmt -87.49 -46.29 9.73 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 126.462 1.905 . . . . 0.0 112.68 178.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.433 HG13 HG21 ' A' ' 82' ' ' ILE . 9.4 m -122.69 140.91 45.04 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 N-CA-C 100.724 -3.806 . . . . 0.0 100.724 169.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -104.32 -24.64 13.07 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 125.862 2.744 . . . . 0.0 112.201 175.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.421 ' HB3' ' HB2' ' A' ' 43' ' ' TYR 0.257 2.0 mm100 -97.51 38.17 1.3 Allowed 'General case' 0 N--CA 1.43 -1.438 1 C-N-CA 136.95 6.1 . . . . 0.0 112.475 -169.496 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.5 p -87.38 107.73 17.47 Favored 'Isoleucine or valine' 0 C--N 1.357 0.916 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.2 t -132.86 156.19 47.63 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 123.304 1.526 . . . . 0.0 112.193 -168.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -98.34 -22.47 16.08 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.889 2.075 . . . . 0.0 113.518 -176.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.283 14.4 m -156.66 -73.05 0.02 OUTLIER Pre-proline 0 CA--C 1.509 -0.623 0 CA-C-O 115.028 -2.415 . . . . 0.0 108.274 178.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -72.48 138.23 29.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 124.264 3.309 . . . . 0.0 114.215 -177.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 118.58 10.02 8.86 Favored Glycine 0 C--N 1.359 1.829 0 O-C-N 121.216 -0.928 . . . . 0.0 111.772 171.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -17.95 61.88 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 126.644 1.978 . . . . 0.0 115.843 -174.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -100.96 15.58 28.16 Favored 'General case' 0 C--N 1.364 1.199 0 C-N-CA 128.505 2.722 . . . . 0.0 112.253 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -88.12 154.52 52.12 Favored Pre-proline 0 C--N 1.367 1.341 0 C-N-CA 125.66 1.584 . . . . 0.0 110.095 176.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.96 148.8 25.27 Favored 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 123.875 3.05 . . . . 0.0 116.055 -169.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -61.62 135.11 94.01 Favored Pre-proline 0 C--N 1.365 1.24 1 C-N-CA 131.944 4.098 . . . . 0.0 116.107 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -80.44 148.63 77.36 Favored 'Cis proline' 0 C--N 1.355 0.898 0 CA-C-N 123.945 2.445 . . . . 0.0 115.288 5.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.421 ' HB2' ' HB3' ' A' ' 30' ' ' GLN . 18.8 p90 -172.63 168.65 5.2 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 124.427 1.091 . . . . 0.0 112.915 177.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.5 t -128.66 138.17 55.33 Favored 'Isoleucine or valine' 0 C--N 1.391 2.401 0 CA-C-O 122.391 1.091 . . . . 0.0 111.85 177.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.464 HG22 ' CH2' ' A' ' 71' ' ' TRP . 26.3 m -126.08 152.19 33.11 Favored 'Isoleucine or valine' 0 C--N 1.36 1.064 0 O-C-N 121.083 -1.011 . . . . 0.0 108.959 174.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 46' ' ' ILE . 37.4 mm -88.98 139.1 17.92 Favored 'Isoleucine or valine' 0 C--N 1.371 1.539 0 C-N-CA 125.342 1.457 . . . . 0.0 107.853 167.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.81 -154.17 6.5 Favored Glycine 0 C--N 1.35 1.349 0 N-CA-C 106.743 -2.543 . . . . 0.0 106.743 174.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -146.57 145.19 30.02 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 175.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -121.17 125.05 46.21 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 124.938 1.295 . . . . 0.0 108.009 -177.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.6 m 68.03 47.21 1.09 Allowed 'General case' 0 C--N 1.362 1.137 0 C-N-CA 127.254 2.221 . . . . 0.0 116.617 175.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.8 p -82.52 60.96 5.42 Favored 'General case' 0 C--N 1.358 0.96 0 O-C-N 119.093 -2.255 . . . . 0.0 112.109 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.281 23.2 m -177.63 -75.68 0.0 OUTLIER Pre-proline 0 C--N 1.349 0.557 0 C-N-CA 129.19 2.996 . . . . 0.0 106.244 179.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -79.87 115.25 3.28 Favored 'Trans proline' 0 C--N 1.367 1.541 0 CA-C-N 126.725 3.437 . . . . 0.0 111.727 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.63 139.79 52.91 Favored 'General case' 0 C--N 1.357 0.917 0 O-C-N 121.135 -0.978 . . . . 0.0 112.539 -176.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.86 2.06 32.1 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 127.951 2.501 . . . . 0.0 114.8 179.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.8 t -149.36 129.67 13.76 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 104.007 -2.59 . . . . 0.0 104.007 176.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -96.73 68.76 2.44 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 120.529 -1.357 . . . . 0.0 110.587 -177.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.66 65.6 2.47 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 126.92 2.088 . . . . 0.0 115.862 -175.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.4 m -107.16 67.69 0.7 Allowed 'General case' 0 C--N 1.36 1.029 0 C-N-CA 125.647 1.579 . . . . 0.0 111.441 177.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -146.99 112.99 5.79 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 126.5 1.92 . . . . 0.0 106.408 177.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.88 -85.73 1.44 Allowed Glycine 0 C--N 1.357 1.713 0 C-N-CA 126.133 1.825 . . . . 0.0 116.76 173.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 170.92 118.67 0.01 OUTLIER 'General case' 0 C--N 1.353 0.722 0 C-N-CA 128.106 2.562 . . . . 0.0 107.166 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -117.89 165.96 13.06 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.439 HG21 HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -108.45 127.68 64.64 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 103.699 -2.704 . . . . 0.0 103.699 178.865 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.8 p -127.39 117.17 21.66 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 177.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . 0.313 1.2 ttt -155.11 162.26 41.05 Favored 'General case' 0 C--N 1.372 1.578 0 CA-C-N 120.682 1.583 . . . . 0.0 114.796 -177.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -131.13 151.88 50.99 Favored 'General case' 0 C--N 1.367 1.33 0 CA-C-O 122.555 1.169 . . . . 0.0 112.927 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.296 0.0 OUTLIER -124.34 130.93 53.38 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 128.03 2.532 . . . . 0.0 104.995 167.757 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -112.5 119.12 37.12 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 102.82 -3.029 . . . . 0.0 102.82 -174.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.79 117.33 50.77 Favored 'Isoleucine or valine' 0 C--N 1.364 1.232 0 N-CA-C 103.695 -2.706 . . . . 0.0 103.695 -170.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.464 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -130.49 131.99 45.41 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 115.796 -2.362 . . . . 0.0 107.554 -176.777 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.32 145.17 16.15 Favored Glycine 0 C--N 1.36 1.909 0 O-C-N 121.28 -0.887 . . . . 0.0 112.836 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -123.72 -178.73 15.52 Favored Glycine 0 C--N 1.349 1.259 0 N-CA-C 106.085 -2.806 . . . . 0.0 106.085 175.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.264 6.2 m 74.17 -61.37 0.5 Allowed 'General case' 0 C--N 1.356 0.851 0 C-N-CA 127.697 2.399 . . . . 0.0 114.591 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.6 p -131.67 157.2 44.36 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 125.032 1.333 . . . . 0.0 108.201 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.544 ' H ' ' HD2' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -66.59 -35.27 79.79 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 128.784 2.834 . . . . 0.0 114.153 175.181 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.83 -35.55 74.87 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 129.96 3.304 . . . . 0.0 113.867 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -62.35 -36.12 81.24 Favored 'General case' 0 C--N 1.366 1.288 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.37 75.67 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 127.862 2.465 . . . . 0.0 114.399 175.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -76.95 -40.86 45.49 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 128.344 2.658 . . . . 0.0 111.26 174.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -64.28 -48.79 74.36 Favored 'General case' 0 C--N 1.376 1.726 0 C-N-CA 127.006 2.122 . . . . 0.0 110.361 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.433 HG21 HG13 ' A' ' 28' ' ' VAL 0.343 4.2 pt -61.6 -37.92 79.04 Favored 'Isoleucine or valine' 0 C--N 1.373 1.622 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 172.515 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . 0.353 2.4 p -68.71 -49.66 57.1 Favored 'General case' 0 C--N 1.374 1.666 0 O-C-N 119.91 -1.744 . . . . 0.0 114.157 170.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.5 t -57.53 -41.7 81.44 Favored 'General case' 0 C--N 1.377 1.792 0 C-N-CA 128.264 2.626 . . . . 0.0 113.577 172.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -74.28 -31.58 62.58 Favored 'General case' 0 C--N 1.371 1.505 0 C-N-CA 125.799 1.64 . . . . 0.0 113.262 173.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.254 1.2 t -63.59 -47.07 93.06 Favored 'Isoleucine or valine' 0 C--N 1.383 2.051 0 CA-C-N 121.876 2.126 . . . . 0.0 111.599 172.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.69 -43.27 99.25 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 125.92 1.688 . . . . 0.0 112.866 176.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 52.4 tt0 -61.33 -33.73 74.09 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 125.961 1.704 . . . . 0.0 113.416 170.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.17 -50.83 29.1 Favored 'General case' 0 C--N 1.377 1.766 0 C-N-CA 127.824 2.449 . . . . 0.0 112.192 171.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.452 ' HA ' HD21 ' A' ' 17' ' ' ASN . 67.6 mt -51.26 -26.44 7.25 Favored 'General case' 0 C--N 1.383 2.03 0 C-N-CA 128.522 2.729 . . . . 0.0 116.048 175.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 1.274 0.1 OUTLIER -111.45 12.91 21.47 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 120.361 3.467 . . . . 0.0 120.361 162.485 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -91.83 -50.58 5.65 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 120.732 -1.23 . . . . 0.0 109.807 175.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.45 139.31 20.2 Favored Pre-proline 0 C--N 1.366 1.322 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.55 149.57 21.32 Favored 'Trans proline' 0 C--N 1.363 1.334 0 C-N-CA 124.895 3.73 . . . . 0.0 111.16 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.4 mt -92.9 109.03 20.47 Favored 'General case' 0 C--N 1.363 1.176 0 CA-C-O 123.34 1.543 . . . . 0.0 114.931 -172.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 26.9 ttm -143.8 139.35 29.31 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 124.607 1.163 . . . . 0.0 110.269 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -123.4 107.64 11.84 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . 0.347 11.3 pt-20 55.93 16.64 2.2 Favored 'General case' 0 C--N 1.357 0.896 1 C-N-CA 134.431 5.092 . . . . 0.0 117.526 176.762 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 122.25 -10.25 9.37 Favored Glycine 0 C--N 1.348 1.242 0 C-N-CA 126.602 2.048 . . . . 0.0 110.476 -175.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -93.18 126.97 38.56 Favored 'General case' 0 C--N 1.364 1.225 0 CA-C-N 119.026 1.413 . . . . 0.0 110.378 -178.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.0 m -102.49 140.52 36.65 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 124.962 1.305 . . . . 0.0 112.183 -175.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.423 ' CE1' ' HB2' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -134.74 143.68 47.29 Favored 'General case' 0 C--N 1.363 1.164 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 179.649 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.1 t -107.39 129.04 61.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 C-N-CA 125.826 1.65 . . . . 0.0 107.757 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.21 138.61 32.24 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 127.541 2.336 . . . . 0.0 114.745 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -98.14 96.45 8.12 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 127.688 2.395 . . . . 0.0 110.968 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -86.61 161.86 18.28 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 125.533 1.533 . . . . 0.0 111.431 175.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.0 mt -118.5 27.81 8.71 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 125.458 1.503 . . . . 0.0 109.972 -179.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . 0.285 16.2 t 68.46 80.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.366 1.306 0 C-N-CA 129.932 3.293 . . . . 0.0 115.236 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . 0.323 62.6 mt 78.94 -138.38 0.02 OUTLIER 'General case' 0 C--N 1.366 1.303 0 C-N-CA 128.276 2.631 . . . . 0.0 115.842 177.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . 0.258 . . 126.51 86.95 0.0 OUTLIER 'General case' 0 C--N 1.374 1.66 0 C-N-CA 130.327 3.451 . . . . 0.0 113.89 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -108.01 146.91 31.84 Favored 'General case' 0 C--N 1.36 1.051 0 O-C-N 119.959 -1.713 . . . . 0.0 108.09 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 p -107.72 130.24 60.42 Favored 'Isoleucine or valine' 0 C--N 1.36 1.064 0 C-N-CA 125.19 1.396 . . . . 0.0 108.717 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 31.7 mt -108.09 139.76 29.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 C-N-CA 126.26 1.824 . . . . 0.0 107.596 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 9.3 m -71.52 142.6 50.11 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 130.032 3.333 . . . . 0.0 115.61 -176.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -86.0 155.42 20.87 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 127.213 2.205 . . . . 0.0 112.321 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.85 -21.33 64.28 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 129.542 3.137 . . . . 0.0 116.363 -178.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -90.03 -22.31 21.93 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 126.563 1.945 . . . . 0.0 112.26 176.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 84.28 41.25 8.05 Favored Glycine 0 C--N 1.363 2.05 0 C-N-CA 125.547 1.546 . . . . 0.0 116.043 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 t -97.67 122.23 49.03 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 C-N-CA 124.882 1.273 . . . . 0.0 110.228 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.5 m -65.51 118.58 9.65 Favored 'General case' 0 C--N 1.362 1.112 0 N-CA-C 116.39 1.996 . . . . 0.0 116.39 -175.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -99.04 126.62 44.8 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 125.27 1.428 . . . . 0.0 111.997 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -98.14 146.9 25.12 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 128.66 2.784 . . . . 0.0 108.438 175.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -118.16 147.62 18.6 Favored Glycine 0 C--N 1.357 1.717 0 C-N-CA 124.721 1.153 . . . . 0.0 111.498 -174.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 16.2 tt -120.02 116.63 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 N-CA-C 103.333 -2.839 . . . . 0.0 103.333 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.0 mp -114.63 114.54 46.88 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 -177.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -108.89 136.76 47.91 Favored 'General case' 0 C--N 1.362 1.133 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 175.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 73.2 t -131.15 151.53 35.96 Favored 'Isoleucine or valine' 0 C--O 1.244 0.79 0 N-CA-C 104.223 -2.51 . . . . 0.0 104.223 175.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.22 140.06 50.36 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 103.588 -2.745 . . . . 0.0 103.588 173.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -126.25 147.32 49.71 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 103.403 -2.814 . . . . 0.0 103.403 -173.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 20.5 m -136.04 143.32 44.64 Favored 'General case' 0 CA--C 1.5 -0.978 0 O-C-N 120.334 -1.479 . . . . 0.0 108.033 -174.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 11.9 pt -85.22 111.69 21.07 Favored 'Isoleucine or valine' 0 C--N 1.367 1.336 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 171.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . 0.266 21.3 t-20 84.41 77.51 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 C-N-CA 127.22 2.208 . . . . 0.0 112.966 -175.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.62 123.3 26.13 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 103.282 -2.858 . . . . 0.0 103.282 172.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -87.29 -41.81 13.39 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 124.989 1.315 . . . . 0.0 113.301 -175.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 67.3 p -109.62 102.83 11.63 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 124.785 1.234 . . . . 0.0 109.909 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.644 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 177.767 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' GLN . . . . . 0.568 ' N ' HE21 ' A' ' -4' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.437 -1.094 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -88.4 122.15 6.23 Favored Glycine 0 C--N 1.361 1.96 0 C-N-CA 125.899 1.714 . . . . 0.0 113.753 -177.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . 0.338 11.1 tp 77.58 40.83 0.15 Allowed 'General case' 0 C--N 1.363 1.172 0 C-N-CA 128.652 2.781 . . . . 0.0 115.907 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -130.86 63.85 1.58 Allowed 'General case' 0 C--N 1.36 1.025 0 C-N-CA 126.031 1.732 . . . . 0.0 107.798 173.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.9 t -89.85 122.27 32.75 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 125.8 1.64 . . . . 0.0 108.904 176.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -138.55 157.5 46.04 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 126.061 1.744 . . . . 0.0 107.87 -175.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -61.13 -24.23 66.12 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 128.726 2.81 . . . . 0.0 115.629 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.2 tp -72.54 -41.43 65.81 Favored 'General case' 0 C--N 1.368 1.385 0 C-N-CA 126.451 1.9 . . . . 0.0 112.474 175.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.09 -51.58 37.17 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 126.377 1.871 . . . . 0.0 113.679 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.44 ' O ' HD12 ' A' ' 10' ' ' LEU . 60.7 p -58.18 -47.39 83.56 Favored 'General case' 0 C--N 1.375 1.691 0 O-C-N 119.912 -1.742 . . . . 0.0 114.056 178.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.787 0.4 OUTLIER -61.7 -34.9 76.58 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 129.831 3.252 . . . . 0.0 115.574 168.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.61 -22.61 3.46 Favored 'General case' 0 CA--C 1.568 1.638 0 O-C-N 118.293 -2.754 . . . . 0.0 114.269 163.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.66 HD22 HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -55.72 -32.54 63.43 Favored 'General case' 0 N--CA 1.509 2.518 0 N-CA-C 117.461 2.393 . . . . 0.0 117.461 161.066 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.495 ' N ' HD13 ' A' ' 10' ' ' LEU 0.255 0.1 OUTLIER -70.2 -37.35 75.08 Favored 'General case' 0 C--N 1.375 1.676 0 C-N-CA 130.462 3.505 . . . . 0.0 110.408 173.076 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -63.05 -36.6 84.11 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 170.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.08 -32.63 67.22 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 125.91 1.684 . . . . 0.0 112.986 170.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 m -68.42 -42.12 79.41 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 128.022 2.529 . . . . 0.0 112.217 172.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.4 29.2 m -70.37 -30.58 43.64 Favored 'Isoleucine or valine' 0 C--N 1.385 2.152 0 O-C-N 119.637 -1.914 . . . . 0.0 112.181 169.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 30.9 tt0 -70.07 -35.44 74.22 Favored 'General case' 0 C--N 1.378 1.839 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 170.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . 0.447 8.4 p30 -70.43 -34.31 72.33 Favored 'General case' 0 C--N 1.369 1.447 0 O-C-N 120.196 -1.565 . . . . 0.0 113.728 170.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.68 -40.4 95.34 Favored 'General case' 0 C--N 1.376 1.739 0 C-N-CA 125.45 1.5 . . . . 0.0 113.218 168.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 8.4 pt-20 -84.61 -24.14 29.26 Favored 'General case' 0 C--N 1.376 1.727 0 CA-C-N 119.949 1.249 . . . . 0.0 114.298 177.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 t -78.75 -32.84 46.82 Favored 'General case' 0 C--N 1.374 1.672 0 CA-C-N 120.087 1.312 . . . . 0.0 111.131 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.415 ' CD2' ' HB2' ' A' ' 89' ' ' ALA . 20.6 t80 -70.01 97.18 1.12 Allowed 'General case' 0 C--N 1.364 1.232 0 C-N-CA 126.446 1.899 . . . . 0.0 114.479 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.336 6.0 pt20 -40.65 -43.05 3.85 Favored Pre-proline 0 C--N 1.362 1.143 0 N-CA-C 120.778 3.621 . . . . 0.0 120.778 -177.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -66.12 -28.34 48.77 Favored 'Trans proline' 0 CA--C 1.549 1.251 0 C-N-CA 124.567 3.512 . . . . 0.0 116.567 168.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.567 ' HG ' HH11 ' A' ' 85' ' ' ARG . 4.3 tt -79.41 -37.76 36.4 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 125.705 1.602 . . . . 0.0 113.947 -170.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.6 ptm -63.97 -28.5 69.86 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 128.5 2.72 . . . . 0.0 114.823 176.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -85.94 -12.39 50.65 Favored 'General case' 0 C--N 1.361 1.098 0 C-N-CA 126.34 1.856 . . . . 0.0 112.08 173.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 18.9 tpp -102.63 -27.8 12.52 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 127.657 2.383 . . . . 0.0 115.781 -176.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.547 HG21 HG12 ' A' ' 44' ' ' VAL 0.252 0.6 OUTLIER -121.54 145.59 27.9 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 -177.324 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -102.76 -11.63 18.2 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 119.706 -1.871 . . . . 0.0 112.073 173.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.539 ' HB2' ' HB2' ' A' ' 43' ' ' TYR 0.649 32.9 mm-40 -136.36 40.17 2.65 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 120.367 3.469 . . . . 0.0 120.367 -152.668 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.423 ' HA ' HG13 ' A' ' 44' ' ' VAL . 3.6 p -86.6 108.79 18.19 Favored 'Isoleucine or valine' 0 C--N 1.373 1.618 0 CA-C-O 125.607 2.622 . . . . 0.0 108.222 177.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.6 t -146.04 170.91 15.71 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 110.884 -2.871 . . . . 0.0 108.822 -170.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.51 5.4 10.63 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 126.734 2.014 . . . . 0.0 109.565 177.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.2 m -120.43 153.75 56.3 Favored Pre-proline 0 C--N 1.36 1.04 0 C-N-CA 125.827 1.651 . . . . 0.0 107.977 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -63.88 165.14 19.56 Favored 'Trans proline' 0 C--N 1.371 1.712 1 C-N-CA 126.579 4.853 . . . . 0.0 119.069 -174.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.47 49.55 0.04 OUTLIER Glycine 0 C--N 1.377 2.845 0 CA-C-O 121.381 0.434 . . . . 0.0 113.576 -175.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.675 ' H ' ' HD2' ' A' ' 37' ' ' LYS . 2.2 mptt -62.1 -17.24 57.01 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 129.518 3.127 . . . . 0.0 116.375 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -94.92 -2.74 49.97 Favored 'General case' 0 N--CA 1.441 -0.892 1 C-N-CA 132.853 4.461 . . . . 0.0 113.125 179.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -90.11 167.1 17.78 Favored Pre-proline 0 C--N 1.366 1.286 0 C-N-CA 125.361 1.464 . . . . 0.0 109.996 176.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -68.37 143.34 57.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 C-N-CA 124.086 3.191 . . . . 0.0 115.154 -176.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -97.86 141.72 23.43 Favored Pre-proline 0 C--N 1.361 1.107 0 C-N-CA 126.859 2.063 . . . . 