data_1kbh_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 1kbh _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 ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 119.063 -0.494 . . . . 10.0 110.397 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.422 ' HE ' ' CG ' ' A' ' 11' ' ' ASP . 7.5 tpm_? -63.1 -56.21 18.82 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 118.74 -0.647 . . . . 10.0 110.774 173.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.42 85.44 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.304 -0.855 . . . . 10.0 112.777 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . 0.337 0.0 OUTLIER -77.21 -32.43 55.95 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 119.297 0.953 . . . . 10.0 111.733 178.535 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.3 tp -60.82 -48.68 80.69 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.822 1.249 . . . . 10.0 110.706 169.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.422 ' CG ' ' HE ' ' A' ' 7' ' ' ARG . 34.2 m-20 -55.4 -54.15 47.25 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.923 0.889 . . . . 10.0 112.53 178.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -65.28 -32.64 74.4 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.902 -0.57 . . . . 10.0 111.443 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 tp -73.86 -42.48 60.73 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-O 117.621 -1.18 . . . . 10.0 111.369 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -72.32 -25.78 61.69 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.459 1.482 . . . . 10.0 111.37 175.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.4 m -65.22 -50.66 65.01 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-O 118.201 -0.904 . . . . 10.0 110.567 170.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 tp -51.2 -57.93 7.48 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.947 1.248 . . . . 10.0 110.352 170.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tp -70.81 0.17 7.73 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.883 1.273 . . . . 10.0 113.894 -171.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.484 ' C ' ' H ' ' A' ' 20' ' ' THR . 52.2 p -143.9 21.85 1.77 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.271 1.212 . . . . 10.0 114.271 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -57.42 4.72 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 129.591 3.156 . . . . 10.0 116.66 -173.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.484 ' H ' ' C ' ' A' ' 18' ' ' SER . 5.2 p 130.32 -85.04 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.415 1 C-N-CA 136.447 5.899 . . . . 10.0 103.096 -169.463 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -151.35 -173.77 4.61 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.789 1.177 . . . . 10.0 112.382 -176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.24 139.52 9.59 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 128.339 2.656 . . . . 10.0 106.756 168.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.0 t -55.53 -19.82 11.1 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 118.266 2.691 . . . . 10.0 118.266 -168.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.06 -14.59 24.21 Favored Glycine 0 CA--C 1.533 1.213 0 CA-C-N 119.843 1.201 . . . . 10.0 113.83 169.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 tp -53.71 -26.04 21.23 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 126.313 1.845 . . . . 10.0 114.028 170.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -57.25 -46.19 83.25 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.671 0.668 . . . . 10.0 111.589 169.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -65.39 -46.98 77.93 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 118.457 -0.782 . . . . 10.0 110.535 175.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.2 mm -57.15 -38.7 62.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 118.634 0.652 . . . . 10.0 110.825 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -65.99 -54.14 29.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.153 0.981 . . . . 10.0 111.291 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.1 ptt85 -66.25 -30.59 71.06 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.079 -1.013 . . . . 10.0 113.635 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.54 -19.92 62.67 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.761 1.164 . . . . 10.0 113.088 169.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.6 mt -110.38 13.13 22.92 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.417 1.887 . . . . 10.0 112.142 174.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.54 12.74 41.66 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.557 1.551 . . . . 10.0 115.514 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.282 42.1 mt -53.23 -48.0 93.92 Favored Pre-proline 0 N--CA 1.468 0.458 0 CA-C-O 117.052 -1.451 . . . . 10.0 113.703 -169.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -56.35 -20.35 32.09 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.998 2.465 . . . . 10.0 116.248 172.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -83.88 -45.83 12.8 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.313 1.045 . . . . 10.0 109.48 169.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.0 mt -54.41 -27.24 35.52 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.55 1.14 . . . . 10.0 113.142 175.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 N--CA 1.478 0.941 0 C-N-CA 125.482 1.513 . . . . 10.0 110.745 169.687 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.456 0 N-CA-C 103.56 -2.756 . . . . 10.0 103.56 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . 0.455 ' H ' HD12 ' B' ' 52' ' ' ILE . 2.5 mp -90.52 -27.13 5.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 123.705 0.802 . . . . 10.0 110.643 -171.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 2.3 p -101.54 12.45 0.06 OUTLIER Pre-proline 0 CA--C 1.553 1.096 0 C-N-CA 127.561 2.344 . . . . 10.0 116.999 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -68.7 -13.26 36.69 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 124.046 3.164 . . . . 10.0 113.148 -172.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 12.8 p -86.4 -49.39 7.67 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.983 1.713 . . . . 10.0 110.971 169.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.24 -24.73 56.67 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.921 1.689 . . . . 10.0 112.068 170.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 48.7 tp -54.84 -30.08 56.66 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 125.652 1.581 . . . . 10.0 111.108 169.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -90.91 -58.77 2.36 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 169.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.2 -37.68 45.0 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 118.43 2.752 . . . . 10.0 118.43 -168.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.9 tp -76.08 -34.16 59.54 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.787 1.63 . . . . 10.0 110.453 173.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 19.6 tp -58.79 -59.64 5.1 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.953 0.901 . . . . 10.0 110.183 171.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -27.61 69.52 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.848 1.203 . . . . 10.0 112.492 176.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 17.8 m -62.98 -21.3 66.03 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 114.818 1.414 . . . . 10.0 114.818 172.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.51 -22.04 8.33 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 113.813 1.042 . . . . 10.0 113.813 171.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -63.52 -41.24 98.5 Favored 'General case' 0 C--N 1.345 0.385 0 N-CA-C 108.255 -1.017 . . . . 10.0 108.255 168.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 67.1 p -80.35 111.82 25.72 Favored Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 102.959 -2.978 . . . . 10.0 102.959 166.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -52.16 150.68 18.68 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.437 2.091 . . . . 10.0 116.967 -168.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 23.8 m -61.83 23.69 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.752 2.021 . . . . 10.0 115.854 174.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -90.09 -68.12 0.11 Allowed Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 124.805 1.242 . . . . 10.0 107.707 168.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.16 -25.28 26.93 Favored 'Trans proline' 0 C--N 1.357 0.975 0 CA-C-N 121.583 1.601 . . . . 10.0 110.397 168.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -90.48 24.58 2.56 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.845 1.658 . . . . 10.0 114.635 169.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -64.91 -20.08 66.26 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 115.236 1.569 . . . . 10.0 115.236 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.436 ' NE2' ' H ' ' B' ' 73' ' ' GLN . 0.0 OUTLIER -79.85 172.86 13.22 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 123.105 1.431 . . . . 10.0 113.052 -170.506 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -55.72 1.5 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 128.609 2.763 . . . . 10.0 114.412 170.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.7 -23.99 65.3 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 120.664 1.574 . . . . 10.0 112.332 170.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.38 -54.9 19.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 N-CA-C 106.902 -1.518 . . . . 10.0 106.902 169.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -35.45 73.81 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.034 1.734 . . . . 10.0 112.032 -172.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -70.4 -29.28 65.86 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.603 1.161 . . . . 10.0 113.987 176.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 9.0 mt -90.64 -36.12 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 120.704 1.593 . . . . 10.0 111.017 172.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 mt -41.49 -50.74 3.94 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 128.635 2.774 . . . . 10.0 111.425 175.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -59.93 -19.29 51.03 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 115.486 1.661 . . . . 10.0 115.486 -175.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 75.3 p -66.32 -52.54 46.13 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.671 1.188 . . . . 10.0 113.77 -170.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -92.89 108.73 34.36 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 108.536 -0.913 . . . . 10.0 108.536 169.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -64.39 -32.58 60.46 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.754 2.303 . . . . 10.0 111.821 -174.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -70.5 -39.43 74.15 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.622 0.769 . . . . 10.0 111.146 175.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.33 -46.18 90.82 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.866 0.757 . . . . 10.0 109.642 170.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -50.23 74.28 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.844 0.747 . . . . 10.0 111.839 177.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.82 98.14 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.183 -0.948 . . . . 10.0 112.919 175.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.09 91.31 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.341 1.057 . . . . 10.0 112.055 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -57.79 -61.2 2.7 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 107.712 -1.218 . . . . 10.0 107.712 169.