0.0 109.092 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -81.25 149.41 75.33 Favored 'Cis proline' 0 C--N 1.359 1.121 0 CA-C-N 122.848 2.053 . . . . 0.0 112.846 0.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.539 ' HB2' ' HB2' ' A' ' 30' ' ' GLN . 6.3 p90 -156.29 167.25 31.02 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 124.976 1.31 . . . . 0.0 113.032 -176.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.547 HG12 HG21 ' A' ' 28' ' ' VAL . 9.8 p -135.28 137.89 49.4 Favored 'Isoleucine or valine' 0 C--N 1.402 2.884 0 CA-C-O 125.971 2.796 . . . . 0.0 118.112 -175.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.4 ' HB ' ' CH2' ' A' ' 71' ' ' TRP . 1.0 OUTLIER -117.05 130.77 71.42 Favored 'Isoleucine or valine' 0 C--N 1.362 1.147 0 C-N-CA 128.536 2.735 . . . . 0.0 109.196 173.208 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.3 mt -108.52 136.56 43.79 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 C-N-CA 125.566 1.546 . . . . 0.0 107.833 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -167.07 -133.06 1.47 Allowed Glycine 0 C--N 1.353 1.519 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -146.34 162.71 37.56 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 126.27 1.828 . . . . 0.0 106.477 176.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.95 126.07 36.89 Favored 'General case' 0 C--N 1.366 1.283 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 171.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . 0.364 95.9 p 82.76 61.12 0.01 OUTLIER 'General case' 0 C--N 1.36 1.063 0 C-N-CA 127.033 2.133 . . . . 0.0 112.894 -175.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.3 t -76.61 64.53 2.27 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.102 2.161 . . . . 0.0 114.568 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.9 m -156.41 108.95 2.04 Favored Pre-proline 0 C--N 1.35 0.598 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -74.54 138.52 24.37 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 124.04 3.16 . . . . 0.0 113.632 -175.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -135.89 150.58 49.41 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 127.698 2.399 . . . . 0.0 105.362 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . 0.264 52.7 mm-40 86.2 90.57 0.02 OUTLIER 'General case' 0 C--N 1.362 1.13 0 C-N-CA 127.939 2.495 . . . . 0.0 110.804 -176.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.9 t -123.51 159.26 29.49 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 125.405 1.482 . . . . 0.0 108.795 -178.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . 0.266 49.5 tttp 93.34 45.5 0.0 OUTLIER 'General case' 0 C--N 1.361 1.104 0 C-N-CA 131.209 3.804 . . . . 0.0 111.355 -175.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.9 t 173.77 -153.2 0.01 OUTLIER 'General case' 0 C--N 1.364 1.233 0 N-CA-C 103.308 -2.849 . . . . 0.0 103.308 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.0 m -154.66 114.34 3.76 Favored 'General case' 0 C--N 1.36 1.042 0 CA-C-N 121.08 1.764 . . . . 0.0 111.709 175.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -75.41 42.14 0.2 Allowed 'General case' 0 C--N 1.369 1.444 0 C-N-CA 128.05 2.54 . . . . 0.0 115.575 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -101.18 63.98 0.53 Allowed Glycine 0 C--N 1.361 1.945 0 C-N-CA 128.024 2.726 . . . . 0.0 110.549 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -133.11 -6.15 3.05 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 126.601 1.96 . . . . 0.0 110.484 -178.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -151.62 172.73 15.61 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 102.643 -3.095 . . . . 0.0 102.643 178.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.6 tp -142.72 122.48 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 N-CA-C 102.009 -3.33 . . . . 0.0 102.009 -174.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.7 m -113.73 135.91 53.42 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 125.207 1.403 . . . . 0.0 107.522 -177.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 mtp -131.53 152.12 51.01 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 125.786 1.634 . . . . 0.0 109.405 -178.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -147.8 139.74 24.1 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 170.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -111.19 129.4 55.96 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 104.09 -2.559 . . . . 0.0 104.09 173.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -121.66 118.63 29.64 Favored 'General case' 0 CA--C 1.493 -1.244 0 N-CA-C 104.818 -2.29 . . . . 0.0 104.818 176.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -122.41 134.43 65.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 -174.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.4 ' CH2' ' HB ' ' A' ' 45' ' ' VAL . 2.8 m-90 -123.84 114.72 20.24 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 119.341 -0.944 . . . . 0.0 108.562 176.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.01 173.69 15.05 Favored Glycine 0 C--N 1.359 1.819 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 175.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -139.61 145.84 17.12 Favored Glycine 0 C--N 1.348 1.219 0 N-CA-C 106.124 -2.791 . . . . 0.0 106.124 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.287 87.1 m 143.89 -70.92 0.0 OUTLIER 'General case' 0 C--N 1.354 0.779 0 C-N-CA 130.281 3.433 . . . . 0.0 107.149 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.1 m -162.34 170.46 18.85 Favored 'General case' 0 C--N 1.362 1.131 0 O-C-N 119.354 -2.091 . . . . 0.0 106.337 -178.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -55.38 -34.82 64.67 Favored 'General case' 0 C--N 1.366 1.308 1 C-N-CA 132.552 4.341 . . . . 0.0 114.323 173.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.76 -35.32 61.15 Favored 'General case' 0 C--N 1.372 1.565 0 C-N-CA 130.114 3.366 . . . . 0.0 114.149 175.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -58.45 -32.24 68.53 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 129.351 3.06 . . . . 0.0 114.012 173.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.05 -30.75 71.85 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 126.618 1.967 . . . . 0.0 114.123 175.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -74.24 -43.01 58.76 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 128.58 2.752 . . . . 0.0 111.182 174.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -67.34 -48.22 68.14 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 129.112 2.965 . . . . 0.0 115.583 174.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.435 HG22 ' HE ' ' A' ' 85' ' ' ARG . 5.7 pt -69.68 -38.36 76.13 Favored 'Isoleucine or valine' 0 C--N 1.374 1.657 0 C-N-CA 125.875 1.67 . . . . 0.0 112.97 177.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.6 m -66.19 -38.43 88.0 Favored 'General case' 0 C--N 1.378 1.811 0 C-N-CA 125.202 1.401 . . . . 0.0 111.384 173.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.5 m -61.59 -45.71 92.97 Favored 'General case' 0 C--N 1.377 1.777 0 C-N-CA 127.036 2.134 . . . . 0.0 113.634 172.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.567 HH11 ' HG ' ' A' ' 24' ' ' LEU 0.321 33.6 ptt85 -65.88 -46.08 79.72 Favored 'General case' 0 C--N 1.379 1.864 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 174.71 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.271 33.3 m -61.64 -38.68 80.86 Favored 'Isoleucine or valine' 0 C--N 1.385 2.115 0 CA-C-N 120.773 1.624 . . . . 0.0 114.657 174.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.55 -46.61 59.02 Favored 'General case' 0 C--N 1.373 1.598 0 C-N-CA 129.256 3.022 . . . . 0.0 113.916 174.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -66.64 -33.66 76.14 Favored 'General case' 0 C--N 1.376 1.725 0 O-C-N 119.749 -1.844 . . . . 0.0 113.951 174.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.415 ' HB2' ' CD2' ' A' ' 21' ' ' TYR . . . -65.23 -49.6 69.05 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 126.306 1.842 . . . . 0.0 111.088 168.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.258 3.4 tt -49.77 -41.44 44.18 Favored 'General case' 0 C--N 1.373 1.602 0 C-N-CA 128.832 2.853 . . . . 0.0 116.184 177.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.355 0.2 OUTLIER -104.71 9.39 35.09 Favored 'General case' 0 C--N 1.365 1.246 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 170.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.28 -52.05 11.79 Favored 'General case' 0 C--N 1.367 1.367 0 O-C-N 119.713 -1.867 . . . . 0.0 106.938 176.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . 0.31 0.0 OUTLIER -121.5 104.44 40.01 Favored Pre-proline 0 C--N 1.352 0.682 0 N-CA-C 103.734 -2.691 . . . . 0.0 103.734 171.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.17 156.94 51.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 123.547 2.831 . . . . 0.0 114.326 -167.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.66 HD13 HD22 ' A' ' 10' ' ' LEU . 5.0 mt -67.52 108.41 2.83 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 127.618 2.367 . . . . 0.0 114.936 -174.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 52.4 ttm -144.3 140.57 29.25 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 120.666 -1.271 . . . . 0.0 112.254 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -135.17 108.37 7.73 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 175.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 66.87 18.1 10.6 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 129.961 3.305 . . . . 0.0 115.817 173.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 102.67 -5.78 51.59 Favored Glycine 0 C--N 1.351 1.402 0 C-N-CA 125.698 1.618 . . . . 0.0 111.141 -171.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -87.49 129.43 35.07 Favored 'General case' 0 C--N 1.367 1.367 0 O-C-N 120.638 -1.507 . . . . 0.0 108.625 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.4 p -102.86 150.06 23.88 Favored 'General case' 0 C--N 1.363 1.157 0 CA-C-O 123.557 1.646 . . . . 0.0 112.91 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 10' ' ' LEU . 13.1 m-85 -122.82 115.62 22.32 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 101.378 -3.564 . . . . 0.0 101.378 177.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 81.5 t -106.45 128.11 61.27 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.73 0 C-N-CA 130.008 3.323 . . . . 0.0 105.967 -171.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.21 137.57 35.86 Favored 'General case' 0 C--N 1.363 1.17 0 N-CA-C 116.979 2.214 . . . . 0.0 116.979 -170.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -112.42 128.52 56.33 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 127.232 2.213 . . . . 0.0 107.148 175.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -106.12 153.18 22.44 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 126.346 1.859 . . . . 0.0 113.711 -177.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.0 tp -151.96 159.84 43.66 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 104.854 -2.276 . . . . 0.0 104.854 178.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 28.0 m -74.09 -13.16 15.68 Favored 'Isoleucine or valine' 0 C--N 1.366 1.313 0 N-CA-C 119.067 2.988 . . . . 0.0 119.067 -173.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . 0.512 0.6 OUTLIER 82.84 150.95 0.09 Allowed 'General case' 0 C--N 1.353 0.741 0 C-N-CA 129.08 2.952 . . . . 0.0 117.432 179.086 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.82 127.88 49.66 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 127.113 2.165 . . . . 0.0 106.92 175.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -121.25 117.28 26.64 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 126.101 1.76 . . . . 0.0 111.784 -176.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.9 p -128.31 127.66 67.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.099 0 N-CA-C 106.069 -1.826 . . . . 0.0 106.069 170.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 67.2 mt -119.55 116.41 50.62 Favored 'Isoleucine or valine' 0 C--N 1.363 1.163 0 N-CA-C 104.342 -2.466 . . . . 0.0 104.342 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.2 t -121.59 109.53 14.89 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 106.487 -1.671 . . . . 0.0 106.487 176.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -138.02 152.34 48.77 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 124.78 1.232 . . . . 0.0 108.124 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.2 m -61.0 -40.58 94.09 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 130.359 3.464 . . . . 0.0 116.21 -178.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -90.68 -12.23 37.37 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 126.404 1.881 . . . . 0.0 111.41 173.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.72 -6.33 83.6 Favored Glycine 0 C--N 1.354 1.555 1 C-N-CA 131.599 4.428 . . . . 0.0 120.143 174.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.9 m -129.38 99.64 4.83 Favored 'Isoleucine or valine' 0 C--N 1.362 1.143 0 CA-C-N 121.727 2.764 . . . . 0.0 110.59 172.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.32 144.39 25.58 Favored 'General case' 0 C--N 1.363 1.176 0 O-C-N 119.552 -1.968 . . . . 0.0 109.621 167.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.36 111.62 24.13 Favored 'General case' 0 C--N 1.369 1.441 0 CA-C-N 120.907 1.685 . . . . 0.0 108.175 168.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.24 148.9 46.79 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 125.901 1.681 . . . . 0.0 110.839 175.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -108.48 118.78 5.46 Favored Glycine 0 C--N 1.355 1.638 0 N-CA-C 108.351 -1.9 . . . . 0.0 108.351 162.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.73 112.36 39.39 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 N-CA-C 101.209 -3.626 . . . . 0.0 101.209 172.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.6 mp -117.55 113.7 43.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 C-N-CA 126.429 1.892 . . . . 0.0 107.113 -175.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -105.86 138.77 41.49 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 124.802 1.241 . . . . 0.0 111.109 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 1.6 m -144.67 150.08 16.62 Favored 'Isoleucine or valine' 0 C--N 1.361 1.084 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 175.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -117.67 140.23 49.94 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -126.58 150.58 48.77 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 105.642 -1.984 . . . . 0.0 105.642 -178.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 95.8 m -127.63 143.3 51.17 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.9 pt -97.02 143.91 11.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.105 0 C-N-CA 130.714 3.606 . . . . 0.0 113.864 -173.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -98.49 41.51 1.13 Allowed 'General case' 0 C--N 1.37 1.478 0 O-C-N 119.826 -1.796 . . . . 0.0 113.468 -176.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -93.78 -3.87 51.3 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 126.276 1.83 . . . . 0.0 112.374 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -75.89 40.48 0.2 Allowed 'General case' 0 C--N 1.363 1.18 0 C-N-CA 127.722 2.409 . . . . 0.0 114.239 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 32.3 p -101.16 95.28 6.44 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 128.234 2.614 . . . . 0.0 111.163 -177.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.358 1.754 0 C-N-CA 124.989 1.281 . . . . 0.0 110.368 -176.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 . . . . . 0 N--CA 1.437 -1.114 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -164.79 150.2 17.93 Favored Glycine 0 CA--C 1.491 -1.44 0 N-CA-C 104.137 -3.585 . . . . 0.0 104.137 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . 0.27 3.7 mm? 80.24 75.12 0.04 OUTLIER 'General case' 0 C--N 1.362 1.142 0 C-N-CA 127.475 2.31 . . . . 0.0 111.477 -177.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -138.3 161.22 37.47 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.0 m -156.86 61.27 0.52 Allowed 'General case' 0 C--N 1.348 0.507 0 N-CA-C 104.843 -2.28 . . . . 0.0 104.843 174.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -134.0 80.95 1.89 Allowed 'General case' 0 C--N 1.354 0.796 0 O-C-N 121.292 -0.88 . . . . 0.0 110.185 -177.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -75.37 -14.51 60.47 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 126.06 1.744 . . . . 0.0 112.914 177.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.86 -22.98 65.96 Favored 'General case' 0 C--N 1.37 1.47 0 C-N-CA 129.034 2.934 . . . . 0.0 111.4 170.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.9 -33.75 69.08 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 128.063 2.545 . . . . 0.0 114.355 173.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.7 m -62.44 -46.68 87.43 Favored 'General case' 0 C--N 1.373 1.615 0 CA-C-O 123.583 1.658 . . . . 0.0 113.304 172.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' A' ' 11' ' ' GLN 0.619 15.3 ptp180 -74.12 -38.04 63.92 Favored 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 130.043 3.337 . . . . 0.0 116.528 171.461 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.2 -23.88 64.35 Favored 'General case' 0 C--N 1.371 1.521 0 O-C-N 116.444 -3.91 . . . . 0.0 112.793 167.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.502 HD22 ' CZ ' ' A' ' 102' ' ' PHE 0.258 0.5 OUTLIER -65.76 -29.14 69.6 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 127.2 2.2 . . . . 0.0 111.76 163.288 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 8' ' ' ARG 0.408 2.2 pp0? -66.04 -38.05 87.39 Favored 'General case' 0 C--N 1.383 2.033 0 CA-C-N 122.702 2.501 . . . . 0.0 111.755 170.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.336 0.0 OUTLIER -67.4 -29.67 69.24 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 165.822 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.65 -41.62 71.89 Favored 'General case' 0 C--N 1.361 1.095 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 171.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.438 HG23 HD12 ' A' ' 95' ' ' LEU . 5.8 m -69.59 -30.35 68.09 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 127.264 2.226 . . . . 0.0 111.484 172.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.12 -35.32 52.92 Favored 'Isoleucine or valine' 0 C--N 1.371 1.54 0 O-C-N 119.657 -1.902 . . . . 0.0 112.385 167.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -70.33 -30.32 67.26 Favored 'General case' 0 C--N 1.367 1.336 0 CA-C-O 122.926 1.346 . . . . 0.0 112.397 174.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -43.91 97.8 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 128.565 2.746 . . . . 0.0 112.77 167.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 mp -59.76 -38.77 82.73 Favored 'General case' 0 C--N 1.376 1.729 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 168.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -27.02 64.48 Favored 'General case' 0 C--N 1.369 1.451 0 C-N-CA 127.579 2.352 . . . . 0.0 113.792 171.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 t -76.92 -35.01 57.64 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 125.922 1.689 . . . . 0.0 112.435 176.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -72.49 94.64 1.69 Allowed 'General case' 0 C--N 1.364 1.197 0 CA-C-O 123.069 1.414 . . . . 0.0 113.734 178.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.394 6.1 pt20 -40.62 -49.37 7.16 Favored Pre-proline 0 C--N 1.366 1.284 0 N-CA-C 120.789 3.625 . . . . 0.0 120.789 -173.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -65.95 -20.51 57.7 Favored 'Trans proline' 0 CA--C 1.551 1.326 0 CA-C-N 127.961 3.879 . . . . 0.0 116.212 169.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.38 -33.04 49.12 Favored 'General case' 0 C--N 1.371 1.509 0 CA-C-N 122.172 2.26 . . . . 0.0 112.026 -175.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 59.7 mmm -57.12 -27.55 61.92 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 130.872 3.669 . . . . 0.0 114.964 167.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -82.75 -32.67 27.73 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 126.35 1.86 . . . . 0.0 112.518 172.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 61.0 mtt -81.65 -41.13 21.87 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 126.253 1.821 . . . . 0.0 113.497 177.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.478 HG23 ' HA ' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -122.91 143.56 35.41 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 N-CA-C 103.309 -2.849 . . . . 0.0 103.309 172.312 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -101.82 -34.97 9.21 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 129.041 2.936 . . . . 0.0 111.565 174.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -97.33 37.96 1.3 Allowed 'General case' 0 N--CA 1.436 -1.172 1 C-N-CA 137.176 6.19 . . . . 0.0 112.986 -166.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 p -88.17 108.36 18.53 Favored 'Isoleucine or valine' 0 C--N 1.368 1.379 0 CA-C-O 123.781 1.753 . . . . 0.0 107.676 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.6 t -140.48 154.38 46.58 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 113.822 -1.536 . . . . 0.0 112.311 -168.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.65 43.06 0.81 Allowed 'General case' 0 C--N 1.356 0.873 0 C-N-CA 128.261 2.625 . . . . 0.0 115.401 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.411 63.9 m 118.74 -71.11 0.0 OUTLIER Pre-proline 0 C--N 1.358 0.939 0 C-N-CA 129.403 3.081 . . . . 0.0 112.944 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -72.67 138.26 28.89 Favored 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 124.212 3.274 . . . . 0.0 114.026 -173.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 128.61 -12.07 6.28 Favored Glycine 0 C--N 1.358 1.786 0 CA-C-O 123.062 1.368 . . . . 0.0 109.726 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -13.99 24.72 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 130.924 3.689 . . . . 0.0 116.568 -177.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -91.49 -1.66 57.47 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 127.886 2.475 . . . . 0.0 111.774 176.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -95.01 160.57 30.66 Favored Pre-proline 0 C--N 1.362 1.128 0 O-C-N 120.538 -1.351 . . . . 0.0 109.01 175.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -77.98 162.82 28.9 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 124.084 3.189 . . . . 0.0 115.284 -174.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 71' ' ' TRP . 2.4 m-30 -76.17 160.42 78.13 Favored Pre-proline 0 CA--C 1.56 1.358 0 C-N-CA 129.056 2.942 . . . . 0.0 113.634 -179.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -77.38 146.84 83.74 Favored 'Cis proline' 0 C--N 1.362 1.251 0 CA-C-N 122.037 1.763 . . . . 0.0 112.426 -0.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.478 ' HA ' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -172.81 168.91 4.98 Favored 'General case' 0 CA--C 1.558 1.261 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 -171.405 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.3 t -137.26 130.04 43.48 Favored 'Isoleucine or valine' 0 C--N 1.392 2.426 0 CA-C-O 123.361 1.553 . . . . 0.0 111.897 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.534 HG22 ' CH2' ' A' ' 71' ' ' TRP . 5.0 m -121.3 146.04 26.93 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 O-C-N 120.543 -1.348 . . . . 0.0 110.278 170.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.2 mm -88.52 140.16 16.24 Favored 'Isoleucine or valine' 0 C--N 1.367 1.338 0 C-N-CA 125.928 1.691 . . . . 0.0 109.217 169.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -143.59 -150.56 5.3 Favored Glycine 0 C--N 1.352 1.417 0 N-CA-C 107.306 -2.318 . . . . 0.0 107.306 168.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -146.21 132.87 19.89 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 100.808 -3.775 . . . . 0.0 100.808 175.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -125.16 149.31 48.04 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 120.3 1.409 . . . . 0.0 107.436 -175.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.8 t -148.35 177.85 9.08 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.3 p -120.46 -73.04 0.66 Allowed 'General case' 0 C--N 1.347 0.485 0 C-N-CA 127.886 2.475 . . . . 0.0 111.379 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.3 m -87.33 107.94 17.25 Favored Pre-proline 0 C--N 1.354 0.781 0 C-N-CA 128.467 2.707 . . . . 0.0 111.611 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -78.58 143.38 19.02 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 124.277 3.318 . . . . 0.0 112.767 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -135.98 150.92 49.44 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 127.849 2.46 . . . . 0.0 106.041 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -85.46 -12.03 52.86 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 126.798 2.039 . . . . 0.0 113.221 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.7 t -161.36 163.14 30.9 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 103.191 -2.892 . . . . 0.0 103.191 176.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -145.32 133.11 21.11 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.749 -1.219 . . . . 0.0 108.95 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.7 t -88.53 62.05 6.38 Favored 'General case' 0 C--N 1.361 1.081 0 O-C-N 120.505 -1.372 . . . . 0.0 110.512 175.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.9 m -162.08 67.51 0.25 Allowed 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -132.09 107.7 8.82 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 105.014 -2.217 . . . . 0.0 105.014 175.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.5 70.94 0.04 OUTLIER Glycine 0 C--N 1.349 1.29 0 O-C-N 121.003 -1.061 . . . . 0.0 111.386 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 78.53 51.49 0.03 OUTLIER 'General case' 0 C--N 1.363 1.177 0 C-N-CA 128.168 2.587 . . . . 0.0 113.901 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -135.69 128.35 30.83 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 125.73 1.612 . . . . 0.0 111.102 -175.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 mp -112.25 130.21 66.36 Favored 'Isoleucine or valine' 0 C--N 1.361 1.069 0 C-N-CA 130.418 3.487 . . . . 0.0 102.825 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 t -131.04 136.43 48.45 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 101.41 -3.552 . . . . 0.0 101.41 172.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 37.2 ttm -147.66 145.79 29.06 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 124.483 1.113 . . . . 0.0 108.519 -171.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.67 146.48 41.66 Favored 'General case' 0 CA--C 1.492 -1.284 0 CA-C-O 123.226 1.489 . . . . 0.0 108.334 175.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.525 ' CZ ' HD21 ' A' ' 90' ' ' LEU 0.358 0.0 OUTLIER -129.44 136.75 50.32 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 103.657 -2.72 . . . . 0.0 103.657 174.173 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.462 ' ND1' HD13 ' A' ' 124' ' ' ILE . 44.8 m-70 -111.7 117.79 33.84 Favored 'General case' 0 C--N 1.357 0.917 1 N-CA-C 98.952 -4.462 . . . . 0.0 98.952 -175.56 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.4 t -122.57 111.29 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.166 0 N-CA-C 103.247 -2.872 . . . . 0.0 103.247 -167.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.534 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -130.75 138.49 49.99 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 117.562 -1.655 . . . . 0.0 108.897 -173.859 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -147.49 166.63 28.65 Favored Glycine 0 CA--C 1.485 -1.824 0 CA-C-O 123.115 1.397 . . . . 0.0 113.036 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -174.5 112.13 0.39 Allowed Glycine 0 CA--C 1.49 -1.515 0 N-CA-C 104.064 -3.614 . . . . 0.0 104.064 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.2 m -167.75 -51.02 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 -175.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 m -143.57 155.54 44.32 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 102.803 -3.036 . . . . 0.0 102.803 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -62.84 -35.66 80.67 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 129.079 2.951 . . . . 0.0 115.775 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.04 -35.43 64.33 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 130.703 3.601 . . . . 0.0 113.174 176.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.269 21.8 tt0 -58.66 -36.42 74.11 Favored 'General case' 0 C--N 1.366 1.308 0 N-CA-C 117.664 2.468 . . . . 0.0 117.664 -174.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.32 92.87 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 126.7 2.0 . . . . 0.0 114.186 173.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -77.12 -32.16 56.28 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 128.268 2.627 . . . . 0.0 110.591 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -66.93 -50.05 63.59 Favored 'General case' 0 C--N 1.371 1.513 0 C-N-CA 125.86 1.664 . . . . 0.0 112.398 169.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.269 17.8 pt -58.3 -38.18 67.49 Favored 'Isoleucine or valine' 0 C--N 1.38 1.9 0 CA-C-N 121.438 1.926 . . . . 0.0 113.782 174.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.1 m -65.25 -49.84 68.07 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 127.409 2.284 . . . . 0.0 114.63 174.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.2 m -70.54 -35.97 73.44 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 128.405 2.682 . . . . 0.0 113.258 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 84.7 mmt-85 -76.17 -33.46 59.34 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 127.726 2.41 . . . . 0.0 111.931 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.56 -47.59 88.47 Favored 'Isoleucine or valine' 0 C--N 1.384 2.085 0 C-N-CA 126.286 1.834 . . . . 0.0 110.634 168.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.08 -50.04 73.56 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 128.175 2.59 . . . . 0.0 114.819 176.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.07 -38.2 82.14 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 128.116 2.567 . . . . 0.0 111.405 172.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.45 98.87 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 126.058 1.743 . . . . 0.0 113.88 168.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.525 HD21 ' CZ ' ' A' ' 68' ' ' PHE . 39.8 mt -57.12 -29.63 63.71 Favored 'General case' 0 C--N 1.389 2.324 0 C-N-CA 127.393 2.277 . . . . 0.0 114.252 174.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 1.014 0.2 OUTLIER -115.78 10.96 15.5 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 119.858 3.281 . . . . 0.0 119.858 168.432 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.46 -49.72 11.03 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 126.401 1.88 . . . . 0.0 107.464 170.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -108.69 148.92 38.74 Favored Pre-proline 0 C--N 1.358 0.969 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -79.19 159.21 26.62 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 124.64 3.56 . . . . 0.0 111.579 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.438 HD12 HG23 ' A' ' 14' ' ' THR . 0.1 OUTLIER -96.78 107.45 19.93 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 3.8 mtp -143.83 141.04 30.15 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.436 1.494 . . . . 0.0 110.863 -174.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -131.57 107.56 8.94 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 103.407 -2.812 . . . . 0.0 103.407 173.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 73.52 25.27 2.13 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 130.003 3.321 . . . . 0.0 114.577 175.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.31 2.88 61.79 Favored Glycine 0 C--N 1.36 1.892 0 C-N-CA 125.708 1.623 . . . . 0.0 113.382 -177.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -100.09 124.63 45.7 Favored 'General case' 0 C--N 1.36 1.039 0 CA-C-N 117.58 0.69 . . . . 0.0 109.703 -176.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.4 m -98.13 139.13 34.39 Favored 'General case' 0 C--N 1.373 1.598 0 C-N-CA 124.602 1.161 . . . . 0.0 113.991 -173.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.502 ' CZ ' HD22 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -127.48 144.95 50.99 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 -179.35 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -106.0 124.24 61.1 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 C-N-CA 124.164 0.986 . . . . 0.0 109.734 -171.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.17 137.98 35.87 Favored 'General case' 0 C--N 1.362 1.115 0 C-N-CA 126.845 2.058 . . . . 0.0 113.326 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -123.42 132.5 53.97 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 105.74 -1.948 . . . . 0.0 105.74 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt 81.17 116.16 0.06 Allowed 'General case' 0 C--N 1.368 1.383 0 C-N-CA 127.845 2.458 . . . . 0.0 114.52 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 73.2 mt -126.85 78.99 1.84 Allowed 'General case' 0 C--N 1.355 0.816 0 O-C-N 120.12 -1.612 . . . . 0.0 106.71 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.5 t -109.68 149.12 12.91 Favored 'Isoleucine or valine' 0 C--N 1.358 0.959 0 C-N-CA 125.603 1.561 . . . . 0.0 111.858 -174.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -152.57 -173.43 4.56 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 104.989 -2.226 . . . . 0.0 104.989 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . 0.299 . . 110.38 -6.72 0.01 OUTLIER 'General case' 0 C--N 1.368 1.388 0 C-N-CA 128.004 2.522 . . . . 0.0 115.848 174.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -71.9 -14.17 61.86 Favored 'General case' 0 C--N 1.372 1.546 0 C-N-CA 126.575 1.95 . . . . 0.0 114.401 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.0 m -93.1 115.68 32.47 Favored 'Isoleucine or valine' 0 C--N 1.363 1.176 0 C-N-CA 127.87 2.468 . . . . 0.0 107.725 172.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 52.8 mt -117.75 159.13 18.19 Favored 'Isoleucine or valine' 0 C--N 1.345 0.383 0 C-N-CA 127.724 2.41 . . . . 0.0 108.281 -175.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 87.5 m -104.07 119.86 39.85 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 126.201 1.8 . . . . 0.0 107.033 175.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -103.2 136.27 43.3 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 125.411 1.484 . . . . 0.0 107.906 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.9 p -63.35 -20.69 65.73 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 129.796 3.238 . . . . 0.0 116.201 -178.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -90.14 -10.7 43.59 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 127.14 2.176 . . . . 0.0 113.005 176.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.7 47.84 4.4 Favored Glycine 0 C--N 1.368 2.311 0 N-CA-C 117.462 1.745 . . . . 0.0 117.462 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -90.46 150.01 3.87 Favored 'Isoleucine or valine' 0 C--N 1.362 1.112 0 C-N-CA 125.944 1.698 . . . . 0.0 113.06 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.1 m -65.82 139.45 58.32 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 127.675 2.39 . . . . 0.0 112.189 175.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -98.52 134.24 41.75 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 124.917 1.287 . . . . 0.0 111.848 -173.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -133.07 119.85 20.54 Favored 'General case' 0 N--CA 1.436 -1.165 0 C-N-CA 126.659 1.984 . . . . 0.0 106.648 -176.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.75 137.36 9.37 Favored Glycine 0 C--N 1.351 1.372 0 N-CA-C 108.68 -1.768 . . . . 0.0 108.68 176.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.462 HD13 ' ND1' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -111.29 122.87 66.53 Favored 'Isoleucine or valine' 0 C--N 1.361 1.081 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 175.841 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.3 mt -113.89 116.29 52.17 Favored 'Isoleucine or valine' 0 C--N 1.362 1.136 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 -177.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -108.63 140.22 42.31 Favored 'General case' 0 CA--C 1.488 -1.404 0 C-N-CA 125.615 1.566 . . . . 0.0 107.71 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . 0.281 3.5 p -141.94 144.57 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 0 CA-C-N 113.969 -1.469 . . . . 0.0 107.36 171.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -117.47 139.73 50.53 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 127.839 2.456 . . . . 0.0 104.473 178.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -131.9 140.46 49.07 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 103.988 -2.597 . . . . 0.0 103.988 -176.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 62.5 m -128.48 143.12 50.93 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 -176.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.2 pt -122.94 137.39 56.57 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 176.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.9 22.43 10.38 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 125.569 1.548 . . . . 0.0 108.062 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 80.78 132.85 0.06 Allowed 'General case' 0 C--N 1.368 1.382 0 C-N-CA 130.122 3.369 . . . . 0.0 115.862 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -122.47 114.11 20.26 Favored 'General case' 0 C--N 1.362 1.133 0 O-C-N 119.757 -1.839 . . . . 0.0 106.741 174.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 77.1 p -82.8 90.54 6.92 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 125.672 1.589 . . . . 0.0 111.91 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.469 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -178.876 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 . . . . . 0 N--CA 1.44 -0.926 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 102.66 -172.61 22.08 Favored Glycine 0 C--N 1.353 1.515 0 C-N-CA 125.821 1.677 . . . . 0.0 109.57 -171.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 38.8 mt -94.99 30.6 2.07 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 125.25 1.42 . . . . 0.0 113.86 -176.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -82.6 -19.49 38.29 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 131.05 3.74 . . . . 0.0 111.799 176.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.6 m -73.39 83.27 1.44 Allowed 'General case' 0 C--N 1.354 0.775 0 C-N-CA 128.506 2.722 . . . . 0.0 115.992 -172.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -100.91 -142.74 0.34 Allowed 'General case' 0 C--N 1.358 0.958 0 C-N-CA 126.392 1.877 . . . . 0.0 110.753 176.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp 59.53 -105.27 0.23 Allowed 'General case' 0 C--N 1.364 1.215 0 C-N-CA 129.049 2.94 . . . . 0.0 114.923 178.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.0 tp -72.94 -32.23 65.13 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 127.778 2.431 . . . . 0.0 113.593 176.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.71 -36.27 82.1 Favored 'General case' 0 C--N 1.374 1.637 0 C-N-CA 125.385 1.474 . . . . 0.0 114.486 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.9 m -58.51 -47.2 84.92 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 127.541 2.336 . . . . 0.0 114.303 175.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.527 71.9 ttt180 -73.73 -37.88 64.97 Favored 'General case' 0 C--O 1.249 1.056 0 C-N-CA 127.591 2.356 . . . . 0.0 116.396 172.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.82 -23.77 54.22 Favored 'General case' 0 CA--C 1.557 1.238 0 O-C-N 118.743 -2.473 . . . . 0.0 114.495 168.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.63 HD23 ' CD1' ' A' ' 102' ' ' PHE 0.452 0.0 OUTLIER -63.42 -28.36 69.93 Favored 'General case' 0 C--N 1.376 1.76 0 O-C-N 119.267 -2.146 . . . . 0.0 114.707 164.04 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -69.71 -41.04 75.9 Favored 'General case' 0 C--N 1.377 1.781 0 C-N-CA 126.524 1.93 . . . . 0.0 109.502 175.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.321 0.0 OUTLIER -67.44 -29.89 69.48 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 166.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.01 -36.74 69.79 Favored 'General case' 0 C--N 1.365 1.279 0 O-C-N 119.833 -1.792 . . . . 0.0 112.749 172.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.314 6.8 m -70.39 -36.9 74.38 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 126.737 2.015 . . . . 0.0 111.455 174.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.07 -31.67 54.72 Favored 'Isoleucine or valine' 0 C--N 1.374 1.656 0 C-N-CA 125.517 1.527 . . . . 0.0 113.103 169.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -70.92 -30.21 66.48 Favored 'General case' 0 C--N 1.37 1.496 0 C-N-CA 124.488 1.115 . . . . 0.0 113.833 171.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -66.53 -43.59 84.77 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 126.402 1.881 . . . . 0.0 111.395 170.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.534 HD21 HD12 ' A' ' 90' ' ' LEU . 16.3 mt -59.18 -40.73 86.59 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 125.265 1.426 . . . . 0.0 114.459 170.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -24.29 57.05 Favored 'General case' 0 C--N 1.369 1.422 0 C-N-CA 124.391 1.076 . . . . 0.0 113.164 173.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -81.9 -20.98 37.67 Favored 'General case' 0 C--N 1.37 1.481 0 C-N-CA 125.346 1.458 . . . . 0.0 114.757 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -83.61 103.91 13.31 Favored 'General case' 0 C--N 1.366 1.313 0 CA-C-N 120.33 1.423 . . . . 0.0 114.793 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.461 ' HG2' ' HD3' ' A' ' 23' ' ' PRO 0.422 6.7 pm0 -41.03 -49.86 7.9 Favored Pre-proline 0 C--N 1.372 1.552 0 N-CA-C 119.161 3.023 . . . . 0.0 119.161 179.525 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.461 ' HD3' ' HG2' ' A' ' 22' ' ' GLN . 19.3 Cg_exo -65.99 -26.56 50.98 Favored 'Trans proline' 0 CA--C 1.545 1.036 0 C-N-CA 125.002 3.801 . . . . 0.0 115.564 170.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.91 -40.7 18.24 Favored 'General case' 0 C--N 1.369 1.433 0 CA-C-N 120.918 1.69 . . . . 0.0 111.567 -176.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . 0.276 0.1 OUTLIER -64.81 -27.79 69.12 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 126.229 1.812 . . . . 0.0 113.655 169.094 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -74.79 -21.88 59.06 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 125.116 1.366 . . . . 0.0 113.04 169.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -102.33 -18.63 15.34 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 127.038 2.135 . . . . 0.0 116.225 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.473 HG21 ' HB ' ' A' ' 31' ' ' VAL . 9.4 m -121.62 145.07 28.81 Favored 'Isoleucine or valine' 0 C--N 1.371 1.506 0 O-C-N 119.116 -2.24 . . . . 0.0 105.886 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -102.69 -12.0 17.99 Favored 'General case' 0 C--N 1.362 1.133 0 O-C-N 119.477 -2.015 . . . . 0.0 112.986 177.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.446 ' HB3' ' CB ' ' A' ' 43' ' ' TYR 0.644 3.2 tp-100 -136.77 39.45 2.59 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 129.824 3.25 . . . . 0.0 118.132 -161.615 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.473 ' HB ' HG21 ' A' ' 28' ' ' VAL . 5.8 p -85.44 109.25 18.08 Favored 'Isoleucine or valine' 0 C--N 1.366 1.319 0 CA-C-O 125.121 2.391 . . . . 0.0 107.808 176.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.5 t -146.43 168.87 20.11 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 111.871 -2.422 . . . . 0.0 111.464 -171.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -108.39 -11.37 15.19 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 127.188 2.195 . . . . 0.0 113.245 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.274 5.9 m -176.15 -71.02 0.0 OUTLIER Pre-proline 0 C--N 1.357 0.893 0 CA-C-O 116.454 -1.736 . . . . 0.0 108.831 179.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.81 136.27 27.43 Favored 'Trans proline' 0 C--N 1.362 1.278 0 CA-C-N 126.09 3.211 . . . . 0.0 110.984 -178.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.29 -18.83 41.31 Favored Glycine 0 C--N 1.35 1.334 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 -171.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.333 0.0 OUTLIER -49.94 -15.12 0.17 Allowed 'General case' 0 C--N 1.361 1.092 0 N-CA-C 120.336 3.458 . . . . 0.0 120.336 -178.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -106.12 11.47 31.35 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 128.085 2.554 . . . . 0.0 113.007 175.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.58 144.98 28.77 Favored Pre-proline 0 C--N 1.366 1.305 0 C-N-CA 125.509 1.523 . . . . 0.0 110.778 178.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.12 162.64 40.93 Favored 'Trans proline' 0 C--N 1.362 1.253 0 C-N-CA 125.2 3.933 . . . . 0.0 119.969 -163.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -70.22 140.05 87.72 Favored Pre-proline 0 C--N 1.362 1.15 1 C-N-CA 132.829 4.452 . . . . 0.0 116.379 -176.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -78.79 147.45 81.09 Favored 'Cis proline' 0 C--N 1.371 1.724 0 CA-C-N 120.989 1.389 . . . . 0.0 115.58 4.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.446 ' CB ' ' HB3' ' A' ' 30' ' ' GLN 0.26 16.7 p90 -166.72 168.87 13.96 Favored 'General case' 0 C--N 1.37 1.465 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -177.159 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.6 t -136.18 124.65 36.81 Favored 'Isoleucine or valine' 0 C--N 1.401 2.846 0 CA-C-O 123.225 1.488 . . . . 0.0 112.006 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.1 m -116.67 139.85 41.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 120.82 -1.175 . . . . 0.0 110.619 175.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.3 mm -75.51 140.41 17.42 Favored 'Isoleucine or valine' 0 C--N 1.375 1.699 0 C-N-CA 127.754 2.422 . . . . 0.0 109.191 169.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.51 -166.29 23.19 Favored Glycine 0 CA--C 1.488 -1.656 0 N-CA-C 108.565 -1.814 . . . . 0.0 108.565 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -145.69 121.21 10.38 Favored 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 105.844 -1.91 . . . . 0.0 105.844 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.6 161.51 29.46 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 126.058 1.743 . . . . 0.0 106.79 -177.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 t 96.66 -147.07 0.0 OUTLIER 'General case' 0 C--N 1.356 0.87 0 C-N-CA 129.801 3.24 . . . . 0.0 109.004 -178.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.6 p -166.03 177.55 6.96 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.262 1.425 . . . . 0.0 107.385 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.7 m -168.43 126.04 0.89 Allowed Pre-proline 0 C--N 1.355 0.811 0 N-CA-C 104.147 -2.538 . . . . 0.0 104.147 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -70.78 114.11 3.76 Favored 'Trans proline' 0 C--N 1.361 1.195 0 C-N-CA 124.455 3.436 . . . . 0.0 111.591 176.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -117.51 104.07 10.71 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 125.488 1.515 . . . . 0.0 107.974 -177.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -105.38 -60.02 1.68 Allowed 'General case' 0 C--N 1.351 0.632 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 175.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.6 p -142.58 -177.48 5.31 Favored 'General case' 0 C--N 1.351 0.635 0 N-CA-C 103.647 -2.723 . . . . 0.0 103.647 176.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -131.77 -171.68 2.68 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 174.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.3 m -156.18 133.0 10.4 Favored 'General case' 0 CA--C 1.506 -0.749 0 O-C-N 120.032 -1.668 . . . . 0.0 106.882 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . 0.271 36.2 m 71.77 -72.88 0.11 Allowed 'General case' 0 C--N 1.358 0.937 0 C-N-CA 127.958 2.503 . . . . 0.0 115.088 -179.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -160.72 146.04 14.52 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 105.704 -1.962 . . . . 0.0 105.704 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -114.06 52.74 0.63 Allowed Glycine 0 C--N 1.357 1.736 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 175.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.94 61.82 4.69 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 128.276 2.631 . . . . 0.0 116.833 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -140.57 149.81 42.85 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 124.039 1.876 . . . . 0.0 110.241 175.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.604 HG21 HD11 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -111.01 121.65 64.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 C-N-CA 129.58 3.152 . . . . 0.0 103.162 -177.548 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.4 p -111.15 126.52 54.93 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.784 1.634 . . . . 0.0 108.035 177.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.9 ptt? -142.48 142.56 32.31 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-N 120.825 1.648 . . . . 0.0 113.3 177.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.48 154.25 38.07 Favored 'General case' 0 C--N 1.367 1.344 0 CA-C-O 124.66 2.171 . . . . 0.0 108.438 174.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.62 141.01 39.14 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 102.355 -3.202 . . . . 0.0 102.355 171.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -113.45 124.61 52.82 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 102.32 -3.215 . . . . 0.0 102.32 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -124.71 112.96 34.01 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.143 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 -168.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.99 130.26 35.47 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 117.143 -1.823 . . . . 0.0 110.981 -174.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -122.72 60.01 0.58 Allowed Glycine 0 C--N 1.369 2.382 0 N-CA-C 115.566 0.986 . . . . 0.0 115.566 -170.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -75.25 90.89 0.82 Allowed Glycine 0 C--N 1.355 1.638 0 C-N-CA 126.199 1.856 . . . . 