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 69.6 mt -55.11 -46.01 77.32 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 119.508 1.049 . . . . 10.0 111.492 -175.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -57.57 -60.05 4.26 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 124.675 1.19 . . . . 10.0 111.723 175.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -32.03 69.76 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 119.172 0.896 . . . . 10.0 111.424 -176.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -55.43 -54.04 48.71 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.723 1.601 . . . . 10.0 109.014 169.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 1.5 m -59.48 -42.8 92.91 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.639 0.375 . . . . 10.0 111.948 176.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.08 -47.5 85.03 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.16 0.984 . . . . 10.0 112.885 175.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -40.33 73.71 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 124.68 1.192 . . . . 10.0 110.619 174.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -68.22 -53.31 25.69 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 117.937 -1.03 . . . . 10.0 113.061 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 30.9 m . . . . . 0 N--CA 1.48 1.06 0 CA-C-N 120.689 1.586 . . . . 10.0 111.509 178.577 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 C--O 1.212 -0.899 0 CA-C-O 116.816 -1.564 . . . . 10.0 111.955 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -35.44 69.83 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 121.387 1.903 . . . . 10.0 113.243 -176.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.07 -43.14 58.82 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.9 0.773 . . . . 10.0 111.47 174.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.06 -40.08 92.31 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.223 1.009 . . . . 10.0 110.855 176.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.4 tp -63.62 -49.33 73.73 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 130.653 3.581 . . . . 10.0 110.945 175.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -57.93 -53.35 59.2 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 123.357 0.663 . . . . 10.0 112.019 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -66.0 -34.46 78.14 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.102 0.865 . . . . 10.0 112.815 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 mt -71.46 -43.23 67.04 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 119.59 1.086 . . . . 10.0 112.788 174.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -71.28 -28.59 64.24 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 121.508 1.958 . . . . 10.0 111.191 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.2 m -63.38 -53.39 53.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 118.092 -0.956 . . . . 10.0 109.627 169.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tp -50.9 -55.8 15.36 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 119.37 0.987 . . . . 10.0 111.442 170.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 tp -73.65 -2.49 23.32 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.044 1.127 . . . . 10.0 114.044 -171.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.8 p -136.69 10.7 3.15 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -43.7 -6.42 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.021 1 C-N-CA 131.834 4.054 . . . . 10.0 120.323 -169.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.1 p 121.02 -28.57 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.422 1 C-N-CA 133.95 4.9 . . . . 10.0 112.588 -176.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -61.76 162.57 8.51 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 123.295 1.521 . . . . 10.0 113.324 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.25 -15.88 1.44 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.06 2.144 . . . . 10.0 113.201 169.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 m -47.68 -45.35 28.2 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 127.118 2.167 . . . . 10.0 116.03 -169.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -127.59 28.09 4.54 Favored Glycine 0 N--CA 1.472 1.038 0 C-N-CA 124.993 1.282 . . . . 10.0 112.538 172.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 mt -110.42 -29.88 7.91 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 124.633 1.173 . . . . 10.0 109.217 169.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.34 -40.39 59.02 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.525 2.33 . . . . 10.0 113.21 176.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -60.33 -53.17 60.78 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.378 1.471 . . . . 10.0 112.662 169.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 mm -62.14 -39.19 83.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 124.398 1.079 . . . . 10.0 110.094 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -65.67 -49.52 68.28 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.704 2.002 . . . . 10.0 110.363 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.9 ptt-85 -64.62 -38.33 90.65 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.659 1.118 . . . . 10.0 112.392 175.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.63 -19.9 52.31 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 119.245 0.93 . . . . 10.0 113.321 173.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.0 mt -112.89 13.52 19.63 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.968 1.707 . . . . 10.0 112.548 175.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.88 11.57 44.45 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 126.384 1.945 . . . . 10.0 115.784 177.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.25 35.7 mt -52.08 -45.33 93.55 Favored Pre-proline 0 N--CA 1.472 0.63 0 CA-C-O 117.245 -1.36 . . . . 10.0 113.621 -169.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -57.75 -24.17 62.08 Favored 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 122.649 2.232 . . . . 10.0 116.007 174.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -79.12 -35.05 42.8 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 120.07 1.304 . . . . 10.0 111.324 170.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.95 -40.9 90.57 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.465 -0.772 . . . . 10.0 110.251 169.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 N--CA 1.477 0.879 0 C-N-CA 126.158 1.783 . . . . 10.0 111.598 172.049 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.442 -0.86 0 N-CA-C 105.918 -1.882 . . . . 10.0 105.918 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -90.88 -10.07 10.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 123.566 0.747 . . . . 10.0 112.726 -170.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 61.9 p -103.91 0.74 0.1 OUTLIER Pre-proline 0 CA--C 1.546 0.816 0 N-CA-C 118.973 2.953 . . . . 10.0 118.973 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -64.93 -19.45 63.99 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 CA-C-N 124.82 2.757 . . . . 10.0 114.655 -172.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 13.1 p -84.05 -47.19 11.2 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.895 0.878 . . . . 10.0 111.375 169.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.98 -30.03 63.75 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.46 1.504 . . . . 10.0 112.555 172.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 44.0 tp -56.02 -19.9 14.59 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 127.178 2.191 . . . . 10.0 112.036 170.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -104.31 -59.89 1.67 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 123.897 0.879 . . . . 10.0 108.915 168.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.15 -37.57 53.68 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 116.208 1.929 . . . . 10.0 116.208 -169.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 tp -79.94 -36.64 35.94 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 120.576 1.535 . . . . 10.0 110.113 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 23.7 tp -61.42 -50.72 71.69 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 125.262 1.425 . . . . 10.0 111.656 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 -62.66 -34.0 76.2 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.932 1.242 . . . . 10.0 112.264 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 5.1 m -64.53 -21.89 66.81 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.502 1.521 . . . . 10.0 114.502 -177.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.89 -15.92 11.19 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.986 1.106 . . . . 10.0 113.986 170.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -64.14 -41.16 97.29 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 107.513 -1.291 . . . . 10.0 107.513 167.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 10.4 p -69.54 126.04 92.36 Favored Pre-proline 0 CA--C 1.548 0.879 0 N-CA-C 104.4 -2.444 . . . . 10.0 104.4 167.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -60.24 147.93 91.76 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 N-CA-C 117.59 2.112 . . . . 10.0 117.59 -168.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 82.5 p -58.68 -10.93 2.6 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.9 2.48 . . . . 10.0 114.539 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.4 t -64.91 -67.62 1.0 Allowed Pre-proline 0 CA--C 1.544 0.736 0 CA-C-O 117.511 -1.233 . . . . 10.0 111.824 170.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.79 -26.19 27.68 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 CA-C-N 122.301 1.857 . . . . 10.0 112.634 169.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -84.73 17.92 2.58 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.634 1.346 . . . . 10.0 114.634 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -54.18 -38.72 65.9 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 128.555 2.742 . . . . 10.0 115.353 -173.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.468 ' NE2' ' H ' ' B' ' 73' ' ' GLN . 2.1 pm0 -86.69 -179.39 6.57 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.183 1.393 . . . . 10.0 114.059 -169.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -63.1 5.94 0.13 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.172 2.189 . . . . 10.0 115.322 -169.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -63.47 -23.75 67.53 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 121.103 1.774 . . . . 10.0 113.288 175.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.04 -52.09 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 107.758 -1.201 . . . . 10.0 107.758 169.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.52 -40.06 90.05 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 126.104 1.762 . . . . 10.0 111.376 -174.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -62.95 -30.48 71.6 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.894 1.278 . . . . 10.0 113.25 176.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 32.9 mt -88.53 -45.49 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 119.634 1.106 . . . . 10.0 110.458 172.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 mt -39.75 -52.14 2.32 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 128.481 2.713 . . . . 10.0 111.951 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -57.46 -20.4 30.4 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.886 1.069 . . . . 10.0 113.886 -176.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 65.6 p -80.7 -6.44 58.43 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.63 1.345 . . . . 10.0 114.63 175.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -127.45 73.19 77.84 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 119.285 0.948 . . . . 10.0 111.254 -170.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -37.94 -60.34 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 125.143 3.896 . . . . 