0.0 113.309 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.6 m -169.31 -45.57 0.02 OUTLIER 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.9 m -160.42 151.16 18.64 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 102.821 -3.029 . . . . 0.0 102.821 175.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.651 HH12 ' H ' ' A' ' 115' ' ' ASP . 4.2 tmm_? -62.38 -35.68 79.93 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.689 1.996 . . . . 0.0 115.545 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.75 -35.67 76.98 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 128.965 2.906 . . . . 0.0 115.127 174.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -62.09 -33.5 74.56 Favored 'General case' 0 C--N 1.369 1.438 0 C-N-CA 127.428 2.291 . . . . 0.0 114.207 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.11 -34.73 78.72 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 129.295 3.038 . . . . 0.0 114.31 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -77.7 -38.45 47.37 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 127.519 2.327 . . . . 0.0 111.421 175.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -66.69 -46.37 75.82 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 126.589 1.956 . . . . 0.0 111.882 172.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 23.9 pt -70.34 -39.27 76.39 Favored 'Isoleucine or valine' 0 C--N 1.369 1.456 0 O-C-N 119.881 -1.762 . . . . 0.0 114.164 175.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.6 p -68.67 -49.91 55.28 Favored 'General case' 0 C--N 1.372 1.57 0 CA-C-N 120.937 1.698 . . . . 0.0 114.519 175.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.2 m -61.29 -46.81 88.77 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 127.043 2.137 . . . . 0.0 114.085 175.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . 0.251 10.1 mpt_? -74.66 -29.47 61.26 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 124.349 1.06 . . . . 0.0 112.574 176.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.375 1.5 p -68.58 -44.88 82.46 Favored 'Isoleucine or valine' 0 C--N 1.385 2.113 0 CA-C-N 121.738 2.063 . . . . 0.0 113.813 173.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.437 HD11 HD13 ' A' ' 125' ' ' ILE . 10.7 mp -66.79 -37.96 85.59 Favored 'General case' 0 C--N 1.379 1.869 0 O-C-N 119.116 -2.24 . . . . 0.0 112.455 174.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 17.0 tp10 -61.65 -34.78 76.3 Favored 'General case' 0 C--N 1.378 1.812 0 CA-C-O 116.674 -1.631 . . . . 0.0 112.715 171.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.77 -46.03 73.21 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 127.826 2.45 . . . . 0.0 113.483 171.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.534 HD12 HD21 ' A' ' 18' ' ' LEU . 10.1 mp -48.4 -48.01 37.3 Favored 'General case' 0 C--N 1.39 2.348 0 C-N-CA 128.305 2.642 . . . . 0.0 114.018 176.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.789 0.2 OUTLIER -106.07 11.61 31.28 Favored 'General case' 0 C--N 1.368 1.397 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 174.243 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.437 ' HB3' ' O ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -79.5 -44.15 21.79 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 119.666 -1.897 . . . . 0.0 108.197 174.338 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.15 107.32 47.84 Favored Pre-proline 0 C--N 1.356 0.872 0 N-CA-C 100.207 -3.998 . . . . 0.0 100.207 175.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.7 163.39 35.89 Favored 'Trans proline' 0 C--N 1.37 1.688 1 C-N-CA 125.565 4.177 . . . . 0.0 114.537 -166.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.1 mt -80.58 106.87 12.91 Favored 'General case' 0 C--N 1.37 1.49 0 CA-C-O 124.277 1.989 . . . . 0.0 114.744 -170.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 47.2 ttm -145.32 143.06 29.96 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 111.643 -2.526 . . . . 0.0 109.642 -179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -134.84 110.06 8.93 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 172.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 60.72 34.22 19.99 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 130.547 3.539 . . . . 0.0 115.972 173.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 94.24 -6.82 72.24 Favored Glycine 0 C--N 1.351 1.387 0 C-N-CA 125.885 1.707 . . . . 0.0 112.858 -173.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -95.68 124.14 39.56 Favored 'General case' 0 C--N 1.366 1.311 0 CA-C-N 119.572 1.686 . . . . 0.0 108.555 -177.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.6 p -95.42 148.75 22.14 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 127.867 2.467 . . . . 0.0 112.04 -175.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.63 ' CD1' HD23 ' A' ' 10' ' ' LEU 0.252 0.1 OUTLIER -136.12 146.72 47.26 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 178.246 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -106.93 121.88 60.29 Favored 'Isoleucine or valine' 0 C--N 1.358 0.961 0 C-N-CA 124.964 1.305 . . . . 0.0 111.013 -173.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.33 129.36 34.45 Favored 'General case' 0 C--N 1.372 1.562 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -176.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -137.11 94.95 3.01 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.043 1.337 . . . . 0.0 108.3 -173.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -143.88 136.46 27.05 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.65 -1.281 . . . . 0.0 109.588 -177.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 71.3 mt -125.74 119.79 28.91 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 176.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.2 p -157.61 160.2 2.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 N-CA-C 105.094 -2.187 . . . . 0.0 105.094 -176.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.0 mt -117.4 94.73 4.67 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 125.855 1.662 . . . . 0.0 106.879 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.66 97.16 8.38 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 126.045 1.738 . . . . 0.0 113.078 -176.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -100.12 142.24 31.87 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 126.098 1.759 . . . . 0.0 111.187 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.1 p -124.78 139.45 50.93 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 N-CA-C 103.34 -2.837 . . . . 0.0 103.34 175.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.4 mt -110.14 137.88 40.44 Favored 'Isoleucine or valine' 0 C--N 1.36 1.039 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 86.4 m -95.88 111.31 23.33 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 128.585 2.754 . . . . 0.0 107.163 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.651 ' H ' HH12 ' A' ' 76' ' ' ARG . 46.5 m-20 -112.2 119.72 39.32 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.5 m -46.81 -29.61 2.04 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 131.111 3.764 . . . . 0.0 117.911 -174.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -90.15 -7.27 54.09 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 127.074 2.149 . . . . 0.0 114.298 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.33 46.75 4.88 Favored Glycine 0 C--N 1.367 2.282 0 CA-C-N 120.294 1.406 . . . . 0.0 116.316 176.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 16.5 t -73.97 120.19 22.61 Favored 'Isoleucine or valine' 0 C--N 1.362 1.132 0 C-N-CA 126.892 2.077 . . . . 0.0 112.268 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 19.6 m -53.88 119.3 4.82 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 130.381 3.473 . . . . 0.0 117.349 -175.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -93.89 139.47 30.86 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 124.514 1.126 . . . . 0.0 111.676 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -135.09 148.18 49.76 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 128.803 2.841 . . . . 0.0 105.071 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.81 141.63 12.97 Favored Glycine 0 C--N 1.357 1.703 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 176.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.55 114.35 46.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 1 N-CA-C 100.074 -4.047 . . . . 0.0 100.074 166.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.437 HD13 HD11 ' A' ' 87' ' ' LEU . 15.5 mt -118.51 122.04 68.53 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 C-N-CA 124.104 0.962 . . . . 0.0 108.968 -172.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -114.78 140.02 49.25 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 124.75 1.22 . . . . 0.0 107.759 175.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.2 t -133.01 156.58 42.38 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 N-CA-C 103.921 -2.622 . . . . 0.0 103.921 169.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . 0.415 42.1 ptt85 -135.11 141.02 45.91 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 125.53 1.532 . . . . 0.0 114.19 173.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.23 139.27 54.08 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 125.426 1.49 . . . . 0.0 108.353 -172.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 54.5 m -115.61 128.98 56.33 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 122.547 1.165 . . . . 0.0 109.439 -177.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.5 pt -117.18 143.78 26.66 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 N-CA-C 104.597 -2.371 . . . . 0.0 104.597 174.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -147.21 174.87 11.2 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -90.36 -29.05 18.3 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 127.918 2.487 . . . . 0.0 111.523 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 73.54 23.54 2.43 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 129.28 3.032 . . . . 0.0 114.9 177.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 2.8 p -101.49 154.69 18.61 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 128.177 2.591 . . . . 0.0 112.664 -176.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.467 0 N-CA-C 106.216 -2.753 . . . . 0.0 106.216 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.443 -0.811 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -128.54 7.6 6.59 Favored Glycine 0 C--N 1.356 1.648 0 C-N-CA 126.494 1.997 . . . . 0.0 114.464 -175.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 25.0 tp -98.57 -40.67 8.11 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.005 1.322 . . . . 0.0 109.956 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . 0.263 96.2 mm-40 69.64 -97.09 0.03 OUTLIER 'General case' 0 C--N 1.362 1.145 0 C-N-CA 128.042 2.537 . . . . 0.0 114.815 177.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.9 p -128.55 104.9 7.94 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 126.401 1.88 . . . . 0.0 108.734 -178.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 13.4 p90 -89.04 -5.99 57.48 Favored 'General case' 0 C--N 1.369 1.418 0 C-N-CA 126.07 1.748 . . . . 0.0 115.32 -176.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 84.83 56.46 0.01 OUTLIER 'General case' 0 C--N 1.366 1.295 0 C-N-CA 129.366 3.067 . . . . 0.0 106.15 -172.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -56.01 -50.87 69.67 Favored 'General case' 0 C--N 1.37 1.458 0 N-CA-C 119.995 3.331 . . . . 0.0 119.995 -161.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.49 -51.04 39.61 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 120.956 1.707 . . . . 0.0 112.455 173.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 1.3 p -55.41 -47.11 76.44 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 128.742 2.817 . . . . 0.0 118.067 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.729 6.9 ptp180 -75.42 -37.22 60.56 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 119.38 3.104 . . . . 0.0 119.38 167.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.412 ' HA ' ' HG3' ' A' ' 12' ' ' LYS 0.299 . . -59.07 -22.44 60.78 Favored 'General case' 0 C--N 1.368 1.39 0 O-C-N 118.983 -2.323 . . . . 0.0 114.61 175.186 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.801 HD23 ' CD1' ' A' ' 102' ' ' PHE 0.361 0.9 OUTLIER -55.07 -40.89 70.84 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 130.354 3.462 . . . . 0.0 114.124 161.726 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.536 ' HG3' ' HB3' ' A' ' 66' ' ' MET 0.333 5.3 mm-40 -70.55 -37.83 74.09 Favored 'General case' 0 C--N 1.374 1.646 0 O-C-N 120.076 -1.64 . . . . 0.0 111.727 172.408 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.412 ' HG3' ' HA ' ' A' ' 9' ' ' ALA 0.373 0.0 OUTLIER -66.39 -30.05 70.34 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 167.14 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.23 -35.49 68.88 Favored 'General case' 0 C--N 1.366 1.309 0 O-C-N 119.963 -1.71 . . . . 0.0 114.019 170.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 m -70.24 -39.27 75.15 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 127.975 2.51 . . . . 0.0 110.235 172.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.25 -31.4 53.48 Favored 'Isoleucine or valine' 0 C--N 1.37 1.484 0 O-C-N 120.05 -1.656 . . . . 0.0 112.814 169.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -70.78 -31.86 68.78 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 125.337 1.455 . . . . 0.0 113.033 171.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.525 ' HB2' ' HB3' ' A' ' 93' ' ' LYS 0.405 1.9 p30 -68.28 -37.97 81.21 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 124.559 1.143 . . . . 0.0 113.482 171.757 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.547 ' O ' HD11 ' A' ' 24' ' ' LEU . 3.4 mp -56.45 -51.71 67.39 Favored 'General case' 0 C--N 1.374 1.633 0 C-N-CA 126.295 1.838 . . . . 0.0 112.989 165.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.26 9.6 pt-20 -72.5 -15.39 61.79 Favored 'General case' 0 C--N 1.369 1.416 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 174.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.4 m -80.71 -31.03 36.28 Favored 'General case' 0 C--N 1.371 1.54 0 C-N-CA 125.213 1.405 . . . . 0.0 112.029 174.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -78.07 93.74 4.56 Favored 'General case' 0 C--N 1.367 1.362 0 CA-C-O 122.893 1.33 . . . . 0.0 111.976 177.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.346 3.9 pt20 -49.65 -37.91 27.98 Favored Pre-proline 0 C--N 1.365 1.26 0 N-CA-C 119.091 2.997 . . . . 0.0 119.091 -178.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.48 -20.31 65.89 Favored 'Trans proline' 0 C--N 1.363 1.306 0 CA-C-N 125.358 2.949 . . . . 0.0 115.096 169.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.547 HD11 ' O ' ' A' ' 18' ' ' LEU 0.404 2.4 pp -87.31 -15.44 38.0 Favored 'General case' 0 C--N 1.382 2.0 0 CA-C-N 123.872 3.033 . . . . 0.0 112.514 176.306 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 98.5 mmm -64.98 -27.82 69.09 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 126.483 1.913 . . . . 0.0 115.38 176.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -90.7 -9.16 47.8 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 125.367 1.467 . . . . 0.0 112.292 172.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -102.12 -23.35 14.07 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 126.41 1.884 . . . . 0.0 113.364 177.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 m -125.82 145.88 32.52 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 N-CA-C 104.636 -2.357 . . . . 0.0 104.636 176.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -102.46 -42.07 6.09 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 124.867 2.27 . . . . 0.0 110.747 167.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.574 3.1 mp0 -98.06 39.42 1.23 Allowed 'General case' 0 N--CA 1.439 -1.024 1 C-N-CA 137.183 6.193 . . . . 0.0 118.103 -166.816 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -86.15 111.49 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 O-C-N 119.171 -2.205 . . . . 0.0 107.805 176.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.428 HG23 HG12 ' A' ' 45' ' ' VAL . 9.9 t -142.3 167.72 21.44 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 123.908 1.813 . . . . 0.0 112.529 -166.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -78.59 -102.13 0.02 OUTLIER 'General case' 0 C--N 1.361 1.075 0 C-N-CA 128.232 2.613 . . . . 0.0 109.982 174.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 t -93.71 -53.53 0.25 Allowed Pre-proline 0 C--N 1.36 1.046 0 CA-C-O 115.238 -2.315 . . . . 0.0 114.975 178.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -72.95 137.45 26.75 Favored 'Trans proline' 0 C--N 1.363 1.308 0 CA-C-N 126.571 3.382 . . . . 0.0 113.676 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.71 18.36 7.01 Favored Glycine 0 C--N 1.359 1.82 0 C-N-CA 124.27 0.938 . . . . 0.0 114.3 175.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.424 ' CB ' HG11 ' A' ' 45' ' ' VAL 0.33 0.0 OUTLIER -74.69 -15.46 60.79 Favored 'General case' 0 C--N 1.362 1.123 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -177.078 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -107.11 15.9 24.71 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 130.585 3.554 . . . . 0.0 113.239 174.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -92.93 170.9 8.1 Favored Pre-proline 0 C--N 1.366 1.283 0 C-N-CA 125.624 1.57 . . . . 0.0 111.566 -176.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -57.41 143.8 93.25 Favored 'Trans proline' 0 C--N 1.366 1.494 0 C-N-CA 124.902 3.735 . . . . 0.0 119.617 -172.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -91.95 135.77 26.92 Favored Pre-proline 0 N--CA 1.45 -0.428 0 C-N-CA 128.329 2.652 . . . . 0.0 109.784 -175.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -78.22 151.49 90.16 Favored 'Cis proline' 0 CA--C 1.539 0.773 0 CA-C-N 123.315 2.22 . . . . 0.0 115.071 1.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -175.48 166.99 3.3 Favored 'General case' 0 CA--C 1.56 1.344 0 O-C-N 121.384 -0.823 . . . . 0.0 112.659 -174.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 51.6 t -138.15 136.91 44.68 Favored 'Isoleucine or valine' 0 C--N 1.393 2.468 0 O-C-N 121.242 -0.911 . . . . 0.0 113.01 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.428 HG12 HG23 ' A' ' 32' ' ' THR . 14.2 m -113.03 153.25 14.64 Favored 'Isoleucine or valine' 0 C--N 1.368 1.396 0 O-C-N 120.221 -1.55 . . . . 0.0 111.107 167.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 21.1 mm -85.23 138.76 18.52 Favored 'Isoleucine or valine' 0 C--N 1.368 1.381 0 C-N-CA 125.538 1.535 . . . . 0.0 110.802 169.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -146.51 -164.67 11.12 Favored Glycine 0 C--N 1.356 1.66 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 176.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -145.69 121.47 10.56 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.95 139.08 50.11 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 126.349 1.86 . . . . 0.0 109.203 -173.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.9 p -107.4 97.37 7.13 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 125.817 1.647 . . . . 0.0 111.725 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.0 m -69.02 53.54 0.09 Allowed 'General case' 0 C--N 1.368 1.385 0 N-CA-C 118.009 2.596 . . . . 0.0 118.009 -175.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.331 29.2 p 71.77 67.61 0.35 Allowed Pre-proline 0 C--N 1.358 0.958 0 C-N-CA 128.703 2.801 . . . . 0.0 114.751 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -83.01 114.3 2.24 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 123.727 2.951 . . . . 0.0 113.333 -175.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -116.83 134.46 54.75 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 125.907 1.683 . . . . 0.0 108.076 176.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -51.09 84.93 0.0 OUTLIER 'General case' 0 C--N 1.368 1.381 0 C-N-CA 130.127 3.371 . . . . 0.0 116.563 -176.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.3 m -123.37 113.37 18.74 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 127.654 2.382 . . . . 0.0 105.226 -175.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -131.49 96.85 4.08 Favored 'General case' 0 C--N 1.348 0.542 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -176.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.5 p -113.1 -37.09 4.87 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 125.955 1.702 . . . . 0.0 110.725 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.8 p -166.05 -171.45 2.01 Favored 'General case' 0 N--CA 1.442 -0.825 0 N-CA-C 102.93 -2.989 . . . . 0.0 102.93 -176.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -139.74 174.17 10.79 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 125.45 1.5 . . . . 0.0 107.641 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -154.51 176.97 32.12 Favored Glycine 0 C--N 1.361 1.965 0 N-CA-C 108.048 -2.021 . . . . 0.0 108.048 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -118.73 94.96 4.64 Favored 'General case' 0 C--N 1.363 1.152 0 CA-C-N 118.728 1.264 . . . . 0.0 109.957 -175.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -132.68 160.0 37.99 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 124.185 1.945 . . . . 0.0 115.403 -172.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.483 HG21 HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -107.67 122.19 61.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 1 C-N-CA 133.253 4.621 . . . . 0.0 103.175 178.402 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.9 p -115.09 116.71 28.86 Favored 'General case' 0 C--N 1.368 1.37 0 CA-C-N 121.27 1.85 . . . . 0.0 106.596 170.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.536 ' HB3' ' HG3' ' A' ' 11' ' ' GLN 0.268 3.5 ttt -155.2 161.33 41.22 Favored 'General case' 0 C--N 1.372 1.55 0 CA-C-N 121.468 1.94 . . . . 0.0 114.147 178.793 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.508 ' OD1' ' CD2' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -131.9 164.4 26.2 Favored 'General case' 0 C--N 1.369 1.415 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -175.127 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.473 ' CZ ' HD11 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -127.55 137.8 52.71 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 103.378 -2.823 . . . . 0.0 103.378 166.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.508 ' CD2' ' OD1' ' A' ' 67' ' ' ASP . 33.8 m-70 -112.66 119.09 36.89 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 103.201 -2.889 . . . . 0.0 103.201 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 p -115.15 131.04 68.6 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.075 0 C-N-CA 124.396 1.078 . . . . 0.0 108.647 -174.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.423 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -132.39 135.62 46.25 Favored 'General case' 0 C--N 1.36 1.065 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 173.096 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.73 31.8 4.04 Favored Glycine 0 C--N 1.371 2.523 0 C-N-CA 124.759 1.171 . . . . 0.0 113.596 -176.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.9 70.38 0.01 OUTLIER Glycine 0 C--N 1.356 1.672 0 C-N-CA 129.658 3.504 . . . . 0.0 119.801 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.89 -78.63 0.25 Allowed 'General case' 0 CA--C 1.502 -0.888 0 N-CA-C 104.446 -2.427 . . . . 0.0 104.446 -176.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.5 p -118.83 170.04 9.34 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 126.462 1.905 . . . . 0.0 107.587 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.554 ' HD3' ' H ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -66.6 -45.69 78.35 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 128.829 2.852 . . . . 0.0 113.741 175.217 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.63 -35.47 80.26 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 131.178 3.791 . . . . 0.0 114.918 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -58.97 -33.33 70.53 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 126.357 1.863 . . . . 0.0 115.034 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.74 -45.79 73.96 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 128.661 2.784 . . . . 0.0 115.022 175.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -74.35 -31.06 62.27 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 125.187 1.395 . . . . 0.0 111.368 176.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -67.46 -51.6 49.53 Favored 'General case' 0 C--N 1.374 1.633 0 C-N-CA 124.878 1.271 . . . . 0.0 113.077 168.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.286 10.8 pt -64.66 -39.69 86.49 Favored 'Isoleucine or valine' 0 C--N 1.381 1.945 0 CA-C-N 120.897 1.68 . . . . 0.0 114.154 176.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.5 m -68.11 -49.47 60.95 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 125.745 1.618 . . . . 0.0 113.983 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . 0.289 83.0 p -63.17 -40.38 97.38 Favored 'General case' 0 C--N 1.37 1.499 0 O-C-N 119.382 -2.073 . . . . 0.0 113.776 175.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 86.6 mmt-85 -69.13 -33.1 72.91 Favored 'General case' 0 C--N 1.371 1.502 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 171.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.312 0.3 OUTLIER -67.97 -46.14 82.41 Favored 'Isoleucine or valine' 0 C--N 1.384 2.098 0 C-N-CA 125.817 1.647 . . . . 0.0 113.529 175.682 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.6 -38.89 84.64 Favored 'General case' 0 C--N 1.379 1.881 0 O-C-N 119.839 -1.788 . . . . 0.0 112.532 175.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.444 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 17.1 tp10 -59.45 -41.7 90.29 Favored 'General case' 0 C--N 1.38 1.892 0 C-N-CA 126.372 1.869 . . . . 0.0 111.856 172.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.59 -45.34 79.55 Favored 'General case' 0 C--N 1.376 1.743 0 C-N-CA 126.229 1.812 . . . . 0.0 114.348 173.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.473 HD11 ' CZ ' ' A' ' 68' ' ' PHE . 1.5 mp -45.76 -49.8 14.56 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 130.979 3.711 . . . . 0.0 115.113 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.636 0.2 OUTLIER -105.64 11.09 32.65 Favored 'General case' 0 C--N 1.367 1.367 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 169.733 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.444 ' HB3' ' O ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -76.37 -45.9 29.85 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 119.02 -2.3 . . . . 0.0 109.687 176.019 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 17' ' ' ASN 0.286 0.5 OUTLIER -119.93 99.57 48.94 Favored Pre-proline 0 C--N 1.354 0.785 0 N-CA-C 104.837 -2.283 . . . . 0.0 104.837 -179.268 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -55.15 163.16 4.74 Favored 'Trans proline' 0 C--N 1.389 2.665 1 C-N-CA 127.193 5.262 . . . . 0.0 120.131 -164.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.5 mt -87.18 107.01 18.28 Favored 'General case' 0 C--N 1.367 1.347 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -171.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 19.5 ttt -144.79 142.19 29.79 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 113.464 -1.698 . . . . 0.0 111.078 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -133.53 107.16 7.84 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.645 1.978 . . . . 0.0 105.745 170.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 65.43 -71.45 0.08 Allowed 'General case' 0 C--N 1.348 0.54 1 C-N-CA 132.601 4.361 . . . . 0.0 117.387 169.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -139.94 16.81 3.01 Favored Glycine 0 CA--C 1.493 -1.296 0 N-CA-C 107.276 -2.329 . . . . 0.0 107.276 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -122.61 124.65 43.97 Favored 'General case' 0 C--N 1.363 1.17 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.6 m -116.35 131.96 56.8 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 127.771 2.428 . . . . 0.0 105.016 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.801 ' CD1' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -132.67 142.65 49.18 Favored 'General case' 0 C--N 1.362 1.121 0 CA-C-O 122.485 1.136 . . . . 0.0 111.829 -171.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.8 t -106.88 131.66 56.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 C-N-CA 124.849 1.26 . . . . 0.0 111.009 -175.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.62 111.22 16.84 Favored 'General case' 0 C--N 1.369 1.437 0 CA-C-O 122.671 1.224 . . . . 0.0 110.698 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -141.86 107.86 5.18 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 126.364 1.866 . . . . 0.0 106.002 -172.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . 0.289 6.8 tmtm? 103.6 124.76 0.01 OUTLIER 'General case' 0 C--N 1.358 0.966 0 C-N-CA 129.87 3.268 . . . . 0.0 110.752 -178.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.6 tp -160.3 156.43 26.35 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 101.644 -3.465 . . . . 0.0 101.644 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 77.4 t -120.09 145.51 26.28 Favored 'Isoleucine or valine' 0 C--N 1.356 0.879 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 176.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 46.6 tp -101.11 93.76 5.63 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 125.055 1.342 . . . . 0.0 110.116 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -88.39 -47.79 8.11 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 124.853 1.261 . . . . 0.0 111.754 177.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . 0.479 0.9 OUTLIER 66.45 140.67 0.03 OUTLIER 'General case' 0 C--N 1.359 1.002 0 C-N-CA 130.599 3.56 . . . . 0.0 117.404 179.748 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 13.2 p -128.11 133.45 67.07 Favored 'Isoleucine or valine' 0 C--N 1.349 0.55 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 177.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 41.4 mm -110.81 147.84 14.62 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 C-N-CA 125.4 1.48 . . . . 0.0 107.506 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 24.5 m -71.4 130.38 41.18 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 127.529 2.332 . . . . 0.0 112.558 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -108.9 132.93 53.58 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 127.389 2.276 . . . . 0.0 107.105 178.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.9 p -72.14 -19.93 61.7 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 130.234 3.414 . . . . 0.0 118.567 -176.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -77.62 -3.13 39.35 Favored 'General case' 0 C--N 1.357 0.923 0 N-CA-C 120.893 3.664 . . . . 0.0 120.893 -169.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.49 33.64 11.33 Favored Glycine 0 C--N 1.365 2.149 0 CA-C-N 121.034 1.743 . . . . 0.0 115.411 177.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 13.5 p -85.42 149.54 4.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 C-N-CA 128.37 2.668 . . . . 0.0 113.004 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 6.9 t -70.88 120.34 16.33 Favored 'General case' 0 C--N 1.377 1.789 0 C-N-CA 125.712 1.605 . . . . 0.0 109.075 171.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -99.94 122.59 43.09 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.919 1.288 . . . . 0.0 112.551 -171.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -116.63 129.79 56.36 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 126.377 1.871 . . . . 0.0 110.895 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.6 142.4 13.8 Favored Glycine 0 C--N 1.362 2.007 0 N-CA-C 107.447 -2.261 . . . . 0.0 107.447 170.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.478 HD11 ' CG ' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -117.96 119.46 61.54 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 N-CA-C 101.36 -3.57 . . . . 0.0 101.36 173.771 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 44.5 mt -115.93 112.78 41.08 Favored 'Isoleucine or valine' 0 C--N 1.362 1.132 0 N-CA-C 105.892 -1.892 . . . . 0.0 105.892 -175.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -118.92 139.13 52.16 Favored 'General case' 0 CA--C 1.495 -1.144 0 O-C-N 120.366 -1.459 . . . . 0.0 107.212 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 4.7 t -130.95 147.8 33.07 Favored 'Isoleucine or valine' 0 C--O 1.248 1.01 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 174.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -111.11 135.82 51.06 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 126.132 1.773 . . . . 0.0 106.319 172.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -130.63 142.68 50.45 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 106.252 -1.759 . . . . 0.0 106.252 -176.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 48.5 m -130.83 142.99 50.42 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 121.228 -0.92 . . . . 0.0 110.082 -172.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 12.8 pt -129.54 142.05 44.93 Favored 'Isoleucine or valine' 0 C--N 1.364 1.212 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 177.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 73.39 96.71 0.07 Allowed 'General case' 0 C--N 1.367 1.348 0 N-CA-C 118.237 2.68 . . . . 0.0 118.237 176.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -161.1 -178.93 7.09 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 104.251 -2.5 . . . . 0.0 104.251 174.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -75.4 0.29 17.44 Favored 'General case' 0 C--N 1.363 1.155 0 C-N-CA 130.083 3.353 . . . . 0.0 117.032 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 21.8 p -95.86 101.91 13.65 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 127.499 2.32 . . . . 0.0 110.457 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.58 0 N-CA-C 109.121 -1.592 . . . . 0.0 109.121 -178.593 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 . . . . . 0 N--CA 1.44 -0.927 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 171.93 179.6 42.99 Favored Glycine 0 C--N 1.348 1.219 0 N-CA-C 103.922 -3.671 . . . . 0.0 103.922 -178.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -135.95 54.52 1.9 Allowed 'General case' 0 C--N 1.35 0.611 0 CA-C-O 123.828 1.775 . . . . 0.0 107.338 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -158.4 155.8 29.29 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 -175.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 t -99.14 173.91 6.58 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 124.499 1.12 . . . . 0.0 110.003 177.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.3 p90 -104.35 145.13 30.69 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 126.547 1.939 . . . . 0.0 109.614 -177.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -71.36 -23.15 61.85 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 126.185 1.794 . . . . 0.0 113.698 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.8 mt -65.88 -22.87 66.55 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 130.895 3.678 . . . . 0.0 112.024 173.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.408 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . . . -63.06 -34.14 76.94 Favored 'General case' 0 C--N 1.375 1.689 0 C-N-CA 126.999 2.12 . . . . 0.0 113.515 174.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.471 ' O ' HD12 ' A' ' 10' ' ' LEU 0.297 52.8 p -57.49 -46.38 83.78 Favored 'General case' 0 C--N 1.373 1.62 0 C-N-CA 128.125 2.57 . . . . 0.0 113.148 175.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.483 9.2 ptm180 -72.41 -35.56 68.42 Favored 'General case' 0 C--N 1.356 0.879 1 C-N-CA 132.214 4.206 . . . . 0.0 115.477 166.151 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' A' ' 6' ' ' ALA . . . -51.56 -23.15 3.83 Favored 'General case' 0 CA--C 1.567 1.63 0 O-C-N 117.012 -3.555 . . . . 0.0 114.13 171.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.483 HD13 ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -55.86 -29.58 60.14 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 118.481 2.771 . . . . 0.0 118.481 158.577 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.483 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -70.16 -43.7 70.31 Favored 'General case' 0 C--N 1.378 1.845 0 C-N-CA 131.308 3.843 . . . . 0.0 110.182 168.658 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.383 0.0 OUTLIER -67.21 -30.04 69.86 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.054 -1.654 . . . . 0.0 113.701 168.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.67 -36.03 73.14 Favored 'General case' 0 C--N 1.362 1.143 0 C-N-CA 125.961 1.704 . . . . 0.0 113.077 170.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.334 0.7 OUTLIER -70.07 -36.65 75.1 Favored 'General case' 0 C--N 1.375 1.696 0 O-C-N 120.632 -1.292 . . . . 0.0 110.727 171.867 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.94 -31.28 53.03 Favored 'Isoleucine or valine' 0 C--N 1.371 1.506 0 O-C-N 120.088 -1.633 . . . . 0.0 113.797 172.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -70.94 -34.12 71.17 Favored 'General case' 0 C--N 1.367 1.36 0 C-N-CA 125.067 1.347 . . . . 0.0 113.127 171.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.521 ' HB2' ' HB3' ' A' ' 93' ' ' LYS 0.394 8.1 p30 -65.76 -36.94 84.97 Favored 'General case' 0 C--N 1.37 1.487 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 169.6 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.479 ' HB3' HG21 ' A' ' 31' ' ' VAL . 20.6 mt -61.34 -42.15 98.22 Favored 'General case' 0 C--N 1.369 1.451 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 169.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.87 -15.91 57.74 Favored 'General case' 0 C--N 1.368 1.373 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 170.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.6 m -84.32 -24.95 29.59 Favored 'General case' 0 C--N 1.375 1.714 0 C-N-CA 125.28 1.432 . . . . 0.0 112.703 177.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -80.4 99.13 7.81 Favored 'General case' 0 C--N 1.361 1.09 0 O-C-N 120.603 -1.311 . . . . 0.0 111.199 177.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.357 6.2 pt20 -46.22 -40.83 19.52 Favored Pre-proline 0 C--N 1.366 1.301 0 N-CA-C 120.391 3.478 . . . . 0.0 120.391 -177.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -65.88 -22.56 55.99 Favored 'Trans proline' 0 C--N 1.362 1.262 0 C-N-CA 124.734 3.623 . . . . 0.0 115.752 167.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.5 -25.57 62.31 Favored 'General case' 0 C--N 1.377 1.769 0 CA-C-N 121.778 2.081 . . . . 0.0 114.222 -176.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 84.2 mmm -76.56 -26.92 55.62 Favored 'General case' 0 C--N 1.349 0.573 1 C-N-CA 131.921 4.088 . . . . 0.0 113.051 173.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -86.87 -39.77 15.51 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 127.036 2.134 . . . . 0.0 111.669 174.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.3 mmt -79.71 -32.83 41.29 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 127.223 2.209 . . . . 0.0 114.375 178.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.491 HG13 ' HA ' ' A' ' 43' ' ' TYR . 3.2 t -126.77 144.22 37.66 Favored 'Isoleucine or valine' 0 C--N 1.365 1.241 0 N-CA-C 101.827 -3.398 . . . . 0.0 101.827 173.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -102.92 -8.61 20.55 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 118.582 -2.574 . . . . 0.0 112.367 178.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.402 0.4 OUTLIER -136.69 39.99 2.59 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 110.213 -3.176 . . . . 0.0 113.833 -153.464 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.479 HG21 ' HB3' ' A' ' 18' ' ' LEU . 7.8 p -89.07 109.37 20.15 Favored 'Isoleucine or valine' 0 C--N 1.37 1.476 0 O-C-N 119.87 -1.769 . . . . 0.0 107.376 176.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.6 t -145.95 169.01 19.48 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 124.281 1.991 . . . . 0.0 116.033 -167.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -131.03 73.19 1.53 Allowed 'General case' 0 C--N 1.355 0.807 0 C-N-CA 128.335 2.654 . . . . 0.0 104.821 176.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 96.8 p -167.14 -170.16 0.22 Allowed Pre-proline 0 C--N 1.351 0.647 0 N-CA-C 104.37 -2.455 . . . . 0.0 104.37 -172.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -71.28 157.97 55.71 Favored 'Trans proline' 0 CA--C 1.554 1.504 0 C-N-CA 123.511 2.807 . . . . 0.0 110.009 158.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 173.03 -47.09 0.16 Allowed Glycine 0 C--N 1.359 1.822 0 C-N-CA 119.395 -1.383 . . . . 0.0 110.495 -173.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.364 0.0 OUTLIER -48.28 -0.03 0.01 OUTLIER 'General case' 0 C--N 1.36 1.025 2 C-N-CA 132.856 4.463 . . . . 0.0 122.09 -173.254 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -106.61 11.22 30.71 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 128.596 2.758 . . . . 0.0 110.768 173.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -87.68 165.49 29.83 Favored Pre-proline 0 C--N 1.363 1.194 0 O-C-N 119.962 -1.711 . . . . 0.0 111.88 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.19 135.62 17.15 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 124.628 3.552 . . . . 0.0 112.521 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.43 ' CD1' ' HB2' ' A' ' 71' ' ' TRP . 33.7 m-85 -69.36 156.88 90.78 Favored Pre-proline 0 C--N 1.362 1.135 0 C-N-CA 130.866 3.667 . . . . 0.0 117.136 -173.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -83.78 147.95 57.02 Favored 'Cis proline' 0 C--N 1.361 1.21 0 CA-C-N 123.172 2.169 . . . . 0.0 114.205 0.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.491 ' HA ' HG13 ' A' ' 28' ' ' VAL 0.48 15.7 p90 -179.54 169.36 1.39 Allowed 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 125.63 1.572 . . . . 0.0 114.08 -178.284 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.4 t -138.46 145.47 28.17 Favored 'Isoleucine or valine' 0 C--N 1.411 3.276 0 N-CA-C 116.893 2.183 . . . . 0.0 116.893 -175.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.5 m -125.25 163.77 25.5 Favored 'Isoleucine or valine' 0 C--N 1.376 1.744 0 O-C-N 119.85 -1.781 . . . . 0.0 112.166 166.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.7 mm -87.97 140.44 15.8 Favored 'Isoleucine or valine' 0 C--N 1.377 1.771 0 C-N-CA 126.627 1.971 . . . . 0.0 105.977 166.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.78 -168.0 22.06 Favored Glycine 0 CA--C 1.49 -1.477 0 N-CA-C 108.419 -1.873 . . . . 0.0 108.419 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -146.33 132.19 19.09 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -99.11 149.12 23.36 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 125.724 1.609 . . . . 0.0 109.324 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.6 m 173.16 -167.72 0.03 OUTLIER 'General case' 0 C--N 1.361 1.079 0 N-CA-C 103.152 -2.907 . . . . 0.0 103.152 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . 0.308 14.6 p 136.75 -27.96 0.01 OUTLIER 'General case' 0 C--N 1.369 1.425 0 C-N-CA 129.784 3.233 . . . . 0.0 107.12 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.5 t -100.58 145.91 31.14 Favored Pre-proline 0 C--N 1.347 0.492 0 C-N-CA 128.766 2.826 . . . . 0.0 104.277 171.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -77.32 124.7 7.3 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.9 3.067 . . . . 0.0 111.513 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -136.35 136.75 39.94 Favored 'General case' 0 C--N 1.356 0.883 0 O-C-N 121.051 -1.03 . . . . 0.0 108.739 177.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -169.51 142.25 2.56 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 127.633 2.373 . . . . 0.0 105.796 174.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 p -122.89 111.03 16.16 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 125.012 1.325 . . . . 0.0 108.184 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -118.6 167.31 11.75 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 126.787 2.035 . . . . 0.0 107.562 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.6 t 78.95 27.26 0.43 Allowed 'General case' 0 C--N 1.365 1.242 0 C-N-CA 126.602 1.961 . . . . 0.0 114.155 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.2 t -149.66 170.02 19.66 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 103.672 -2.714 . . . . 0.0 103.672 177.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -82.53 50.55 1.67 Allowed 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.47 1.908 . . . . 0.0 111.859 176.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.69 65.22 4.07 Favored Glycine 0 C--N 1.361 1.941 0 C-N-CA 128.482 2.944 . . . . 0.0 115.265 -171.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -85.19 61.34 6.8 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 125.79 1.636 . . . . 0.0 111.445 176.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.51 154.51 24.64 Favored 'General case' 0 C--N 1.359 1.003 0 O-C-N 120.68 -1.263 . . . . 0.0 111.317 -176.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 mp -106.24 121.83 59.22 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 C-N-CA 129.954 3.302 . . . . 0.0 104.278 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.6 p -101.94 116.72 33.32 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 119.685 -1.885 . . . . 0.0 111.181 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.6 mmt -153.89 152.5 30.7 Favored 'General case' 0 C--N 1.364 1.237 0 CA-C-O 122.215 1.007 . . . . 0.0 111.919 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.12 163.64 23.37 Favored 'General case' 0 C--N 1.369 1.433 0 CA-C-O 124.166 1.936 . . . . 0.0 112.259 -172.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.282 0.0 OUTLIER -137.57 139.45 40.43 Favored 'General case' 0 C--O 1.244 0.778 0 N-CA-C 103.347 -2.835 . . . . 0.0 103.347 172.368 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -121.89 122.3 39.09 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 127.024 2.13 . . . . 0.0 108.245 -173.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.0 p -126.59 131.73 70.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 C-N-CA 124.727 1.211 . . . . 0.0 109.997 -173.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.43 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -135.12 129.5 33.99 Favored 'General case' 0 C--N 1.372 1.556 0 CA-C-O 121.493 0.663 . . . . 0.0 111.594 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -123.69 151.78 17.07 Favored Glycine 0 C--N 1.366 2.242 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 175.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 175.07 112.82 0.31 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 104.83 -3.308 . . . . 0.0 104.83 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.4 m 174.26 -61.78 0.01 OUTLIER 'General case' 0 C--N 1.354 0.78 0 N-CA-C 101.826 -3.398 . . . . 0.0 101.826 -175.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.1 p -130.81 152.32 50.28 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 101.007 -3.701 . . . . 0.0 101.007 171.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.422 ' HE ' ' HZ2' ' A' ' 121' ' ' LYS 0.266 13.3 ptm180 -66.34 -34.63 78.4 Favored 'General case' 0 C--N 1.362 1.139 0 CA-C-N 120.343 1.429 . . . . 0.0 114.674 177.882 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.91 -36.11 83.33 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 130.288 3.435 . . . . 0.0 114.71 176.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -57.04 -32.76 66.53 Favored 'General case' 0 C--N 1.379 1.89 0 C-N-CA 125.564 1.545 . . . . 0.0 114.819 174.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.96 -38.27 82.59 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 129.001 2.92 . . . . 0.0 114.21 173.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -76.81 -36.45 56.92 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 125.57 1.548 . . . . 0.0 111.226 174.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -61.81 -49.88 74.54 Favored 'General case' 0 C--N 1.373 1.594 0 C-N-CA 126.207 1.803 . . . . 0.0 112.357 172.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.303 17.1 pt -62.75 -37.35 78.86 Favored 'Isoleucine or valine' 0 C--N 1.371 1.533 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 174.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -68.03 -49.85 58.95 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 127.361 2.264 . . . . 0.0 112.549 173.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.1 t -58.36 -43.89 88.6 Favored 'General case' 0 C--N 1.371 1.507 0 C-N-CA 128.297 2.639 . . . . 0.0 113.241 171.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 -66.8 -36.95 83.57 Favored 'General case' 0 C--N 1.372 1.554 0 C-N-CA 126.353 1.861 . . . . 0.0 114.339 171.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.349 0.3 OUTLIER -66.92 -49.35 74.81 Favored 'Isoleucine or valine' 0 C--N 1.382 1.981 0 CA-C-N 121.013 1.733 . . . . 0.0 112.592 176.38 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.3 mp -63.14 -40.07 96.52 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 119.462 -2.024 . . . . 0.0 113.447 176.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.453 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 33.0 tt0 -63.13 -38.07 89.7 Favored 'General case' 0 C--N 1.372 1.547 0 C-N-CA 125.976 1.71 . . . . 0.0 113.368 172.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.95 -43.45 65.21 Favored 'General case' 0 C--N 1.377 1.764 0 C-N-CA 126.744 2.018 . . . . 0.0 114.024 174.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.454 ' CD1' HD21 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -49.23 -50.27 39.3 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 130.635 3.574 . . . . 0.0 113.641 176.034 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.559 0.2 OUTLIER -102.3 10.24 39.33 Favored 'General case' 0 C--N 1.371 1.508 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 169.353 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.453 ' HB3' ' O ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -75.82 -43.38 46.3 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 118.802 -2.436 . . . . 0.0 109.762 175.577 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 17' ' ' ASN 0.277 0.1 OUTLIER -125.54 94.2 43.17 Favored Pre-proline 0 C--N 1.35 0.593 0 N-CA-C 104.368 -2.456 . . . . 0.0 104.368 179.243 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -63.63 149.02 91.93 Favored 'Trans proline' 0 C--N 1.378 2.117 0 C-N-CA 125.078 3.852 . . . . 0.0 116.809 -168.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.76 107.64 3.1 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 127.396 2.278 . . . . 0.0 116.542 -173.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 44.6 ttm -144.04 143.22 31.08 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 125.856 1.662 . . . . 