10.0 117.286 -171.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -60.49 -41.75 94.89 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.791 0.723 . . . . 10.0 112.091 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.65 -36.51 76.14 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 123.32 0.648 . . . . 10.0 111.724 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -48.85 80.04 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.035 0.834 . . . . 10.0 111.091 171.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.36 95.7 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.486 0.584 . . . . 10.0 112.224 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.47 87.48 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-O 118.621 -0.704 . . . . 10.0 112.588 176.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -58.72 -59.5 5.32 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 117.82 -1.086 . . . . 10.0 109.465 169.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 71.6 mt -49.9 -50.46 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 CA-C-N 119.239 0.927 . . . . 10.0 111.122 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.527 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.1 OUTLIER -60.98 -60.0 4.48 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.558 0.743 . . . . 10.0 112.238 -179.626 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -34.94 78.32 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-O 117.719 -1.134 . . . . 10.0 111.283 -175.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -56.36 -50.73 70.69 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 121.435 1.925 . . . . 10.0 111.128 170.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 3.2 m -57.71 -45.86 85.16 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 122.524 0.329 . . . . 10.0 111.662 177.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.1 83.34 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.252 1.021 . . . . 10.0 113.387 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -45.43 66.85 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.359 1.464 . . . . 10.0 110.055 174.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -65.93 -55.76 15.21 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 117.247 -1.358 . . . . 10.0 112.802 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 26.0 m . . . . . 0 N--CA 1.476 0.851 0 CA-C-N 121.154 1.797 . . . . 10.0 113.692 -173.306 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 . . . . . 0 N--CA 1.47 0.554 0 CA-C-O 118.439 -0.791 . . . . 10.0 111.409 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.85 -46.92 84.09 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 113.775 1.028 . . . . 10.0 113.775 -172.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.67 90.58 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.307 0.958 . . . . 10.0 111.744 174.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.2 mt -68.66 -41.87 78.69 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.063 1.345 . . . . 10.0 110.794 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.83 -54.2 49.05 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 128.666 2.786 . . . . 10.0 110.208 170.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.418 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 78.4 m-20 -55.39 -51.01 68.23 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.624 1.17 . . . . 10.0 111.349 -178.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -66.9 -30.49 70.65 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-O 118.427 -0.796 . . . . 10.0 112.44 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mt -75.26 -45.42 40.11 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-O 117.644 -1.169 . . . . 10.0 112.546 177.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.418 ' CE1' ' HA ' ' A' ' 11' ' ' ASP . 2.1 p-80 -68.61 -26.9 65.59 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 121.279 1.854 . . . . 10.0 110.761 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.5 m -62.65 -56.09 20.91 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 117.952 -1.023 . . . . 10.0 109.595 169.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 tp -47.36 -52.82 15.43 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.775 1.17 . . . . 10.0 110.771 171.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.34 -9.24 39.24 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.486 1.514 . . . . 10.0 114.972 -176.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -143.29 13.94 1.81 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 -170.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -49.39 -6.02 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.881 1 C-N-CA 133.143 4.577 . . . . 10.0 118.888 -169.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.273 73.9 p 112.04 -16.98 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.08 1 C-N-CA 133.517 4.727 . . . . 10.0 113.557 -177.855 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -60.9 165.69 3.91 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-O 122.644 1.212 . . . . 10.0 113.177 171.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -143.95 -9.8 0.69 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.535 2.334 . . . . 10.0 114.256 169.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.3 m -47.12 -53.37 13.06 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 128.295 2.638 . . . . 10.0 116.593 -168.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.75 -10.27 11.51 Favored Glycine 0 N--CA 1.471 1.017 0 CA-C-N 118.596 0.634 . . . . 10.0 113.187 168.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.2 mt -57.49 -31.23 65.79 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.802 1.241 . . . . 10.0 111.837 169.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -42.09 -52.98 4.12 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 127.821 2.448 . . . . 10.0 115.676 173.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -59.39 -46.6 88.24 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.416 1.007 . . . . 10.0 112.483 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.4 mt -67.42 -36.4 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 124.054 0.942 . . . . 10.0 109.399 -175.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -80.2 -32.76 38.54 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 117.199 -1.381 . . . . 10.0 113.178 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 -67.85 -35.44 78.57 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 120.378 1.445 . . . . 10.0 111.02 169.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.36 -19.9 57.45 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.272 1.029 . . . . 10.0 113.759 171.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.9 mt -113.49 11.65 18.45 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.676 1.59 . . . . 10.0 112.596 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.22 8.0 53.25 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 125.171 1.367 . . . . 10.0 116.166 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.0 mt -52.38 -46.61 94.6 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 125.887 1.675 . . . . 10.0 113.08 -171.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -59.48 -38.76 81.29 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 122.671 2.247 . . . . 10.0 113.765 173.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -46.29 71.83 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 118.499 0.591 . . . . 10.0 110.792 176.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.1 mt -54.34 -41.92 69.64 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.933 0.893 . . . . 10.0 111.914 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 79.7 t . . . . . 0 N--CA 1.477 0.896 0 C-N-CA 123.711 0.804 . . . . 10.0 111.143 172.455 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 CA--C 1.529 0.152 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.93 -10.29 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.165 0.586 . . . . 10.0 112.028 -177.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 13.0 p -96.6 -3.12 0.1 Allowed Pre-proline 0 N--CA 1.474 0.76 0 N-CA-C 118.851 2.908 . . . . 10.0 118.851 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -64.79 -18.78 63.49 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 CA-C-N 125.73 3.082 . . . . 10.0 113.831 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.8 p -81.42 -53.8 6.0 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 125.038 1.335 . . . . 10.0 110.871 168.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.83 -32.7 53.79 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.889 1.275 . . . . 10.0 113.689 174.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 28.2 tp -58.1 -28.73 64.89 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 127.684 2.394 . . . . 10.0 112.388 172.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -90.25 -59.66 2.13 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.696 0.798 . . . . 10.0 109.44 169.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.81 -48.78 15.72 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 115.965 1.839 . . . . 10.0 115.965 -168.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.71 -39.67 64.15 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 120.937 -1.102 . . . . 10.0 109.304 -176.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 15.1 tp -54.98 -50.11 69.78 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 117.841 -1.076 . . . . 10.0 109.601 172.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -53.8 -51.87 62.13 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 119.94 1.245 . . . . 10.0 112.083 169.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.87 -22.43 48.06 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 127.854 2.462 . . . . 10.0 115.858 -174.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.26 -19.0 11.95 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.958 1.096 . . . . 10.0 113.958 169.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -57.04 -41.98 79.66 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 107.315 -1.365 . . . . 10.0 107.315 168.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 37.9 p -71.12 107.06 2.23 Favored Pre-proline 0 CA--C 1.544 0.713 0 N-CA-C 102.462 -3.162 . . . . 10.0 102.462 165.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.94 150.89 60.97 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 N-CA-C 117.331 2.012 . . . . 10.0 117.331 -167.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 52.7 p -49.93 -35.17 22.97 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 125.723 1.609 . . . . 10.0 114.045 -170.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.8 t -45.94 -65.85 0.6 Allowed Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 125.586 1.555 . . . . 10.0 114.477 -175.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.82 -21.9 15.8 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 122.169 1.912 . . . . 10.0 112.943 169.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -90.27 9.4 28.84 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 116.495 2.035 . . . . 10.0 116.495 -169.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -17.02 9.62 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 127.535 2.334 . . . . 10.0 116.06 -176.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -68.54 168.22 13.35 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.879 1.437 . . . . 10.0 114.879 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -7.15 0.17 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 126.009 1.724 . . . . 10.0 115.627 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -53.74 -34.65 59.59 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 120.377 1.444 . . . . 10.0 113.763 169.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.44 -52.6 31.05 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.518 0 N-CA-C 108.383 -0.969 . . . . 10.0 108.383 174.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.92 -37.36 73.93 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.509 1.124 . . . . 