0.0 107.405 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -135.68 108.41 7.51 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 67.98 26.47 7.38 Favored 'General case' 0 C--N 1.362 1.114 0 C-N-CA 130.013 3.325 . . . . 0.0 114.962 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.4 -6.36 61.2 Favored Glycine 0 C--N 1.355 1.588 0 C-N-CA 125.818 1.675 . . . . 0.0 112.737 -173.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -94.56 128.3 41.09 Favored 'General case' 0 C--N 1.36 1.052 0 CA-C-N 118.882 1.341 . . . . 0.0 111.323 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.0 m -107.32 134.65 50.07 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 125.671 1.589 . . . . 0.0 112.839 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -140.72 121.7 14.59 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 102.186 -3.265 . . . . 0.0 102.186 -179.562 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.7 t -106.17 142.43 19.16 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 C-N-CA 124.999 1.32 . . . . 0.0 108.334 -169.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.84 131.26 35.37 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -173.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -114.08 104.3 12.0 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 126.425 1.89 . . . . 0.0 106.968 177.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -154.57 118.37 4.64 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 119.419 -2.051 . . . . 0.0 105.821 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 97.6 mt -139.86 49.81 1.76 Allowed 'General case' 0 C--N 1.362 1.118 0 O-C-N 121.102 -0.998 . . . . 0.0 109.899 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.5 t -118.76 -74.78 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.851 0 O-C-N 121.156 -0.965 . . . . 0.0 108.895 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.37 121.9 45.76 Favored 'General case' 0 C--N 1.36 1.057 0 CA-C-O 122.467 1.127 . . . . 0.0 112.159 -178.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -145.69 38.87 1.13 Allowed 'General case' 0 C--N 1.357 0.914 0 O-C-N 120.419 -1.426 . . . . 0.0 108.195 -178.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -162.09 164.69 27.92 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -177.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 62.1 t -108.6 139.73 29.94 Favored 'Isoleucine or valine' 0 C--N 1.349 0.545 0 C-N-CA 129.401 3.08 . . . . 0.0 106.914 178.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 34.9 mm -108.03 132.1 56.65 Favored 'Isoleucine or valine' 0 C--N 1.365 1.272 0 O-C-N 120.902 -1.124 . . . . 0.0 109.288 178.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 93.4 m -91.0 134.44 34.48 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 129.096 2.959 . . . . 0.0 108.908 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -112.05 140.92 46.33 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 124.519 1.128 . . . . 0.0 109.444 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.9 t -64.69 -20.6 66.4 Favored 'General case' 0 C--N 1.369 1.437 0 C-N-CA 127.608 2.363 . . . . 0.0 115.665 -178.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -90.39 -12.84 36.35 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 127.421 2.288 . . . . 0.0 113.697 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 86.44 47.22 4.98 Favored Glycine 0 C--N 1.369 2.369 0 O-C-N 121.004 -1.06 . . . . 0.0 114.876 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.7 t -90.56 144.93 8.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 C-N-CA 125.681 1.592 . . . . 0.0 111.576 -175.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 22.3 p -76.67 125.21 28.86 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 127.36 2.264 . . . . 0.0 111.318 177.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.422 ' HZ2' ' HE ' ' A' ' 76' ' ' ARG . 3.7 mppt? -92.76 130.03 38.5 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 126.496 1.918 . . . . 0.0 110.341 -175.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 -129.48 142.0 50.88 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 128.707 2.803 . . . . 0.0 104.024 -176.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.68 139.88 11.32 Favored Glycine 0 C--N 1.353 1.505 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -120.75 116.73 50.86 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 N-CA-C 102.643 -3.095 . . . . 0.0 102.643 172.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.2 mt -113.31 122.4 67.36 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 -178.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -117.8 126.53 52.6 Favored 'General case' 0 C--N 1.364 1.224 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 178.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.42 145.39 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 CA-C-O 122.825 1.298 . . . . 0.0 109.287 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -110.79 114.98 28.75 Favored 'General case' 0 C--N 1.364 1.204 0 N-CA-C 103.692 -2.707 . . . . 0.0 103.692 168.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -100.98 140.48 35.22 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.396 -1.44 . . . . 0.0 107.131 -176.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 21.2 m -113.09 136.17 53.0 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.817 1.247 . . . . 0.0 111.205 -171.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.2 pt -85.78 116.68 29.28 Favored 'Isoleucine or valine' 0 C--N 1.363 1.176 0 CA-C-O 122.369 1.08 . . . . 0.0 111.367 176.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -144.05 141.63 30.19 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 127.396 2.278 . . . . 0.0 106.908 -176.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -100.05 -173.42 2.43 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.467 1.507 . . . . 0.0 112.995 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -135.03 -160.09 1.02 Allowed 'General case' 0 C--N 1.355 0.815 0 C-N-CA 127.015 2.126 . . . . 0.0 105.412 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 10.9 m -84.43 89.49 7.41 Favored 'General case' 0 C--N 1.367 1.354 0 O-C-N 120.3 -1.5 . . . . 0.0 112.826 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.358 1.786 0 C-N-CA 124.866 1.222 . . . . 0.0 112.989 176.658 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 N--CA 1.444 -0.746 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 157.25 -74.61 0.22 Allowed Glycine 0 C--N 1.35 1.334 0 N-CA-C 108.407 -1.877 . . . . 0.0 108.407 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 52.7 mt -88.86 64.4 7.21 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 125.779 1.632 . . . . 0.0 111.137 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -86.5 142.71 28.16 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-O 123.74 1.733 . . . . 0.0 113.807 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.1 m -153.32 115.23 4.3 Favored 'General case' 0 C--N 1.349 0.575 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -110.44 1.45 18.32 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 127.702 2.401 . . . . 0.0 108.901 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.9 mttp 71.45 -61.31 0.49 Allowed 'General case' 0 C--N 1.367 1.349 0 C-N-CA 129.588 3.155 . . . . 0.0 112.775 -176.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.83 -24.35 60.88 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 130.616 3.567 . . . . 0.0 113.014 178.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.54 -34.82 77.86 Favored 'General case' 0 C--N 1.371 1.506 0 CA-C-N 120.724 1.602 . . . . 0.0 114.313 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 23.5 m -56.87 -46.78 81.61 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 127.532 2.333 . . . . 0.0 113.36 171.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.468 0.0 OUTLIER -74.24 -38.28 63.54 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 131.422 3.889 . . . . 0.0 116.155 170.568 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.414 ' HA ' ' HG3' ' A' ' 12' ' ' LYS . . . -56.02 -23.75 34.93 Favored 'General case' 0 C--N 1.366 1.315 0 O-C-N 117.326 -3.359 . . . . 0.0 113.62 173.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.801 HD23 HG21 ' A' ' 64' ' ' ILE 0.272 1.6 tp -55.31 -40.37 71.05 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 127.398 2.279 . . . . 0.0 115.414 161.243 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -70.02 -39.17 75.98 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 126.489 1.916 . . . . 0.0 111.688 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.414 ' HG3' ' HA ' ' A' ' 9' ' ' ALA 0.327 0.0 OUTLIER -68.01 -30.13 69.3 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 165.796 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.88 72.57 Favored 'General case' 0 C--N 1.364 1.2 0 O-C-N 119.775 -1.828 . . . . 0.0 112.799 172.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.422 ' HG1' HD12 ' A' ' 10' ' ' LEU . 10.0 m -69.93 -35.09 74.26 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 127.203 2.201 . . . . 0.0 111.19 175.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.42 -31.79 54.4 Favored 'Isoleucine or valine' 0 C--N 1.374 1.637 0 O-C-N 120.466 -1.396 . . . . 0.0 112.27 168.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -70.69 -29.78 66.18 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 124.74 1.216 . . . . 0.0 112.999 170.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.465 ' OD1' ' HG2' ' A' ' 93' ' ' LYS . 11.0 m-20 -65.45 -38.86 91.1 Favored 'General case' 0 C--N 1.372 1.544 0 O-C-N 118.921 -2.362 . . . . 0.0 111.67 169.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 mp -62.3 -35.86 80.34 Favored 'General case' 0 C--N 1.377 1.793 0 C-N-CA 127.131 2.173 . . . . 0.0 112.595 169.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -31.48 65.49 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 126.109 1.763 . . . . 0.0 113.455 170.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.1 t -76.08 -35.42 59.38 Favored 'General case' 0 C--N 1.374 1.656 0 C-N-CA 125.171 1.388 . . . . 0.0 114.202 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -75.45 95.27 3.24 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 123.022 1.392 . . . . 0.0 113.14 -177.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.354 1.2 pt20 -40.38 -45.59 5.26 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 130.47 3.508 . . . . 0.0 118.845 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.54 -19.82 65.3 Favored 'Trans proline' 0 CA--C 1.55 1.305 0 C-N-CA 125.16 3.907 . . . . 0.0 116.298 166.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.94 -32.5 59.59 Favored 'General case' 0 C--N 1.374 1.633 0 CA-C-N 122.029 2.195 . . . . 0.0 112.361 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.9 mmm -66.18 -28.21 68.59 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 129.574 3.15 . . . . 0.0 114.834 176.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -80.28 -18.33 49.64 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 126.924 2.089 . . . . 0.0 112.805 175.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 51.0 mtt -102.36 -45.69 5.02 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.731 2.012 . . . . 0.0 115.607 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' A' ' 43' ' ' TYR . 1.4 p -122.32 143.69 34.19 Favored 'Isoleucine or valine' 0 C--N 1.364 1.217 0 O-C-N 119.116 -2.24 . . . . 0.0 106.415 177.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -102.92 -26.31 13.15 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 125.679 2.657 . . . . 0.0 111.095 172.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.493 3.3 mp0 -97.34 40.71 1.14 Allowed 'General case' 0 N--CA 1.428 -1.572 1 C-N-CA 137.513 6.325 . . . . 0.0 114.138 -166.233 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.27 108.58 18.83 Favored 'Isoleucine or valine' 0 C--N 1.375 1.714 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 173.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.3 t -132.23 158.45 41.75 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.336 1.455 . . . . 0.0 113.577 -173.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -99.57 -9.92 22.67 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 126.133 1.773 . . . . 0.0 113.412 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . 0.292 14.8 m -166.43 -79.89 0.0 OUTLIER Pre-proline 0 C--N 1.356 0.855 0 CA-C-O 114.765 -2.54 . . . . 0.0 110.011 178.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -72.82 138.32 28.6 Favored 'Trans proline' 0 C--N 1.366 1.472 0 C-N-CA 124.477 3.451 . . . . 0.0 112.599 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.1 28.57 2.82 Favored Glycine 0 C--N 1.363 2.068 0 O-C-N 120.311 -1.493 . . . . 0.0 111.22 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.46 ' HA ' HG11 ' A' ' 45' ' ' VAL 0.326 0.0 OUTLIER -86.91 -26.07 24.1 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 127.442 2.297 . . . . 0.0 114.358 171.955 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 52.2 p30 -95.05 15.29 19.29 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 127.521 2.329 . . . . 0.0 116.094 -175.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -85.36 169.02 17.27 Favored Pre-proline 0 C--N 1.359 1.008 0 C-N-CA 124.138 0.975 . . . . 0.0 112.642 176.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -75.32 146.46 31.56 Favored 'Trans proline' 0 CA--C 1.551 1.346 0 C-N-CA 124.122 3.215 . . . . 0.0 113.866 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.427 ' CE1' ' HB2' ' A' ' 71' ' ' TRP . 76.7 m-85 -65.11 145.35 99.11 Favored Pre-proline 0 C--N 1.369 1.43 0 C-N-CA 130.315 3.446 . . . . 0.0 114.669 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -87.62 149.64 34.71 Favored 'Cis proline' 0 C--N 1.354 0.858 0 CA-C-N 123.074 2.134 . . . . 0.0 113.453 4.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.493 ' HA ' HG23 ' A' ' 28' ' ' VAL . 34.1 p90 -172.03 168.63 5.83 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 124.144 0.978 . . . . 0.0 113.435 -178.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.9 t -133.89 124.15 46.38 Favored 'Isoleucine or valine' 0 C--N 1.398 2.705 0 CA-C-O 123.364 1.554 . . . . 0.0 114.02 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.46 HG11 ' HA ' ' A' ' 37' ' ' LYS . 17.7 m -112.76 145.98 18.06 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 O-C-N 120.43 -1.419 . . . . 0.0 110.717 175.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.2 mm -79.86 140.13 17.22 Favored 'Isoleucine or valine' 0 C--N 1.375 1.715 0 C-N-CA 126.02 1.728 . . . . 0.0 107.353 169.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -166.02 -178.83 39.15 Favored Glycine 0 CA--C 1.485 -1.803 0 N-CA-C 108.649 -1.78 . . . . 0.0 108.649 -176.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -145.05 120.68 10.45 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -176.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -95.45 127.63 41.65 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 127.064 2.146 . . . . 0.0 107.839 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.3 m -177.28 171.77 1.97 Allowed 'General case' 0 C--N 1.353 0.736 0 N-CA-C 105.325 -2.102 . . . . 0.0 105.325 -179.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.8 m -178.74 -35.34 0.01 OUTLIER 'General case' 0 C--N 1.362 1.119 0 C-N-CA 124.953 1.301 . . . . 0.0 109.203 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.7 m -95.42 -56.69 0.21 Allowed Pre-proline 0 C--N 1.36 1.048 0 CA-C-O 115.585 -2.15 . . . . 0.0 114.151 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -79.8 150.34 21.14 Favored 'Trans proline' 0 C--N 1.359 1.104 0 CA-C-N 126.77 3.454 . . . . 0.0 115.22 -171.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -135.95 150.79 49.41 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 105.078 -2.193 . . . . 0.0 105.078 176.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -83.53 54.24 2.78 Favored 'General case' 0 C--N 1.364 1.238 0 CA-C-O 123.878 1.799 . . . . 0.0 113.382 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 85.6 m -158.93 126.13 4.83 Favored 'General case' 0 CA--C 1.497 -1.089 0 N-CA-C 100.322 -3.955 . . . . 0.0 100.322 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt 80.63 45.35 0.04 OUTLIER 'General case' 0 C--N 1.361 1.093 0 C-N-CA 127.46 2.304 . . . . 0.0 111.437 -173.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.5 t -162.61 179.96 7.34 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 125.756 1.622 . . . . 0.0 106.917 -178.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 m -68.13 55.98 0.07 Allowed 'General case' 0 C--N 1.358 0.94 0 C-N-CA 131.083 3.753 . . . . 0.0 118.65 -171.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.4 t80 71.49 -50.19 0.69 Allowed 'General case' 0 C--N 1.357 0.896 0 C-N-CA 128.293 2.637 . . . . 0.0 115.078 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.5 52.62 1.81 Allowed Glycine 0 C--N 1.352 1.467 0 C-N-CA 125.127 1.346 . . . . 0.0 113.226 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -117.11 81.72 1.69 Allowed 'General case' 0 C--N 1.357 0.93 0 C-N-CA 125.347 1.459 . . . . 0.0 107.116 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -161.88 166.47 26.21 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 102.532 -3.136 . . . . 0.0 102.532 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.801 HG21 HD23 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -115.86 122.12 68.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 N-CA-C 101.111 -3.663 . . . . 0.0 101.111 176.278 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.5 p -129.06 117.0 20.16 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 177.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 28.5 tpp -154.03 156.37 37.24 Favored 'General case' 0 C--N 1.369 1.445 0 CA-C-O 122.513 1.149 . . . . 0.0 112.72 -175.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.94 163.86 28.59 Favored 'General case' 0 C--N 1.364 1.22 0 CA-C-O 125.265 2.46 . . . . 0.0 112.987 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.447 ' CZ ' HD11 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -130.26 139.42 50.76 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 101.492 -3.521 . . . . 0.0 101.492 173.415 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -112.59 118.43 35.07 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 101.404 -3.554 . . . . 0.0 101.404 -176.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.431 HG21 HG11 ' A' ' 86' ' ' VAL . 67.4 t -123.11 111.79 31.1 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.519 0 N-CA-C 103.731 -2.692 . . . . 0.0 103.731 -165.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.427 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -129.75 138.8 51.28 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 116.463 -2.095 . . . . 0.0 110.801 -174.86 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.1 150.73 17.27 Favored Glycine 0 C--N 1.359 1.841 0 N-CA-C 106.481 -2.648 . . . . 0.0 106.481 171.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -134.21 31.88 2.73 Favored Glycine 0 C--N 1.351 1.373 0 N-CA-C 107.306 -2.317 . . . . 0.0 107.306 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.1 m -106.05 -53.68 2.6 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 126.72 2.008 . . . . 0.0 113.048 -169.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.3 m -164.11 154.16 14.7 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 105.225 -2.139 . . . . 0.0 105.225 -176.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -52.46 -46.2 66.38 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 130.866 3.666 . . . . 0.0 115.799 175.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.47 -36.28 65.81 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 129.726 3.21 . . . . 0.0 113.903 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -68.04 -36.33 79.72 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 127.068 2.147 . . . . 0.0 113.027 177.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.471 ' CB ' ' H ' ' A' ' 121' ' ' LYS . . . -68.53 -36.38 78.77 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 128.456 2.702 . . . . 0.0 114.406 174.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -77.72 -32.64 53.0 Favored 'General case' 0 C--N 1.366 1.311 0 O-C-N 120.549 -1.344 . . . . 0.0 112.363 171.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -62.5 -45.17 94.24 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 127.839 2.456 . . . . 0.0 112.328 172.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.476 ' HA ' ' HG3' ' A' ' 85' ' ' ARG 0.285 19.5 pt -65.36 -39.66 86.0 Favored 'Isoleucine or valine' 0 C--N 1.38 1.917 0 CA-C-N 119.78 1.173 . . . . 0.0 113.689 172.293 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.0 t -62.49 -49.62 74.67 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 127.127 2.171 . . . . 0.0 112.945 174.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 t -65.85 -42.14 90.84 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 128.961 2.904 . . . . 0.0 113.912 173.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.476 ' HG3' ' HA ' ' A' ' 82' ' ' ILE 0.467 0.0 OUTLIER -70.76 -29.39 65.61 Favored 'General case' 0 C--N 1.379 1.888 0 C-N-CA 125.69 1.596 . . . . 0.0 115.215 174.318 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.431 HG11 HG21 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -69.25 -49.18 63.5 Favored 'Isoleucine or valine' 0 C--N 1.384 2.089 0 C-N-CA 125.503 1.521 . . . . 0.0 110.676 170.27 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.251 0.3 OUTLIER -58.6 -40.29 82.84 Favored 'General case' 0 C--N 1.372 1.584 0 C-N-CA 128.302 2.641 . . . . 0.0 112.76 174.549 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.7 -46.1 87.03 Favored 'General case' 0 C--N 1.376 1.719 0 C-N-CA 126.108 1.763 . . . . 0.0 113.463 170.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.426 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . . . -61.63 -42.05 98.35 Favored 'General case' 0 C--N 1.379 1.872 0 C-N-CA 126.873 2.069 . . . . 0.0 114.684 171.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.447 HD11 ' CZ ' ' A' ' 68' ' ' PHE . 1.6 mp -50.51 -49.25 56.1 Favored 'General case' 0 C--N 1.379 1.869 0 C-N-CA 129.024 2.93 . . . . 0.0 113.928 175.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.781 0.2 OUTLIER -106.11 11.61 31.19 Favored 'General case' 0 C--N 1.376 1.72 0 N-CA-C 117.514 2.413 . . . . 0.0 117.514 169.853 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.426 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -74.62 -41.77 59.8 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 119.214 -2.179 . . . . 0.0 107.348 172.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.465 ' HG2' ' OD1' ' A' ' 17' ' ' ASN 0.251 9.6 tptp -104.26 134.26 19.78 Favored Pre-proline 0 N--CA 1.431 -1.417 0 N-CA-C 103.182 -2.896 . . . . 0.0 103.182 175.274 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -78.95 152.49 24.81 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 123.688 2.925 . . . . 0.0 110.676 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.37 107.26 13.03 Favored 'General case' 0 C--N 1.36 1.048 0 CA-C-O 125.193 2.425 . . . . 0.0 113.462 -177.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 15.1 ttt -145.34 151.06 37.7 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 111.7 -2.5 . . . . 0.0 108.007 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.409 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 62.0 t80 -134.87 107.04 7.15 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 104.798 -2.297 . . . . 0.0 104.798 167.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 66.18 -76.0 0.05 OUTLIER 'General case' 0 C--N 1.35 0.607 1 C-N-CA 133.672 4.789 . . . . 0.0 116.673 170.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.24 19.75 2.47 Favored Glycine 0 CA--C 1.496 -1.118 0 N-CA-C 106.977 -2.449 . . . . 0.0 106.977 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -121.45 124.82 45.4 Favored 'General case' 0 C--N 1.366 1.31 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.3 m -121.67 138.02 54.51 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 125.487 1.515 . . . . 0.0 107.779 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.652 ' CE1' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -134.35 147.74 50.6 Favored 'General case' 0 C--N 1.345 0.38 0 C-N-CA 128.711 2.804 . . . . 0.0 105.447 -178.552 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.6 t -106.49 132.01 54.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 C-N-CA 127.285 2.234 . . . . 0.0 107.881 -175.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.88 138.8 34.98 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 126.387 1.875 . . . . 0.0 113.846 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -76.46 134.74 39.46 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 126.82 2.048 . . . . 0.0 114.467 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.14 126.59 49.14 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 125.674 1.59 . . . . 0.0 108.041 177.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -155.56 169.02 25.26 Favored 'General case' 0 C--N 1.358 0.936 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 -178.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.7 p -74.7 50.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.367 1.33 0 C-N-CA 127.621 2.368 . . . . 0.0 114.839 -177.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.62 61.99 2.32 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 127.225 2.21 . . . . 0.0 111.096 -177.