10.0 111.173 -174.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -58.84 -39.4 81.15 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 126.253 1.821 . . . . 10.0 113.352 174.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.6 mt -88.64 -39.41 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 123.371 0.668 . . . . 10.0 109.567 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.0 mt -42.89 -54.46 4.17 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 127.83 2.452 . . . . 10.0 111.255 170.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -61.41 -12.54 14.78 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.427 1.269 . . . . 10.0 114.427 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 52.2 p -79.94 -16.6 54.93 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.841 1.423 . . . . 10.0 114.841 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -125.9 103.65 27.21 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 108.543 -0.91 . . . . 10.0 108.543 172.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_exo -59.6 -39.37 75.28 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.313 2.676 . . . . 10.0 113.201 -174.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.8 -42.83 85.3 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.106 0.563 . . . . 10.0 110.548 178.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.87 -42.93 99.94 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.267 1.427 . . . . 10.0 110.542 174.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -52.37 65.9 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.344 0.658 . . . . 10.0 111.355 175.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.88 -42.22 99.69 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 121.876 -0.515 . . . . 10.0 111.711 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.23 -38.73 92.09 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.191 0.905 . . . . 10.0 113.148 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -56.78 -56.78 17.12 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.4 1.08 . . . . 10.0 109.738 170.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 98.2 mt -52.95 -57.65 4.16 Favored 'Isoleucine or valine' 0 C--N 1.35 0.607 0 O-C-N 124.058 0.849 . . . . 10.0 108.902 178.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -60.56 2.99 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.666 1.186 . . . . 10.0 113.005 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.83 -26.84 64.43 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-O 117.124 -1.417 . . . . 10.0 112.017 -176.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 35.9 mmm-85 -64.59 -51.21 63.93 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 120.819 1.645 . . . . 10.0 111.438 169.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.48 -40.8 79.37 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.222 0.919 . . . . 10.0 110.957 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.16 85.3 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.067 0.766 . . . . 10.0 113.067 172.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -44.48 66.54 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.227 1.411 . . . . 10.0 110.349 174.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -57.29 -60.48 3.56 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 117.385 -1.293 . . . . 10.0 111.938 174.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 114.17 1.174 . . . . 10.0 114.17 -178.772 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 pm0 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 114.806 1.41 . . . . 10.0 114.806 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.31 -35.83 82.14 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 120.166 1.348 . . . . 10.0 112.396 176.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.92 -43.7 62.1 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.862 0.865 . . . . 10.0 110.963 175.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.49 -44.57 89.45 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.34 1.056 . . . . 10.0 110.091 174.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.26 -49.38 78.05 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 128.537 2.735 . . . . 10.0 110.987 173.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -57.81 -50.88 71.8 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 118.793 0.724 . . . . 10.0 112.886 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -64.88 -38.9 92.51 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 119.913 -0.715 . . . . 10.0 111.386 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.2 mt -70.63 -41.35 72.32 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-O 116.492 -1.718 . . . . 10.0 112.356 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -70.62 -34.17 71.82 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 122.2 2.273 . . . . 10.0 110.871 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.6 m -60.25 -55.78 29.53 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 125.039 1.336 . . . . 10.0 110.794 170.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 tp -51.71 -57.52 9.0 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 118.554 0.616 . . . . 10.0 110.685 173.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tp -69.35 -9.06 51.67 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 113.299 0.851 . . . . 10.0 113.299 -169.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -134.24 5.97 3.56 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.077 1.51 . . . . 10.0 115.077 -172.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -40.1 -3.61 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.933 1 C-N-CA 135.382 5.473 . . . . 10.0 120.668 -170.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.25 81.3 p 109.95 -17.58 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.166 1 C-N-CA 133.33 4.652 . . . . 10.0 114.287 -177.793 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -62.32 163.2 8.77 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 123.47 1.605 . . . . 10.0 112.954 171.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.43 -5.24 0.66 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.41 1.884 . . . . 10.0 113.921 169.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.4 m -43.32 -58.98 2.29 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.931 2.092 . . . . 10.0 116.551 -168.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.95 -12.69 12.0 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-N 118.702 0.683 . . . . 10.0 112.105 168.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.9 mt -55.22 -29.44 57.98 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-O 117.847 -1.073 . . . . 10.0 110.89 168.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.98 -38.1 16.11 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.741 1.617 . . . . 10.0 114.582 174.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -65.44 -53.28 45.09 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.811 1.244 . . . . 10.0 111.968 169.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.4 mm -60.19 -34.83 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 124.797 1.239 . . . . 10.0 110.354 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -64.04 -57.62 9.13 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.603 1.961 . . . . 10.0 110.198 175.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.4 ptt-85 -62.19 -31.52 72.06 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 113.429 0.9 . . . . 10.0 113.429 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.5 -20.04 58.85 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.163 0.985 . . . . 10.0 113.363 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.0 mt -114.14 14.12 18.17 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.4 1.48 . . . . 10.0 112.246 172.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.3 8.07 53.89 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 116.011 1.165 . . . . 10.0 116.011 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.297 51.3 mt -47.14 -50.68 45.68 Favored Pre-proline 0 N--CA 1.475 0.813 0 CA-C-O 116.985 -1.483 . . . . 10.0 113.407 -173.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -61.4 -29.56 85.69 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 123.382 2.722 . . . . 10.0 115.179 175.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -72.71 -49.8 28.92 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.927 0.785 . . . . 10.0 110.308 172.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.1 mt -49.47 -48.35 47.79 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.765 1.226 . . . . 10.0 110.471 172.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 N--CA 1.469 0.498 0 C-N-CA 126.595 1.958 . . . . 10.0 112.886 170.511 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 N--CA 1.467 0.41 0 N-CA-C 108.576 -0.898 . . . . 10.0 108.576 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . 0.465 HD13 ' H ' ' B' ' 52' ' ' ILE . 0.2 OUTLIER -89.79 -5.22 10.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 124.872 1.269 . . . . 10.0 112.314 -172.604 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 50.7 p -124.61 5.99 0.06 OUTLIER Pre-proline 0 CA--C 1.546 0.807 0 N-CA-C 118.569 2.803 . . . . 10.0 118.569 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -67.04 -19.57 51.45 Favored 'Trans proline' 0 C--N 1.356 0.947 0 CA-C-N 124.838 2.764 . . . . 10.0 112.677 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 11.9 p -74.78 -58.4 3.31 Favored 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 125.186 1.394 . . . . 10.0 109.854 168.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.12 -29.07 43.54 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.859 1.263 . . . . 10.0 113.847 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 20.4 tp -59.71 -31.57 69.71 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 127.021 2.129 . . . . 10.0 112.326 171.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -90.91 -39.49 12.25 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.581 1.152 . . . . 10.0 111.355 171.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.24 -59.35 1.85 Allowed 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 116.751 2.13 . . . . 10.0 116.751 -170.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 tp -71.03 -32.06 68.71 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 121.693 0.758 . . . . 10.0 110.063 -174.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 36.7 tp -63.9 -54.48 34.16 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 126.022 1.729 . . . . 10.0 111.251 173.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 29.9 ptt-85 -63.77 -35.88 82.04 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 120.124 1.329 . . . . 10.0 111.007 175.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 19.4 m -54.71 -48.41 72.52 Favored 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 126.097 1.759 . . . . 10.0 112.605 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.46 -11.66 31.56 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 114.873 1.434 . . . . 10.0 114.873 174.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -38.53 82.75 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.063 -1.023 . . . . 10.0 109.182 168.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 3.8 p -75.76 114.43 36.57 Favored Pre-proline 0 CA--C 1.546 0.798 0 N-CA-C 102.709 -3.071 . . . . 10.0 102.709 166.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.66 159.77 27.09 Favored 'Trans proline' 0 C--N 1.354 0.825 0 N-CA-C 117.074 1.913 . . . . 10.0 117.074 -168.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 21.2 p -59.57 -23.6 63.04 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 113.86 -1.518 . . . . 10.0 114.414 -169.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.7 t -51.86 -66.51 0.71 Allowed Pre-proline 0 CA--C 1.549 0.927 0 CA-C-O 117.63 -1.176 . . . . 10.0 113.247 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.83 -27.81 25.67 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.197 1.931 . . . . 