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -128.73 12.64 6.33 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 124.906 1.282 . . . . 0.0 109.417 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -80.57 61.25 4.21 Favored 'General case' 0 C--N 1.36 1.065 0 N-CA-C 116.747 2.128 . . . . 0.0 116.747 -173.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.2 t -99.28 138.76 22.74 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 C-N-CA 127.142 2.177 . . . . 0.0 108.636 176.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 31.4 mm -106.44 158.19 6.64 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 C-N-CA 125.741 1.616 . . . . 0.0 108.268 176.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 96.8 m -108.35 139.14 43.5 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 129.217 3.007 . . . . 0.0 107.063 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -99.82 123.53 44.17 Favored 'General case' 0 C--N 1.362 1.111 0 O-C-N 119.739 -1.851 . . . . 0.0 110.354 177.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.9 p -64.51 -20.86 66.47 Favored 'General case' 0 C--N 1.363 1.184 0 C-N-CA 130.747 3.619 . . . . 0.0 115.602 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -90.04 -9.66 47.72 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 127.509 2.323 . . . . 0.0 112.894 177.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.31 47.16 4.75 Favored Glycine 0 C--N 1.364 2.131 0 O-C-N 121.189 -0.944 . . . . 0.0 115.175 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 14.3 t -93.63 148.48 4.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.925 0 C-N-CA 124.803 1.241 . . . . 0.0 113.19 -175.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.2 t -71.73 139.36 49.07 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 130.401 3.48 . . . . 0.0 111.114 175.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.471 ' H ' ' CB ' ' A' ' 79' ' ' ALA . 73.2 mmtt -94.04 140.92 29.13 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 120.307 -1.496 . . . . 0.0 112.99 -178.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -117.78 116.31 26.74 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 100.5 -3.889 . . . . 0.0 100.5 171.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -123.36 129.29 7.31 Favored Glycine 0 CA--C 1.484 -1.886 0 N-CA-C 107.851 -2.099 . . . . 0.0 107.851 -169.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -105.04 114.91 45.83 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 N-CA-C 103.101 -2.925 . . . . 0.0 103.101 176.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.3 mm -104.99 113.46 42.1 Favored 'Isoleucine or valine' 0 C--N 1.358 0.942 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 -172.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -124.17 136.52 54.25 Favored 'General case' 0 CA--C 1.492 -1.27 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -177.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 40.0 t -131.01 144.33 38.17 Favored 'Isoleucine or valine' 0 C--O 1.247 0.924 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 177.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -117.71 129.35 55.66 Favored 'General case' 0 C--N 1.362 1.123 0 N-CA-C 104.709 -2.33 . . . . 0.0 104.709 174.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -126.32 145.27 50.5 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 104.179 -2.526 . . . . 0.0 104.179 -173.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 46.0 m -135.69 142.17 45.06 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 119.908 -1.745 . . . . 0.0 109.705 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.4 HG23 ' HB3' ' A' ' 102' ' ' PHE . 4.9 pt -106.5 141.93 20.59 Favored 'Isoleucine or valine' 0 C--N 1.363 1.193 0 C-N-CA 129.643 3.177 . . . . 0.0 102.938 175.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -50.64 92.78 0.01 OUTLIER 'General case' 0 C--N 1.36 1.063 0 N-CA-C 121.267 3.802 . . . . 0.0 121.267 -166.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -93.41 174.12 7.36 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 126.02 1.728 . . . . 0.0 113.445 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -82.95 66.47 8.59 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 127.975 2.51 . . . . 0.0 113.462 177.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 22.2 p -87.74 90.54 8.42 Favored 'General case' 0 C--N 1.347 0.488 0 C-N-CA 125.753 1.621 . . . . 0.0 110.538 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.459 0 N-CA-C 108.78 -1.728 . . . . 0.0 108.78 -177.955 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 6.6 pm0 . . . . . 0 N--CA 1.435 -1.191 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -136.57 98.12 0.28 Allowed Glycine 0 C--N 1.357 1.749 0 C-N-CA 125.106 1.336 . . . . 0.0 110.557 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 26.0 tp 71.16 -64.79 0.37 Allowed 'General case' 0 C--N 1.365 1.276 0 C-N-CA 127.83 2.452 . . . . 0.0 116.328 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -120.96 125.63 47.89 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 127.053 2.141 . . . . 0.0 106.548 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.6 p -91.8 0.96 57.46 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 125.502 1.521 . . . . 0.0 114.348 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.287 1.8 t90 84.01 63.6 0.01 OUTLIER 'General case' 0 C--N 1.359 0.99 0 C-N-CA 131.069 3.748 . . . . 0.0 111.696 -177.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -102.88 171.68 7.26 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 126.895 2.078 . . . . 0.0 109.74 -176.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.411 HD23 ' H ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -57.17 -27.16 61.65 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 128.92 2.888 . . . . 0.0 116.606 -177.481 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.53 -33.62 70.07 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 127.274 2.229 . . . . 0.0 114.244 173.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.565 ' HB3' HD12 ' A' ' 64' ' ' ILE . 6.9 m -57.04 -47.95 79.69 Favored 'General case' 0 C--N 1.367 1.355 0 C-N-CA 127.895 2.478 . . . . 0.0 113.579 176.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.492 78.3 ttt-85 -72.58 -35.7 67.98 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 131.228 3.811 . . . . 0.0 114.353 170.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.17 -22.91 4.74 Favored 'General case' 0 CA--C 1.566 1.575 0 O-C-N 118.488 -2.633 . . . . 0.0 114.241 167.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.587 HD13 ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -56.13 -33.58 65.29 Favored 'General case' 0 C--N 1.373 1.629 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 160.786 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.587 ' N ' HD13 ' A' ' 10' ' ' LEU . 7.9 tp60 -70.48 -37.88 74.3 Favored 'General case' 0 C--N 1.374 1.643 0 C-N-CA 128.708 2.803 . . . . 0.0 110.282 172.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -64.83 -32.5 74.22 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.777 -1.202 . . . . 0.0 114.232 167.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.19 -33.09 67.39 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 127.019 2.127 . . . . 0.0 112.143 171.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.8 m -69.96 -44.64 69.09 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 127.927 2.491 . . . . 0.0 111.197 172.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.18 -30.71 50.38 Favored 'Isoleucine or valine' 0 C--N 1.366 1.303 0 C-N-CA 126.837 2.055 . . . . 0.0 112.802 170.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -70.44 -36.18 73.8 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 124.294 1.038 . . . . 0.0 112.172 170.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . 0.423 12.9 p30 -62.48 -36.52 82.74 Favored 'General case' 0 C--N 1.365 1.272 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 168.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 mt -61.62 -40.64 95.59 Favored 'General case' 0 C--N 1.37 1.474 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 167.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -26.44 59.59 Favored 'General case' 0 C--N 1.37 1.461 0 C-N-CA 125.512 1.525 . . . . 0.0 113.768 173.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -86.79 -22.13 26.07 Favored 'General case' 0 C--N 1.371 1.501 0 C-N-CA 127.007 2.123 . . . . 0.0 113.571 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -81.11 98.45 8.02 Favored 'General case' 0 C--N 1.357 0.912 0 C-N-CA 124.866 1.266 . . . . 0.0 111.868 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.403 6.2 pt20 -40.58 -48.49 6.96 Favored Pre-proline 0 C--N 1.368 1.388 0 N-CA-C 121.036 3.717 . . . . 0.0 121.036 -174.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -65.9 -20.47 58.04 Favored 'Trans proline' 0 CA--C 1.552 1.378 0 CA-C-N 127.139 3.585 . . . . 0.0 115.694 168.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 tt -76.18 -26.05 55.82 Favored 'General case' 0 C--N 1.375 1.698 0 CA-C-N 122.357 2.344 . . . . 0.0 113.173 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 67.3 mtp -65.65 -27.99 68.77 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 128.091 2.557 . . . . 0.0 113.272 175.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -82.49 -9.97 59.21 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 126.969 2.107 . . . . 0.0 112.251 172.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.9 mmt -102.33 -31.05 10.7 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 127.908 2.483 . . . . 0.0 111.868 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.438 HG21 ' HB ' ' A' ' 31' ' ' VAL . 6.1 m -122.86 144.39 32.48 Favored 'Isoleucine or valine' 0 C--N 1.364 1.227 0 O-C-N 119.713 -1.867 . . . . 0.0 110.431 178.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.39 -8.64 19.04 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 120.103 -1.623 . . . . 0.0 110.314 164.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . 0.417 6.4 mm-40 -136.77 38.57 2.61 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 130.271 3.428 . . . . 0.0 116.419 -157.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.438 ' HB ' HG21 ' A' ' 28' ' ' VAL . 5.4 p -86.55 109.46 18.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 O-C-N 118.6 -2.563 . . . . 0.0 107.722 176.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.1 t -140.25 144.6 36.57 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 123.913 1.816 . . . . 0.0 113.549 -170.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -90.96 -29.9 17.15 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 126.433 1.893 . . . . 0.0 112.163 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.3 m -106.12 151.65 40.19 Favored Pre-proline 0 C--N 1.354 0.803 0 C-N-CA 127.085 2.154 . . . . 0.0 106.227 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -63.91 136.25 51.99 Favored 'Trans proline' 0 C--N 1.359 1.116 0 CA-C-N 124.061 2.486 . . . . 0.0 117.958 -164.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.57 27.27 0.6 Allowed Glycine 0 CA--C 1.496 -1.12 0 N-CA-C 104.268 -3.533 . . . . 0.0 104.268 176.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.348 0.0 OUTLIER -84.52 -10.73 57.18 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 127.721 2.409 . . . . 0.0 114.456 -167.327 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -92.41 1.39 57.27 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 129.395 3.078 . . . . 0.0 110.573 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -95.56 157.89 35.39 Favored Pre-proline 0 C--N 1.362 1.11 0 C-N-CA 126.008 1.723 . . . . 0.0 109.152 174.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -75.68 163.09 34.45 Favored 'Trans proline' 0 CA--C 1.546 1.116 0 C-N-CA 124.819 3.68 . . . . 0.0 114.734 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.441 ' CE2' ' HB3' ' A' ' 71' ' ' TRP . 4.7 m-30 -73.32 163.71 66.44 Favored Pre-proline 0 CA--C 1.56 1.352 0 C-N-CA 128.929 2.891 . . . . 0.0 114.247 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -80.96 147.57 73.78 Favored 'Cis proline' 0 C--N 1.361 1.209 0 CA-C-N 121.94 1.729 . . . . 0.0 111.362 -1.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.415 ' CE1' ' CZ3' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -173.98 167.52 4.27 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-O 121.793 0.806 . . . . 0.0 112.305 -172.004 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.4 t -137.49 125.95 33.2 Favored 'Isoleucine or valine' 0 C--N 1.371 1.514 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.288 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.567 HG22 ' CH2' ' A' ' 71' ' ' TRP . 5.2 m -117.03 152.1 18.83 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 121.039 -1.038 . . . . 0.0 110.794 174.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.2 mp -74.41 140.64 17.24 Favored 'Isoleucine or valine' 0 C--N 1.371 1.527 0 C-N-CA 126.449 1.9 . . . . 0.0 111.793 171.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.72 -177.91 36.92 Favored Glycine 0 CA--C 1.474 -2.475 0 C-N-CA 118.446 -1.835 . . . . 0.0 109.14 176.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -145.81 121.02 10.18 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 102.817 -3.031 . . . . 0.0 102.817 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.25 143.13 33.96 Favored 'General case' 0 C--N 1.366 1.306 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -174.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . 0.374 96.4 p 63.16 -112.03 0.38 Allowed 'General case' 0 C--N 1.361 1.092 0 C-N-CA 129.169 2.988 . . . . 0.0 114.979 -178.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.6 m 160.31 98.93 0.0 OUTLIER 'General case' 0 CA--C 1.505 -0.754 0 C-N-CA 128.656 2.782 . . . . 0.0 106.297 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.6 t -108.11 146.04 32.69 Favored Pre-proline 0 C--N 1.349 0.561 0 C-N-CA 125.086 1.354 . . . . 0.0 109.166 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -80.16 130.79 8.44 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 124.12 3.214 . . . . 0.0 112.602 -177.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -135.88 150.5 49.39 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.853 1.661 . . . . 0.0 108.574 178.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -122.34 152.4 40.17 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 125.718 1.607 . . . . 0.0 108.36 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.3 t -134.93 177.75 7.56 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.5 tttp 70.6 45.17 0.61 Allowed 'General case' 0 C--N 1.359 1.007 0 C-N-CA 129.126 2.97 . . . . 0.0 111.931 -176.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.6 t -169.8 -179.55 3.32 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 -177.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.2 p -71.95 59.21 0.36 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 129.293 3.037 . . . . 0.0 115.786 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -89.38 -51.19 5.69 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 128.059 2.544 . . . . 0.0 110.69 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 130.58 -169.47 21.36 Favored Glycine 0 C--N 1.352 1.446 0 N-CA-C 108.884 -1.686 . . . . 0.0 108.884 177.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -116.66 79.65 1.35 Allowed 'General case' 0 C--N 1.35 0.604 0 N-CA-C 104.608 -2.367 . . . . 0.0 104.608 177.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -125.99 138.41 53.74 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-O 123.625 1.679 . . . . 0.0 110.469 -176.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.565 HD12 ' HB3' ' A' ' 7' ' ' SER . 0.2 OUTLIER -124.14 135.52 63.37 Favored 'Isoleucine or valine' 0 C--N 1.361 1.081 0 N-CA-C 104.032 -2.581 . . . . 0.0 104.032 -177.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 91.1 m -130.01 120.63 25.06 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 66.6 mmm -147.0 151.34 36.8 Favored 'General case' 0 C--N 1.363 1.17 0 CA-C-N 121.186 1.812 . . . . 0.0 111.112 -176.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.85 163.64 17.22 Favored 'General case' 0 C--N 1.363 1.192 0 CA-C-O 124.576 2.131 . . . . 0.0 110.937 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.297 0.0 OUTLIER -142.51 140.22 31.75 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 102.65 -3.092 . . . . 0.0 102.65 173.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -112.49 118.1 34.21 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 101.654 -3.462 . . . . 0.0 101.654 -176.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.1 t -118.6 111.94 35.93 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.27 0 N-CA-C 105.265 -2.124 . . . . 0.0 105.265 -167.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.567 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -130.26 139.15 50.79 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 117.778 -1.569 . . . . 0.0 109.492 -176.4 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -140.51 171.04 24.18 Favored Glycine 0 CA--C 1.484 -1.849 0 N-CA-C 107.892 -2.083 . . . . 0.0 107.892 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -114.71 -150.41 10.0 Favored Glycine 0 C--N 1.355 1.613 0 C-N-CA 124.98 1.276 . . . . 0.0 111.192 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . 0.26 31.1 m 73.2 -67.92 0.25 Allowed 'General case' 0 C--N 1.36 1.046 0 C-N-CA 128.317 2.647 . . . . 0.0 115.468 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.7 m -157.47 155.3 30.16 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 -176.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.33 -35.17 50.11 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 130.784 3.634 . . . . 0.0 114.878 177.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.28 -35.39 73.67 Favored 'General case' 0 C--N 1.362 1.121 0 C-N-CA 129.918 3.287 . . . . 0.0 115.215 173.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -69.99 -33.49 72.12 Favored 'General case' 0 C--N 1.371 1.508 0 C-N-CA 126.558 1.943 . . . . 0.0 113.913 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.457 ' HA ' HG12 ' A' ' 82' ' ' ILE . . . -61.89 -29.97 70.56 Favored 'General case' 0 C--N 1.366 1.294 0 C-N-CA 129.753 3.221 . . . . 0.0 114.652 175.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -77.12 -37.91 53.21 Favored 'General case' 0 C--N 1.363 1.196 0 C-N-CA 127.685 2.394 . . . . 0.0 111.138 174.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.17 -50.98 59.19 Favored 'General case' 0 C--N 1.37 1.497 0 C-N-CA 127.336 2.254 . . . . 0.0 111.953 173.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.457 HG12 ' HA ' ' A' ' 79' ' ' ALA 0.33 40.7 pt -61.6 -37.61 78.3 Favored 'Isoleucine or valine' 0 C--N 1.375 1.702 0 C-N-CA 125.045 1.338 . . . . 0.0 114.546 175.329 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . 0.25 15.6 p -68.13 -39.78 82.63 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 126.171 1.788 . . . . 0.0 112.734 173.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 t -67.76 -42.26 82.05 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 127.83 2.452 . . . . 0.0 112.831 173.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -63.79 -34.53 78.12 Favored 'General case' 0 C--N 1.374 1.631 0 C-N-CA 126.378 1.871 . . . . 0.0 112.627 172.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.252 4.7 t -64.05 -49.49 81.32 Favored 'Isoleucine or valine' 0 C--N 1.387 2.198 0 C-N-CA 125.199 1.399 . . . . 0.0 112.396 166.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.02 -48.19 74.78 Favored 'General case' 0 C--N 1.378 1.824 0 CA-C-N 123.324 2.784 . . . . 0.0 114.27 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 30.8 tt0 -59.65 -34.89 73.39 Favored 'General case' 0 C--N 1.374 1.643 0 C-N-CA 127.339 2.256 . . . . 0.0 112.517 174.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.57 -45.7 78.42 Favored 'General case' 0 C--N 1.38 1.893 0 C-N-CA 125.532 1.533 . . . . 0.0 114.017 167.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . 0.259 33.9 mt -49.09 -45.57 43.44 Favored 'General case' 0 C--N 1.396 2.611 0 C-N-CA 127.681 2.392 . . . . 0.0 114.744 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.591 0.2 OUTLIER -103.19 10.27 37.86 Favored 'General case' 0 C--N 1.365 1.244 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 171.206 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.407 ' HB3' ' O ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -78.29 -45.64 22.22 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 119.304 -2.122 . . . . 0.0 109.12 175.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.02 101.74 47.16 Favored Pre-proline 0 C--N 1.356 0.867 0 N-CA-C 102.113 -3.292 . . . . 0.0 102.113 175.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.69 157.55 58.26 Favored 'Trans proline' 0 C--N 1.36 1.149 0 C-N-CA 124.028 3.152 . . . . 0.0 115.059 -170.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.6 mt -71.31 107.4 4.26 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 126.977 2.111 . . . . 0.0 115.717 -172.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 46.5 ttp -145.16 139.3 27.16 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 126.102 1.761 . . . . 0.0 108.435 176.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -134.77 108.17 7.82 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 178.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 71.53 22.32 4.17 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 130.036 3.334 . . . . 0.0 115.368 173.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 101.15 -5.75 56.01 Favored Glycine 0 C--N 1.353 1.495 0 C-N-CA 126.035 1.779 . . . . 0.0 112.013 -174.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -96.71 126.09 41.63 Favored 'General case' 0 C--N 1.361 1.072 0 CA-C-N 118.437 1.118 . . . . 0.0 109.364 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.2 p -93.44 153.03 18.72 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 127.354 2.261 . . . . 0.0 113.078 -175.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -136.29 139.2 42.48 Favored 'General case' 0 C--N 1.361 1.102 0 N-CA-C 105.928 -1.878 . . . . 0.0 105.928 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.3 t -107.09 115.88 49.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 C-N-CA 126.24 1.816 . . . . 0.0 108.762 -173.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.2 138.72 35.8 Favored 'General case' 0 C--N 1.367 1.347 0 N-CA-C 117.507 2.41 . . . . 0.0 117.507 -172.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -122.47 143.0 49.97 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 129.859 3.264 . . . . 0.0 107.131 177.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.1 tptm 83.35 130.49 0.05 OUTLIER 'General case' 0 C--N 1.366 1.291 0 C-N-CA 127.37 2.268 . . . . 0.0 116.882 174.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 97.6 mt -109.42 141.93 41.11 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 104.433 -2.432 . . . . 0.0 104.433 171.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.414 HG21 HG23 ' A' ' 125' ' ' ILE . 22.5 t -87.38 133.7 29.56 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 C-N-CA 124.474 1.11 . . . . 0.0 112.31 -174.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.9 mt -100.97 143.1 31.52 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 126.27 1.828 . . . . 0.0 109.372 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.41 69.89 1.96 Allowed 'General case' 0 C--N 1.356 0.851 0 C-N-CA 124.672 1.189 . . . . 0.0 112.355 -177.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -107.18 62.93 0.62 Allowed 'General case' 0 C--N 1.356 0.877 0 O-C-N 120.041 -1.662 . . . . 0.0 109.474 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.7 m -127.36 138.91 53.4 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 C-N-CA 129.089 2.956 . . . . 0.0 105.232 178.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.5 mt -107.87 149.36 11.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 C-N-CA 126.755 2.022 . . . . 0.0 110.592 -174.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 86.7 m -81.45 141.89 33.46 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 129.325 3.05 . . . . 0.0 110.781 176.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -95.29 141.02 29.37 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 125.528 1.531 . . . . 0.0 112.728 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.19 -22.72 0.42 Allowed 'General case' 0 C--N 1.367 1.346 1 C-N-CA 133.574 4.749 . . . . 0.0 118.557 -178.086 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -90.11 -13.69 35.24 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 127.232 2.213 . . . . 0.0 114.1 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.76 47.67 4.44 Favored Glycine 0 C--N 1.368 2.343 0 CA-C-N 120.66 1.573 . . . . 0.0 114.231 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 42.5 t -80.96 148.42 5.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 C-N-CA 127.549 2.339 . . . . 0.0 112.37 -176.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.0 p -61.68 131.97 51.71 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 129.28 3.032 . . . . 0.0 112.274 174.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -93.28 141.23 28.67 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 122.794 1.283 . . . . 0.0 113.749 -171.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -133.88 150.38 51.36 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 126.384 1.873 . . . . 0.0 110.167 -175.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -122.32 140.65 13.62 Favored Glycine 0 C--N 1.353 1.492 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 171.