10.0 112.596 169.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -82.0 16.78 1.77 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.845 1.658 . . . . 10.0 114.847 -176.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -61.4 -21.79 64.4 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 128.547 2.739 . . . . 10.0 113.084 172.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -62.83 172.65 1.61 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 123.686 1.708 . . . . 10.0 112.857 177.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -8.96 19.83 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.16 1.384 . . . . 10.0 113.647 -172.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -66.1 -22.75 66.42 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.244 1.384 . . . . 10.0 113.791 -171.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.57 -53.33 22.91 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.249 0 CA-C-N 119.89 1.223 . . . . 10.0 108.218 169.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -58.73 -41.33 86.19 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.115 1.766 . . . . 10.0 110.503 -175.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -68.5 -26.89 65.69 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.55 1.54 . . . . 10.0 112.513 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 28.4 mt -84.66 -47.0 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 119.962 1.256 . . . . 10.0 108.404 169.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 mt -39.31 -56.24 1.58 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 127.82 2.448 . . . . 10.0 113.717 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . 0.263 0.0 OUTLIER -65.39 -6.44 10.24 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 115.431 1.641 . . . . 10.0 115.431 -177.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 58.1 p -87.0 -6.23 58.82 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.969 1.259 . . . . 10.0 114.078 170.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.02 64.87 67.26 Favored Pre-proline 0 N--CA 1.47 0.535 0 N-CA-C 108.225 -1.028 . . . . 10.0 108.225 -172.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -47.01 -47.67 16.15 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 124.749 3.633 . . . . 10.0 116.35 -168.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -67.14 -37.73 84.32 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 119.555 1.07 . . . . 10.0 113.158 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.91 -37.48 84.44 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.72 -0.612 . . . . 10.0 110.163 171.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 5.0 ttt -60.71 -48.14 83.1 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.03 0.932 . . . . 10.0 110.791 175.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.25 97.63 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.141 0.577 . . . . 10.0 112.331 171.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.68 86.46 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.12 0.873 . . . . 10.0 113.197 175.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -59.5 -59.93 4.67 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.084 1.354 . . . . 10.0 108.816 169.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 91.0 mt -47.85 -46.9 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-N 119.632 1.106 . . . . 10.0 111.507 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -61.8 -60.04 4.25 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 113.838 1.051 . . . . 10.0 113.838 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.68 -30.95 66.26 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 120.149 1.341 . . . . 10.0 111.606 -174.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -60.73 -56.88 15.98 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.557 1.526 . . . . 10.0 110.797 170.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 23.5 p -53.68 -45.69 70.41 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 118.461 -0.78 . . . . 10.0 111.789 174.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.3 85.96 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.964 0.906 . . . . 10.0 113.334 175.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.36 -53.9 25.62 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.598 1.559 . . . . 10.0 109.376 172.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -61.0 -57.77 11.25 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 116.188 -1.863 . . . . 10.0 111.511 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.48 1.051 0 CA-C-N 122.499 2.409 . . . . 10.0 113.969 -172.472 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 . . . . . 0 N--CA 1.467 0.38 0 N-CA-C 112.362 0.504 . . . . 10.0 112.362 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.46 HH12 ' CG ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -68.1 -38.55 82.43 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 112.846 0.684 . . . . 10.0 112.846 177.812 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.92 -32.96 65.67 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.955 0.902 . . . . 10.0 112.129 170.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.97 -45.97 83.46 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.46 1.027 . . . . 10.0 110.491 172.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.2 tp -55.1 -51.44 66.39 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.881 1.673 . . . . 10.0 110.316 173.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.46 ' CG ' HH12 ' A' ' 7' ' ' ARG 0.255 72.5 m-20 -53.58 -57.24 11.44 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 170.614 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -26.41 67.26 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 119.498 1.045 . . . . 10.0 112.78 -177.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -72.34 -52.58 15.53 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 117.367 -1.301 . . . . 10.0 110.67 172.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.412 ' CD2' ' HA ' ' A' ' 11' ' ' ASP . 7.3 p80 -66.26 -27.42 67.93 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 120.737 1.608 . . . . 10.0 112.141 -178.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.4 m -64.63 -53.77 42.39 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.135 1.374 . . . . 10.0 110.887 169.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 tp -49.34 -53.26 23.12 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 120.042 1.292 . . . . 10.0 110.004 171.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 tp -65.59 -14.71 61.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.477 1.511 . . . . 10.0 114.142 -174.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -135.98 21.67 3.27 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.12 0.968 . . . . 10.0 112.506 -171.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -61.4 -12.75 15.64 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 129.628 3.171 . . . . 10.0 115.936 -169.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.261 41.3 p 121.09 -19.45 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.871 1 C-N-CA 133.755 4.822 . . . . 10.0 112.71 -178.816 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -55.26 153.67 6.77 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 120.526 1.512 . . . . 10.0 112.949 174.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -147.82 -11.48 0.39 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.318 2.647 . . . . 10.0 114.826 -178.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.3 t -52.66 -41.33 63.71 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-N 121.747 2.067 . . . . 10.0 115.532 -168.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.9 -17.99 3.65 Favored Glycine 0 C--N 1.322 -0.234 0 O-C-N 124.643 1.214 . . . . 10.0 113.116 170.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 mt -57.25 -22.27 40.02 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 117.551 -1.214 . . . . 10.0 111.086 170.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -48.9 -41.05 32.24 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.919 1.236 . . . . 10.0 113.433 169.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -63.4 -51.41 65.94 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.178 0.991 . . . . 10.0 110.558 177.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.5 mm -67.66 -31.08 50.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 123.936 0.894 . . . . 10.0 110.102 -175.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -69.7 -53.97 16.0 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.173 1.389 . . . . 10.0 109.872 173.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.7 ptt85 -68.18 -32.69 73.11 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 118.257 -0.878 . . . . 10.0 112.943 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.2 -19.96 49.82 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.268 1.427 . . . . 10.0 112.398 170.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.4 mt -115.32 12.32 16.37 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.106 1.762 . . . . 10.0 111.611 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.05 14.18 51.88 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.084 1.326 . . . . 10.0 115.691 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.1 mt -52.93 -43.3 93.8 Favored Pre-proline 0 CA--C 1.549 0.919 0 CA-C-N 119.375 1.588 . . . . 10.0 114.796 -169.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -58.91 -26.23 80.23 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.237 1.958 . . . . 10.0 115.261 172.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -83.98 -35.95 23.55 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 118.277 -0.868 . . . . 10.0 110.825 169.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 73.0 mt -57.12 -27.77 62.11 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.786 1.175 . . . . 10.0 112.947 170.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.1 t . . . . . 0 N--CA 1.474 0.728 0 C-N-CA 124.335 1.054 . . . . 10.0 110.296 169.212 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.235 0.298 0 N-CA-C 104.914 -2.254 . . . . 10.0 104.914 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -8.38 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 125.265 1.426 . . . . 10.0 112.869 -174.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 81.4 p -109.9 -6.12 0.11 Allowed Pre-proline 0 C--O 1.218 -0.581 0 N-CA-C 118.929 2.937 . . . . 10.0 118.929 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -66.28 -19.6 56.0 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 CA-C-N 125.135 2.87 . . . . 10.0 114.077 -172.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 47.0 p -86.57 -49.14 7.76 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.435 1.094 . . . . 10.0 110.362 169.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.23 -29.27 57.69 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.474 1.509 . . . . 10.0 112.79 174.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 53.6 tp -57.32 -29.83 64.26 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 128.974 2.91 . . . . 10.0 112.543 170.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -92.26 -60.41 1.85 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.841 1.256 . . . . 10.0 109.452 168.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.2 -51.73 19.8 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 116.77 2.137 . . . . 10.0 116.77 -168.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.1 tp -77.62 -35.18 53.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 118.844 0.747 . . . . 10.0 110.149 -176.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.47 -52.92 63.54 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 116.828 -1.558 . . . . 10.0 111.197 170.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -64.04 -33.89 76.77 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 121.753 2.07 . . . . 10.0 112.516 176.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 20.8 m -65.16 -21.01 66.72 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.287 1.835 . . . . 10.0 114.555 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.06 -13.48 9.98 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 114.271 1.212 . . . . 10.0 114.271 169.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -29.15 69.62 Favored 'General case' 0 C--N 1.345 0.407 0 N-CA-C 108.465 -0.939 . . . . 10.0 108.465 167.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 5.4 p -89.85 111.57 47.07 Favored Pre-proline 0 CA--C 1.552 1.032 0 N-CA-C 101.886 -3.376 . . . . 10.0 101.886 165.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -60.46 162.37 17.89 Favored 'Trans proline' 0 C--N 1.351 0.678 0 N-CA-C 116.285 1.609 . . . . 10.0 116.285 -168.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 49.2 p -63.76 -16.05 60.19 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 117.847 -1.073 . . . . 10.0 113.719 -173.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -56.39 -59.82 10.94 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 120.088 1.313 . . . . 10.0 112.379 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -72.81 -35.13 6.0 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 CA-C-N 120.948 1.374 . . . . 10.0 111.256 168.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -81.93 36.43 0.45 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.578 1.551 . . . . 10.0 113.214 -176.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -78.54 -33.44 47.85 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 125.44 1.496 . . . . 10.0 114.568 -169.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.484 ' NE2' ' H ' ' B' ' 73' ' ' GLN . 2.2 pm0 -68.01 167.12 14.48 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 122.445 1.117 . . . . 10.0 111.381 177.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -65.21 18.52 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 115.604 1.705 . . . . 10.0 115.604 -173.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.8 -24.95 68.0 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.945 1.248 . . . . 10.0 112.748 170.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.79 -52.63 38.01 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 N-CA-C 107.049 -1.463 . . . . 10.0 107.049 169.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.55 -39.57 84.42 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.501 1.52 . . . . 10.0 111.776 -173.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -59.87 -35.27 74.46 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.754 1.222 . . . . 10.0 113.049 174.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 26.5 mt -87.47 -44.02 15.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-N 119.07 0.85 . . . . 10.0 109.971 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.2 mt -39.98 -54.7 2.17 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 128.448 2.699 . . . . 10.0 111.855 172.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -57.62 -18.23 18.91 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.128 1.158 . . . . 10.0 114.128 -174.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 82.4 p -79.82 -14.27 58.81 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 114.764 1.394 . . . . 10.0 114.764 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -124.15 96.37 42.23 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -55.26 -49.27 16.89 Favored 'Trans proline' 0 C--O 1.24 0.581 0 C-N-CA 124.136 3.224 . . . . 10.0 112.793 -173.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -60.29 -48.9 79.77 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.25 1.82 . . . . 10.0 111.369 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.32 -37.79 88.65 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 124.254 1.021 . . . . 10.0 110.611 176.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -52.23 66.27 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.773 1.17 . . . . 10.0 111.464 173.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.12 -44.66 97.0 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.506 0.594 . . . . 10.0 111.839 174.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.05 -39.08 88.49 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.411 1.084 . . . . 10.0 111.874 177.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -59.23 -60.3 4.08 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 124.995 1.318 . . . . 10.0 108.731 169.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 86.6 mt -49.02 -47.99 16.77 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 CA-C-N 119.877 1.217 . . . . 10.0 110.746 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -63.37 -60.61 3.16 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.372 1.069 . . . . 10.0 112.363 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.72 -25.18 61.96 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 117.288 -1.339 . . . . 10.0 111.52 -174.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -63.54 -48.74 76.26 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.397 1.453 . . . . 10.0 110.089 169.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.4 m -58.11 -41.96 84.68 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 122.05 -0.406 . . . . 10.0 111.186 175.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.73 -46.01 90.44 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.656 0.782 . . . . 10.0 112.36 170.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -41.71 64.95 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.8 1.64 . . . . 10.0 111.043 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -63.92 -60.32 3.41 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 118.378 -0.82 . . . . 10.0 111.168 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.47 0.553 0 CA-C-N 120.313 1.415 . . . . 10.0 114.185 -177.303 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.4 pm0 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 116.242 -1.837 . . . . 10.0 114.863 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -62.88 -40.59 97.99 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 121.508 1.958 . . . . 10.0 111.719 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.91 -41.36 78.3 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.593 0.633 . . . . 10.0 111.975 175.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.01 -44.41 96.78 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 124.306 1.042 . . . . 10.0 110.797 177.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.06 -50.74 72.94 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 129.069 2.948 . . . . 10.0 110.378 173.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -57.2 -53.56 56.72 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 113.276 0.843 . . . . 10.0 113.276 174.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -65.82 -27.42 68.24 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 119.261 0.937 . . . . 10.0 112.866 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -79.42 -42.4 25.5 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.268 0.94 . . . . 10.0 111.683 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -69.92 -29.77 67.01 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.617 1.553 . . . . 10.0 111.779 174.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.0 m -69.13 -41.98 76.64 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 117.926 -1.035 . . . . 10.0 111.15 169.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.68 -55.03 21.85 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 120.117 1.326 . . . . 10.0 110.45 170.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -63.39 -19.36 64.6 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 114.46 1.281 . . . . 10.0 114.46 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.8 t -108.17 5.25 25.67 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.072 1.749 . . . . 10.0 115.643 -174.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -48.81 -5.81 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 131.004 3.721 . . . . 10.0 118.866 -169.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.6 p 116.84 -18.82 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.074 1 C-N-CA 135.243 5.417 . . . . 10.0 112.695 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -63.72 156.13 27.99 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-O 123.505 1.621 . . . . 10.0 113.217 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.18 -9.28 0.68 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 128.17 2.588 . . . . 10.0 112.793 169.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.1 p -48.76 -59.96 3.13 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.227 2.211 . . . . 10.0 113.851 -169.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.88 -11.02 29.27 Favored Glycine 0 N--CA 1.474 1.197 0 C-N-CA 124.25 0.929 . . . . 10.0 114.331 171.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.0 mt -65.79 -25.77 67.39 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 117.759 -1.115 . . . . 10.0 111.889 169.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -50.03 -41.52 47.6 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 120.079 1.309 . . . . 10.0 112.447 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -59.51 -50.53 73.56 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.482 1.113 . . . . 10.0 111.238 175.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.1 mm -66.9 -35.2 74.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 124.449 1.1 . . . . 10.0 110.062 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -68.84 -49.68 56.37 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.339 1.456 . . . . 10.0 110.013 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 ptt85 -70.38 -35.87 73.76 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 117.982 -1.008 . . . . 10.0 112.06 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.64 -20.49 60.95 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.708 1.003 . . . . 10.0 113.708 172.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.2 mt -115.11 16.96 16.96 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.51 1.524 . . . . 10.0 113.372 175.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.09 15.65 63.23 Favored Glycine 0 C--N 1.345 1.051 0 C-N-CA 123.96 0.79 . . . . 10.0 114.636 171.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.5 mt -59.25 -41.76 89.34 Favored Pre-proline 0 CA--C 1.554 1.101 0 O-C-N 121.375 -1.073 . . . . 10.0 112.915 -171.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -62.88 -27.64 75.0 Favored 'Trans proline' 0 CA--C 1.545 1.062 0 C-N-CA 122.534 2.156 . . . . 10.0 114.757 169.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -74.55 -35.64 63.09 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 120.516 -1.365 . . . . 10.0 110.719 171.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.51 -33.18 75.02 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.998 -1.064 . . . . 10.0 111.629 169.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 169.389 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 36.8 m . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 104.04 -2.578 . . . . 10.0 104.04 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . 0.432 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.3 OUTLIER -89.6 -20.3 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 CA-C-N 118.607 0.64 . . . . 10.0 110.681 -169.749 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 52.1 p -98.15 1.35 0.08 OUTLIER Pre-proline 0 C--O 1.222 -0.385 0 N-CA-C 119.552 3.168 . . . . 10.0 119.552 -174.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -64.13 -19.25 65.88 Favored 'Trans proline' 0 CA--C 1.549 1.274 0 CA-C-N 126.894 3.498 . . . . 10.0 113.456 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.7 p -81.07 -55.49 4.73 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.843 1.257 . . . . 10.0 110.837 169.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.42 -28.18 66.7 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 118.633 0.651 . . . . 