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.23 117.86 52.78 Favored 'Isoleucine or valine' 0 C--N 1.367 1.34 0 N-CA-C 103.568 -2.753 . . . . 0.0 103.568 172.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.414 HG23 HG21 ' A' ' 108' ' ' VAL . 15.3 mm -112.74 117.89 56.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 CA-C-N 114.507 -1.224 . . . . 0.0 108.106 -170.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -116.73 140.14 49.76 Favored 'General case' 0 C--N 1.37 1.485 0 CA-C-O 121.325 0.583 . . . . 0.0 109.907 175.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -136.0 157.56 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 169.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . 0.273 24.9 ttt180 -134.49 141.59 46.79 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 126.707 2.003 . . . . 0.0 110.209 174.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.455 ' CE2' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -133.38 144.38 49.53 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 104.643 -2.355 . . . . 0.0 104.643 -175.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 88.3 m -134.89 142.98 46.71 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 126.667 1.987 . . . . 0.0 106.465 -174.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 9.7 tp -120.08 136.29 57.63 Favored 'Isoleucine or valine' 0 C--N 1.363 1.159 0 O-C-N 119.909 -1.744 . . . . 0.0 108.427 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -149.88 178.31 9.02 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -80.29 85.68 5.77 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 126.216 1.806 . . . . 0.0 112.954 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . 0.267 0.4 OUTLIER 89.07 47.5 0.01 OUTLIER 'General case' 0 C--N 1.355 0.806 0 C-N-CA 128.043 2.537 . . . . 0.0 113.207 173.193 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 8.9 t -102.22 129.62 48.67 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 120.726 -1.234 . . . . 0.0 108.214 172.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.519 0 N-CA-C 108.268 -1.933 . . . . 0.0 108.268 -178.921 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 . . . . . 0 N--CA 1.44 -0.945 0 CA-C-O 121.946 0.879 . . . . 0.0 109.075 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -85.92 2.05 87.8 Favored Glycine 0 C--N 1.359 1.829 0 C-N-CA 125.759 1.647 . . . . 0.0 114.388 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -89.9 59.72 4.69 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 128.205 2.602 . . . . 0.0 111.002 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -110.3 -108.53 0.34 Allowed 'General case' 0 C--N 1.359 0.996 0 C-N-CA 127.49 2.316 . . . . 0.0 109.737 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.8 t -169.98 178.77 3.83 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 102.261 -3.237 . . . . 0.0 102.261 177.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -154.07 164.44 38.48 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 -175.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -112.86 90.22 3.29 Favored 'General case' 0 C--N 1.36 1.049 0 N-CA-C 102.238 -3.245 . . . . 0.0 102.238 174.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.6 tp -56.92 -51.27 69.78 Favored 'General case' 0 C--N 1.369 1.436 0 N-CA-C 120.054 3.353 . . . . 0.0 120.054 -163.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.26 -51.43 37.53 Favored 'General case' 0 C--N 1.367 1.341 0 CA-C-N 122.073 2.215 . . . . 0.0 113.146 174.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.401 ' HB3' HG13 ' A' ' 64' ' ' ILE . 8.5 m -58.5 -48.65 80.1 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 129.399 3.08 . . . . 0.0 117.469 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.523 9.2 tpt180 -73.9 -37.84 64.55 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.279 2.231 . . . . 0.0 114.146 172.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.296 . . -58.51 -22.68 55.97 Favored 'General case' 0 C--N 1.367 1.354 0 O-C-N 117.965 -2.959 . . . . 0.0 115.383 170.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.483 HD22 ' CG ' ' A' ' 102' ' ' PHE 0.319 0.4 OUTLIER -63.62 -28.71 70.1 Favored 'General case' 0 C--N 1.377 1.772 0 O-C-N 120.414 -1.429 . . . . 0.0 114.776 161.059 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.291 1.0 OUTLIER -67.95 -38.23 82.55 Favored 'General case' 0 C--N 1.383 2.038 0 O-C-N 118.619 -2.551 . . . . 0.0 109.858 174.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -66.01 -29.76 70.19 Favored 'General case' 0 C--N 1.368 1.397 0 CA-C-N 113.609 -1.632 . . . . 0.0 113.898 166.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.26 -42.73 79.2 Favored 'General case' 0 C--N 1.37 1.484 0 C-N-CA 125.562 1.545 . . . . 0.0 111.978 168.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.3 p -57.25 -41.79 80.31 Favored 'General case' 0 C--N 1.382 2.015 0 C-N-CA 126.124 1.77 . . . . 0.0 111.918 172.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -69.74 -33.8 57.96 Favored 'Isoleucine or valine' 0 C--N 1.369 1.428 0 CA-C-N 114.676 -1.147 . . . . 0.0 114.063 176.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -71.42 -29.93 65.48 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 170.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.444 ' OD1' ' HG2' ' A' ' 93' ' ' LYS . 8.6 m-20 -69.71 -39.14 77.05 Favored 'General case' 0 C--N 1.372 1.547 0 O-C-N 120.312 -1.492 . . . . 0.0 112.118 171.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.72 -46.28 88.86 Favored 'General case' 0 C--N 1.373 1.623 0 C-N-CA 126.78 2.032 . . . . 0.0 112.45 172.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.261 0.0 OUTLIER -69.13 -25.38 64.36 Favored 'General case' 0 C--N 1.363 1.167 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 172.66 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.548 ' HB2' ' HD3' ' A' ' 93' ' ' LYS . 14.1 m -84.68 -21.84 30.02 Favored 'General case' 0 C--N 1.385 2.111 0 CA-C-N 120.023 1.283 . . . . 0.0 114.214 177.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.513 ' CD2' ' HB2' ' A' ' 89' ' ' ALA . 43.4 t80 -75.8 98.08 4.06 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.425 ' HG3' ' HD3' ' A' ' 23' ' ' PRO 0.314 6.6 pt20 -42.36 -44.39 8.99 Favored Pre-proline 0 C--N 1.369 1.439 0 N-CA-C 118.567 2.803 . . . . 0.0 118.567 178.729 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.425 ' HD3' ' HG3' ' A' ' 22' ' ' GLN . 16.7 Cg_exo -65.4 -21.95 60.21 Favored 'Trans proline' 0 C--N 1.363 1.333 0 C-N-CA 124.703 3.602 . . . . 0.0 116.264 170.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.403 HD23 ' HB2' ' A' ' 89' ' ' ALA 0.405 3.4 pp -86.89 -18.28 31.22 Favored 'General case' 0 C--N 1.382 2.02 0 CA-C-N 124.342 3.247 . . . . 0.0 113.269 176.685 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 84.7 mmm -67.19 -28.61 68.24 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 127.237 2.215 . . . . 0.0 115.0 174.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -78.07 -25.64 47.77 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 127.158 2.183 . . . . 0.0 112.9 177.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 48.3 tpp -102.79 -40.15 6.69 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 125.21 1.404 . . . . 0.0 114.6 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.435 HG13 HH12 ' A' ' 85' ' ' ARG . 11.4 m -121.61 142.66 36.93 Favored 'Isoleucine or valine' 0 C--N 1.372 1.566 0 O-C-N 117.923 -2.986 . . . . 0.0 107.171 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -102.63 -36.61 8.28 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-O 125.722 2.677 . . . . 0.0 111.83 -178.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -98.24 37.06 1.49 Allowed 'General case' 0 N--CA 1.435 -1.207 1 C-N-CA 136.275 5.83 . . . . 0.0 111.159 -172.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 31' ' ' VAL . 1.1 p -87.93 106.52 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.159 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 172.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.9 t -146.45 168.73 20.46 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-O 123.082 1.42 . . . . 0.0 113.612 -165.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -98.78 -16.51 18.89 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 127.802 2.441 . . . . 0.0 113.137 178.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.6 m -174.4 -68.6 0.0 OUTLIER Pre-proline 0 C--N 1.36 1.046 0 CA-C-O 116.89 -1.529 . . . . 0.0 110.603 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -73.13 137.2 25.88 Favored 'Trans proline' 0 C--N 1.363 1.326 0 CA-C-N 126.84 3.479 . . . . 0.0 112.451 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.43 12.32 38.93 Favored Glycine 0 C--N 1.356 1.689 0 O-C-N 120.665 -1.272 . . . . 0.0 111.83 -174.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -23.38 29.85 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 128.011 2.524 . . . . 0.0 116.31 -176.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -105.89 15.43 26.63 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 127.647 2.379 . . . . 0.0 110.014 -177.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -89.84 164.9 26.91 Favored Pre-proline 0 C--N 1.359 1.009 0 C-N-CA 125.851 1.66 . . . . 0.0 110.675 177.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -74.6 155.4 44.9 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 124.178 3.252 . . . . 0.0 115.142 -175.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -68.59 142.22 93.86 Favored Pre-proline 0 C--N 1.362 1.123 0 C-N-CA 129.042 2.937 . . . . 0.0 114.397 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -85.7 148.53 44.46 Favored 'Cis proline' 0 CA--C 1.546 1.082 0 CA-C-N 122.422 1.901 . . . . 0.0 115.329 5.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -168.35 167.85 11.72 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 124.993 1.317 . . . . 0.0 113.458 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.434 HG22 HG23 ' A' ' 70' ' ' VAL . 44.7 t -132.21 131.7 60.93 Favored 'Isoleucine or valine' 0 C--N 1.395 2.554 0 O-C-N 121.09 -1.007 . . . . 0.0 110.504 179.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.419 HG22 ' CH2' ' A' ' 71' ' ' TRP . 25.3 m -121.92 151.72 25.59 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 O-C-N 119.817 -1.802 . . . . 0.0 109.955 177.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.6 mt -82.68 139.9 17.15 Favored 'Isoleucine or valine' 0 C--N 1.368 1.39 0 C-N-CA 125.481 1.512 . . . . 0.0 107.871 165.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.84 -152.59 6.11 Favored Glycine 0 N--CA 1.441 -0.997 0 N-CA-C 106.234 -2.746 . . . . 0.0 106.234 174.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -146.86 151.9 37.83 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 176.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -94.85 153.72 17.58 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 125.744 1.617 . . . . 0.0 108.664 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.2 m -69.25 68.11 0.19 Allowed 'General case' 0 C--N 1.356 0.86 0 N-CA-C 117.046 2.239 . . . . 0.0 117.046 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.3 m -81.44 23.6 0.61 Allowed 'General case' 0 C--N 1.363 1.183 0 C-N-CA 127.116 2.166 . . . . 0.0 114.968 -178.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.337 1.5 t -74.27 -34.94 2.09 Favored Pre-proline 0 C--N 1.361 1.088 0 CA-C-O 114.69 -2.576 . . . . 0.0 116.078 179.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -87.99 114.09 0.86 Allowed 'Trans proline' 0 C--N 1.368 1.571 0 CA-C-N 127.296 3.641 . . . . 0.0 108.991 170.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -127.65 150.12 49.89 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 120.495 -1.378 . . . . 0.0 112.581 -173.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -117.44 -64.45 1.3 Allowed 'General case' 0 C--N 1.357 0.933 0 C-N-CA 125.199 1.399 . . . . 0.0 109.869 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 p -122.43 139.25 54.07 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 125.813 1.645 . . . . 0.0 108.364 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . 0.312 40.5 tptt 85.4 34.86 0.03 OUTLIER 'General case' 0 C--N 1.364 1.207 0 C-N-CA 128.486 2.714 . . . . 0.0 114.735 178.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.9 p -92.94 54.61 2.21 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 127.987 2.515 . . . . 0.0 110.446 177.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.6 p -123.76 112.62 17.55 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 128.1 2.56 . . . . 0.0 107.507 -176.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -102.06 140.11 36.79 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 126.063 1.745 . . . . 0.0 113.689 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 156.92 -44.67 0.51 Allowed Glycine 0 C--N 1.358 1.751 0 O-C-N 121.611 -0.68 . . . . 0.0 112.515 176.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -135.02 61.4 1.67 Allowed 'General case' 0 C--N 1.361 1.066 0 C-N-CA 125.259 1.424 . . . . 0.0 107.95 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -139.82 127.53 21.84 Favored 'General case' 0 C--N 1.352 0.693 0 O-C-N 120.609 -1.307 . . . . 0.0 111.609 -173.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.401 HG13 ' HB3' ' A' ' 7' ' ' SER . 0.2 OUTLIER -108.37 125.05 65.16 Favored 'Isoleucine or valine' 0 C--N 1.366 1.301 0 C-N-CA 128.925 2.89 . . . . 0.0 103.818 177.686 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 p -130.41 124.48 32.23 Favored 'General case' 0 C--N 1.356 0.888 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.3 ptm -145.63 157.73 43.93 Favored 'General case' 0 C--N 1.366 1.324 0 O-C-N 121.239 -0.913 . . . . 0.0 111.83 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -134.41 143.17 47.42 Favored 'General case' 0 C--N 1.369 1.42 0 CA-C-O 122.197 0.999 . . . . 0.0 109.239 172.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.25 0.1 OUTLIER -120.9 130.36 53.86 Favored 'General case' 0 CA--C 1.559 1.296 0 N-CA-C 102.424 -3.176 . . . . 0.0 102.424 169.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -113.32 121.03 43.16 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 127.367 2.267 . . . . 0.0 106.305 -174.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.434 HG23 HG22 ' A' ' 44' ' ' VAL . 2.8 p -119.72 120.52 63.63 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.93 0 C-N-CA 126.266 1.826 . . . . 0.0 107.454 -170.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.419 ' CH2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -134.97 138.37 43.95 Favored 'General case' 0 C--N 1.37 1.461 0 C-N-CA 117.523 -1.671 . . . . 0.0 109.818 -178.865 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -138.75 90.29 0.2 Allowed Glycine 0 C--N 1.356 1.689 0 N-CA-C 107.528 -2.229 . . . . 0.0 107.528 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.71 45.26 3.37 Favored Glycine 0 C--N 1.359 1.86 0 C-N-CA 126.534 2.016 . . . . 0.0 115.673 -176.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.3 m -105.8 -48.07 3.73 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 128.0 2.52 . . . . 0.0 111.838 -177.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.3 m -163.38 153.74 15.88 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 104.181 -2.525 . . . . 0.0 104.181 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.529 ' H ' ' HD2' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -57.4 -34.61 69.07 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 130.796 3.638 . . . . 0.0 115.231 177.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.83 -35.65 81.8 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 126.945 2.098 . . . . 0.0 114.357 173.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.99 -33.52 74.47 Favored 'General case' 0 C--N 1.371 1.522 0 C-N-CA 127.919 2.488 . . . . 0.0 113.756 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.418 ' HA ' HG12 ' A' ' 82' ' ' ILE . . . -63.1 -32.41 73.78 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 126.689 1.996 . . . . 0.0 114.541 175.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -73.63 -42.45 61.43 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 128.417 2.687 . . . . 0.0 111.137 174.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -67.06 -50.87 60.39 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 127.864 2.466 . . . . 0.0 112.871 176.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.418 HG12 ' HA ' ' A' ' 79' ' ' ALA 0.355 19.6 pt -62.11 -37.02 77.4 Favored 'Isoleucine or valine' 0 C--N 1.373 1.62 0 C-N-CA 125.857 1.663 . . . . 0.0 114.851 175.398 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.1 t -62.45 -50.72 70.34 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 127.601 2.361 . . . . 0.0 112.698 169.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.2 m -61.04 -42.0 97.65 Favored 'General case' 0 C--N 1.37 1.498 0 C-N-CA 127.734 2.414 . . . . 0.0 112.553 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.435 HH12 HG13 ' A' ' 28' ' ' VAL . 22.9 ttp180 -66.31 -46.91 75.27 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 129.365 3.066 . . . . 0.0 112.92 173.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . 0.426 3.5 p -70.31 -40.8 78.27 Favored 'Isoleucine or valine' 0 C--N 1.37 1.495 0 O-C-N 119.568 -1.957 . . . . 0.0 116.051 175.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.411 1.5 pp -68.8 -33.18 73.42 Favored 'General case' 0 C--N 1.382 1.999 0 O-C-N 119.063 -2.273 . . . . 0.0 113.862 172.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -63.51 -47.2 82.68 Favored 'General case' 0 C--N 1.377 1.77 0 CA-C-O 116.774 -1.584 . . . . 0.0 111.994 170.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.513 ' HB2' ' CD2' ' A' ' 21' ' ' TYR . . . -54.45 -47.88 72.39 Favored 'General case' 0 C--N 1.375 1.712 0 C-N-CA 126.892 2.077 . . . . 0.0 115.636 169.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.6 mt -55.89 -38.69 70.51 Favored 'General case' 0 C--N 1.379 1.853 0 C-N-CA 126.805 2.042 . . . . 0.0 115.673 176.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . 0.576 0.2 OUTLIER -107.85 10.35 28.63 Favored 'General case' 0 C--N 1.368 1.406 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 169.094 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -47.21 22.23 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 124.281 1.991 . . . . 0.0 107.247 177.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.548 ' HD3' ' HB2' ' A' ' 20' ' ' SER . 16.3 tttm -118.81 123.43 29.05 Favored Pre-proline 0 N--CA 1.429 -1.5 0 N-CA-C 102.043 -3.317 . . . . 0.0 102.043 176.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.4 151.36 25.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 124.217 3.278 . . . . 0.0 111.192 -175.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.37 106.64 18.38 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-O 124.443 2.068 . . . . 0.0 108.711 178.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 61.9 ttp -143.28 141.66 31.09 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 102.899 -3.0 . . . . 0.0 102.899 -175.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -127.98 113.31 15.67 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.021 1.329 . . . . 0.0 107.599 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 67.82 12.85 9.02 Favored 'General case' 0 C--N 1.362 1.118 0 C-N-CA 130.328 3.451 . . . . 0.0 115.797 175.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.15 -2.21 35.2 Favored Glycine 0 C--N 1.352 1.418 0 C-N-CA 126.204 1.859 . . . . 0.0 111.614 -171.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -90.49 124.32 34.9 Favored 'General case' 0 C--N 1.368 1.402 0 CA-C-N 119.262 1.531 . . . . 0.0 110.977 -178.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.1 m -108.8 153.83 22.93 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 125.11 1.364 . . . . 0.0 110.227 -176.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.483 ' CG ' HD22 ' A' ' 10' ' ' LEU . 10.7 m-85 -131.0 156.18 45.57 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 125.62 1.568 . . . . 0.0 107.189 -173.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.8 t -106.54 119.98 56.91 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 -176.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.46 115.72 20.92 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 124.282 1.033 . . . . 0.0 110.478 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -95.98 94.2 7.45 Favored 'General case' 0 C--N 1.358 0.937 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -171.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . 0.261 57.8 tttm 80.4 108.14 0.07 Allowed 'General case' 0 C--N 1.367 1.357 0 C-N-CA 128.692 2.797 . . . . 0.0 114.95 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 53.2 mt -90.99 114.56 27.1 Favored 'General case' 0 C--N 1.362 1.145 0 O-C-N 120.372 -1.455 . . . . 0.0 111.645 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . 0.342 45.4 t 79.6 80.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.229 0 C-N-CA 127.846 2.459 . . . . 0.0 111.405 -179.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 pp -103.89 23.35 13.0 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 126.686 1.994 . . . . 0.0 111.897 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -158.38 134.49 9.21 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 125.79 1.636 . . . . 0.0 106.904 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.32 120.99 39.69 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 125.659 1.584 . . . . 0.0 113.372 -178.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.1 m -109.85 127.38 66.75 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 N-CA-C 104.731 -2.322 . . . . 0.0 104.731 172.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.0 tp -129.38 167.13 25.31 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.548 0 O-C-N 120.724 -1.235 . . . . 0.0 110.904 -172.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 36.8 m -71.35 111.37 6.62 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 130.19 3.396 . . . . 0.0 111.331 176.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.08 118.32 36.24 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 125.895 1.678 . . . . 0.0 108.556 178.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.27 -20.45 61.52 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 130.092 3.357 . . . . 0.0 117.432 -177.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -76.64 -13.84 60.03 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 119.927 3.306 . . . . 0.0 119.927 -172.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.56 46.71 4.82 Favored Glycine 0 C--N 1.363 2.051 0 CA-C-N 120.78 1.627 . . . . 0.0 114.685 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 6.7 p -100.59 148.22 7.09 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 C-N-CA 126.406 1.882 . . . . 0.0 108.322 177.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.4 m -70.23 119.04 13.82 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 126.183 1.793 . . . . 0.0 110.511 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -93.02 139.41 30.56 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 123.095 1.426 . . . . 0.0 114.295 -171.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -123.1 148.2 45.93 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 129.281 3.032 . . . . 0.0 108.101 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -119.17 123.26 5.6 Favored Glycine 0 C--N 1.364 2.114 0 N-CA-C 105.823 -2.911 . . . . 0.0 105.823 172.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 20.3 tt -117.59 115.77 49.68 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 N-CA-C 103.85 -2.648 . . . . 0.0 103.85 178.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 48.5 mt -119.54 118.83 58.6 Favored 'Isoleucine or valine' 0 C--N 1.364 1.239 0 N-CA-C 106.071 -1.825 . . . . 0.0 106.071 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.4 tttp -107.1 139.52 41.39 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 173.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 62.0 t -126.5 141.1 46.95 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 169.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -112.88 133.94 54.62 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 128.385 2.674 . . . . 0.0 105.254 173.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -130.11 125.57 35.45 Favored 'General case' 0 CA--C 1.5 -0.98 0 N-CA-C 102.557 -3.127 . . . . 0.0 102.557 -177.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 37.3 m -120.62 141.04 50.71 Favored 'General case' 0 C--N 1.343 0.295 0 N-CA-C 105.173 -2.158 . . . . 0.0 105.173 -177.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.1 pt -129.12 138.72 53.74 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.898 0 N-CA-C 104.277 -2.49 . . . . 0.0 104.277 178.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -93.61 -118.89 0.09 Allowed 'General case' 0 C--N 1.36 1.046 0 CA-C-N 119.598 1.09 . . . . 0.0 112.728 -175.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.75 104.36 3.72 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 120.182 -1.573 . . . . 0.0 107.026 -178.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -120.62 57.56 0.96 Allowed 'General case' 0 C--N 1.357 0.914 0 N-CA-C 106.363 -1.718 . . . . 0.0 106.363 174.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 11.4 t -117.6 155.35 29.99 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 125.804 1.641 . . . . 0.0 108.932 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.635 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 -179.761 . . . . . . . . 0 0 . 1 stop_ save_