10.0 112.314 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 23.8 tp -57.73 -25.1 59.93 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 127.685 2.394 . . . . 10.0 112.187 170.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -96.36 -58.98 1.93 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.069 0.948 . . . . 10.0 109.77 168.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.81 -38.62 37.77 Favored 'General case' 0 C--N 1.343 0.284 0 N-CA-C 116.853 2.168 . . . . 10.0 116.853 -168.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.0 tp -78.38 -33.99 48.55 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 120.607 1.548 . . . . 10.0 109.925 174.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.67 -55.65 30.76 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-O 117.519 -1.229 . . . . 10.0 111.077 174.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 40.6 ptt85 -57.83 -33.53 68.71 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.5 1.5 . . . . 10.0 112.232 173.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 15.4 m -66.97 -22.82 65.91 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.367 1.467 . . . . 10.0 114.053 -177.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.51 -13.46 11.57 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.236 1.198 . . . . 10.0 114.236 169.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -65.47 -39.9 92.53 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 107.397 -1.334 . . . . 10.0 107.397 167.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 13.6 p -71.45 120.9 82.54 Favored Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 104.752 -2.314 . . . . 10.0 104.752 167.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -62.93 156.82 51.94 Favored 'Trans proline' 0 C--N 1.354 0.826 0 N-CA-C 116.584 1.725 . . . . 10.0 116.584 -168.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 4.4 m -59.9 3.2 0.06 Allowed 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 129.853 3.261 . . . . 10.0 115.926 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.9 t -77.04 -69.68 0.22 Allowed Pre-proline 0 N--CA 1.468 0.442 0 CA-C-O 117.073 -1.442 . . . . 10.0 110.197 171.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -67.61 -24.77 41.32 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 CA-C-N 122.614 1.969 . . . . 10.0 113.107 169.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -89.54 8.84 29.11 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.389 1.255 . . . . 10.0 114.389 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -58.61 5.25 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 118.003 2.594 . . . . 10.0 118.003 -173.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -139.03 -171.85 3.19 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 123.633 1.682 . . . . 10.0 115.285 -169.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -51.77 -7.87 0.06 Allowed 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 118.437 2.754 . . . . 10.0 118.437 -169.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -66.4 -25.23 66.67 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 121.552 1.978 . . . . 10.0 113.302 171.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.72 -50.41 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 107.618 -1.252 . . . . 10.0 107.618 169.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.98 -38.02 89.45 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.277 1.031 . . . . 10.0 111.612 -173.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -59.03 -43.76 91.67 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 117.725 -1.131 . . . . 10.0 112.729 172.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 33.7 mt -78.29 -43.08 27.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 120.111 1.323 . . . . 10.0 110.006 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.2 mt -40.58 -59.59 1.32 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.637 1.975 . . . . 10.0 112.399 171.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.01 -8.73 17.27 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.58 1.326 . . . . 10.0 114.58 -176.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 52.7 p -88.5 -4.23 58.65 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.951 1.251 . . . . 10.0 114.259 173.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -132.74 73.44 76.14 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 106.479 -1.675 . . . . 10.0 106.479 -178.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -53.84 -33.66 72.17 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 123.307 2.672 . . . . 10.0 114.821 -168.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -68.35 -43.83 76.57 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.619 -0.676 . . . . 10.0 112.183 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.66 -36.85 85.59 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.888 0.875 . . . . 10.0 110.675 169.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 1.7 ttt -61.57 -48.27 81.74 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.052 0.842 . . . . 10.0 111.894 177.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.72 -46.54 90.01 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.699 0.8 . . . . 10.0 111.496 172.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.44 97.25 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.069 -0.967 . . . . 10.0 112.158 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -56.03 -56.79 16.55 Favored 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 125.073 1.349 . . . . 10.0 110.023 169.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 81.6 mt -50.78 -54.88 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.259 0.624 . . . . 10.0 110.529 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -64.32 -56.56 13.67 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.82 0.674 . . . . 10.0 112.82 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -68.06 -33.26 74.22 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 117.43 -1.271 . . . . 10.0 112.307 -176.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -61.02 -41.38 96.44 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 121.559 1.982 . . . . 10.0 109.443 170.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 4.2 m -60.34 -46.67 89.1 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.139 0.576 . . . . 10.0 111.068 174.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.71 -49.22 73.62 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.697 1.199 . . . . 10.0 111.986 171.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -42.89 66.68 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.87 1.668 . . . . 10.0 111.753 174.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -61.77 -61.06 2.77 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 118.995 0.816 . . . . 10.0 111.071 173.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 21.9 m . . . . . 0 N--CA 1.474 0.774 0 CA-C-N 119.544 1.065 . . . . 10.0 113.072 -175.712 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.412 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 28.4 tt0 . . . . . 0 N--CA 1.445 -0.698 0 CA-C-O 118.719 -0.658 . . . . 10.0 111.935 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -62.58 -42.25 99.44 Favored 'General case' 0 C--O 1.228 -0.056 0 CA-C-N 118.428 0.558 . . . . 10.0 110.179 -176.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.12 -43.35 92.26 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.401 -0.809 . . . . 10.0 112.846 176.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.412 ' CD1' ' HA ' ' A' ' 6' ' ' GLU 0.32 0.0 OUTLIER -76.88 -30.77 56.36 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.623 1.102 . . . . 10.0 111.816 179.612 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.9 tp -60.78 -48.51 81.48 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.242 1.817 . . . . 10.0 110.384 169.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -57.75 -54.35 47.86 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 113.501 0.926 . . . . 10.0 113.501 169.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -20.97 66.54 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.445 1.021 . . . . 10.0 113.056 -179.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.46 -37.67 18.07 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-O 116.264 -1.827 . . . . 10.0 113.265 171.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . 0.274 8.4 p80 -69.97 -21.36 63.25 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 122.797 2.544 . . . . 10.0 111.45 171.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.2 m -69.02 -20.34 64.13 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.42 1.088 . . . . 10.0 112.007 168.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 tp -90.96 -60.42 1.91 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.256 1.023 . . . . 10.0 110.84 170.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 tp -69.24 -6.69 30.81 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 129.018 2.927 . . . . 10.0 112.208 -171.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 61.7 m -152.05 35.73 0.54 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.802 1.641 . . . . 10.0 109.946 170.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -46.32 -54.51 8.82 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.045 1.738 . . . . 10.0 110.844 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.9 p -157.19 -69.62 0.1 Allowed 'General case' 0 C--O 1.214 -0.772 0 C-N-CA 130.945 3.698 . . . . 10.0 106.483 171.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -148.88 -172.9 4.22 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.955 1.702 . . . . 10.0 110.604 171.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.61 155.63 22.11 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 129.136 2.974 . . . . 10.0 105.626 168.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.2 p -54.04 -54.1 43.84 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.229 1.411 . . . . 10.0 112.111 -175.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.37 -22.18 76.25 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 119.314 -0.715 . . . . 10.0 113.496 174.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp -56.34 -32.62 64.87 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 115.278 1.585 . . . . 10.0 115.278 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -54.57 -59.09 5.17 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.71 1.204 . . . . 10.0 112.019 170.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -61.21 -49.76 75.85 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 128.273 2.629 . . . . 10.0 110.838 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.2 mt -56.23 -41.26 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.662 1.185 . . . . 10.0 110.689 174.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.41 ' CG ' ' HE ' ' B' ' 94' ' ' ARG . 88.4 m-20 -66.5 -51.44 56.69 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 119.679 1.127 . . . . 10.0 110.395 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 -66.45 -28.48 68.63 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.896 -1.127 . . . . 10.0 112.435 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.86 -20.17 63.42 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.708 1.14 . . . . 10.0 112.578 169.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.5 mt -116.6 14.09 15.39 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 127.325 2.25 . . . . 10.0 113.295 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 57.79 24.47 53.66 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.765 1.174 . . . . 10.0 115.106 174.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.6 mm -52.85 -42.63 90.77 Favored Pre-proline 0 CA--C 1.556 1.188 0 CA-C-N 118.96 1.38 . . . . 10.0 112.742 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.17 -40.47 84.63 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.56 2.173 . . . . 10.0 115.323 175.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -68.36 -45.9 71.56 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.304 -0.872 . . . . 10.0 110.914 173.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.53 -30.86 70.01 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.305 1.442 . . . . 10.0 112.473 177.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.481 1.107 0 C-N-CA 126.114 1.766 . . . . 10.0 110.308 169.187 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.224 -0.283 0 N-CA-C 106.991 -1.485 . . . . 10.0 106.991 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . 0.57 ' H ' HD11 ' B' ' 52' ' ' ILE . 0.1 OUTLIER -89.72 -12.12 9.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 124.46 1.104 . . . . 10.0 111.351 -168.789 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 31.9 p -105.86 5.07 0.08 OUTLIER Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 118.555 2.798 . . . . 10.0 118.555 -172.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -65.65 -19.49 59.88 Favored 'Trans proline' 0 CA--C 1.547 1.162 0 CA-C-N 125.96 3.164 . . . . 10.0 112.997 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 15.4 p -79.43 -52.56 7.9 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.664 1.586 . . . . 10.0 111.229 169.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.17 -29.96 61.57 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.342 1.457 . . . . 10.0 113.525 173.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.0 tp -54.53 -29.11 49.7 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.585 1.554 . . . . 10.0 112.26 169.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -92.17 -60.24 1.9 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.53 1.132 . . . . 10.0 109.374 169.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.44 -47.2 28.31 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 115.696 1.739 . . . . 10.0 115.696 -169.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 tp -70.64 -36.21 73.3 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.804 1.184 . . . . 10.0 110.575 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 tp -54.25 -59.02 5.23 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.376 1.07 . . . . 10.0 109.714 169.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -50.08 -47.57 53.61 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 126.228 1.811 . . . . 10.0 112.094 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 1.1 m -60.75 -19.92 60.15 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 127.076 2.15 . . . . 10.0 115.303 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.01 -18.34 10.13 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 124.304 1.003 . . . . 10.0 113.468 169.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -29.76 67.71 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 117.691 -1.147 . . . . 10.0 112.635 170.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 12.7 p -87.75 148.07 42.85 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 124.767 1.227 . . . . 10.0 108.068 168.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . 0.465 ' C ' ' H ' ' B' ' 69' ' ' SER . 24.1 Cg_exo -62.64 122.83 11.33 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.332 2.021 . . . . 10.0 115.6 -168.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 43.8 p -56.88 16.71 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 130.542 3.537 . . . . 10.0 116.075 173.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' SER . . . . . 0.465 ' H ' ' C ' ' B' ' 67' ' ' PRO . 14.7 t -86.31 -74.12 0.06 OUTLIER Pre-proline 0 CA--C 1.543 0.681 0 C-N-CA 126.42 1.888 . . . . 10.0 108.421 169.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.49 -27.64 22.73 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 CA-C-N 121.721 1.65 . . . . 10.0 111.149 169.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -80.09 57.8 2.79 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 125.895 1.678 . . . . 10.0 111.544 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -174.92 0.08 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 130.104 3.362 . . . . 10.0 114.298 -174.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -53.09 -59.64 4.29 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 125.913 1.685 . . . . 10.0 113.852 -174.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -53.63 -48.0 69.74 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 118.676 -0.678 . . . . 10.0 112.746 -169.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -67.13 -28.12 67.88 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 117.185 -1.388 . . . . 10.0 113.621 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -72.83 -52.41 22.8 Favored 'Isoleucine or valine' 0 C--N 1.344 0.348 0 C-N-CA 118.446 -1.302 . . . . 10.0 107.933 170.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -37.4 80.43 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.737 0.815 . . . . 10.0 111.705 -172.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -59.17 -36.98 76.27 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.19 1.796 . . . . 10.0 113.712 171.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 17.2 mt -90.22 -35.15 7.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 119.855 1.207 . . . . 10.0 109.934 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 6.8 mt -46.89 -57.05 5.33 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.902 2.081 . . . . 10.0 110.334 168.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -8.09 17.98 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.344 1.238 . . . . 10.0 114.344 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 28.5 p -83.21 -10.84 58.36 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.784 1.401 . . . . 10.0 114.784 170.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -137.01 74.27 50.58 Favored Pre-proline 0 C--N 1.324 -0.518 0 C-N-CA 123.371 0.668 . . . . 10.0 111.562 174.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -44.37 -33.68 6.53 Favored 'Trans proline' 0 CA--C 1.542 0.902 1 C-N-CA 126.281 4.654 . . . . 10.0 116.071 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -69.63 -42.96 73.6 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 120.996 -1.065 . . . . 10.0 112.852 173.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tt -64.53 -39.85 94.53 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.711 0.805 . . . . 10.0 110.148 169.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -48.1 80.95 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.294 1.437 . . . . 10.0 112.912 175.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.64 -46.82 88.87 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.253 -0.88 . . . . 10.0 111.779 171.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.46 79.19 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.998 0.74 . . . . 10.0 112.998 175.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -58.74 -60.6 3.57 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 125.185 1.394 . . . . 10.0 110.302 170.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 82.5 mt -50.66 -46.84 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 118.769 0.713 . . . . 10.0 110.926 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -58.06 -60.61 3.47 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.056 1.742 . . . . 10.0 112.546 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -35.22 77.74 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.627 1.103 . . . . 10.0 110.98 -176.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . 0.41 ' HE ' ' CG ' ' A' ' 29' ' ' ASP . 25.1 mmm180 -55.94 -49.23 74.07 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.454 -1.404 . . . . 10.0 110.802 169.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.0 m -63.49 -45.11 92.21 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 119.111 -0.471 . . . . 10.0 111.622 176.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.52 87.13 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.024 0.93 . . . . 10.0 112.593 176.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -48.46 -57.64 5.82 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 124.942 1.297 . . . . 10.0 109.494 169.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -56.74 -59.94 4.29 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 118.348 -0.834 . . . . 10.0 112.581 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.474 0.772 0 CA-C-N 120.27 1.395 . . . . 10.0 113.54 -175.164 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 . . . . . 0 CA--C 1.512 -0.485 0 CA-C-O 117.565 -1.207 . . . . 10.0 112.541 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -56.65 -36.51 69.6 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 120.596 1.543 . . . . 10.0 112.502 -170.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.36 -44.4 75.3 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.772 0.715 . . . . 10.0 112.737 171.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.01 -45.48 94.66 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 125.706 1.602 . . . . 10.0 110.198 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.31 -50.51 69.75 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 130.028 3.331 . . . . 10.0 110.351 176.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -57.68 -51.92 67.57 Favored 'General case' 0 C--N 1.344 0.34 0 N-CA-C 113.961 1.097 . . . . 10.0 113.961 173.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -64.54 -32.02 73.48 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-N 119.529 1.059 . . . . 10.0 112.53 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.6 tp -75.94 -43.58 44.18 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.183 0.901 . . . . 10.0 111.418 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -68.88 -30.93 69.54 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.907 1.231 . . . . 10.0 111.157 176.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.5 m -63.9 -50.55 68.3 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 117.485 -1.245 . . . . 10.0 110.234 169.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 tp -51.01 -52.8 39.26 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.675 1.125 . . . . 10.0 111.249 173.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.32 -22.33 65.97 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.832 1.049 . . . . 10.0 113.832 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 m -120.37 15.21 12.13 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.037 1.125 . . . . 10.0 114.037 -168.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -55.82 -0.24 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 130.756 3.622 . . . . 10.0 117.727 -169.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.8 p 111.31 -25.35 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.228 1 C-N-CA 134.442 5.097 . . . . 10.0 111.906 -175.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -61.31 157.47 16.42 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 123.523 1.63 . . . . 10.0 113.661 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -146.82 -1.01 0.7 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.121 2.168 . . . . 10.0 113.872 170.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 m -47.07 -48.84 22.43 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.741 2.016 . . . . 10.0 116.043 -168.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.66 -14.11 5.38 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 125.013 1.292 . . . . 10.0 112.655 169.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 mt -59.46 -24.63 63.71 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 121.653 -0.91 . . . . 10.0 110.878 169.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -41.99 -43.25 3.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.814 2.045 . . . . 10.0 114.715 170.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.16 -52.25 63.17 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.768 0.827 . . . . 10.0 112.603 172.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.1 mm -67.93 -28.34 40.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.184 1.394 . . . . 10.0 109.241 -174.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -70.87 -53.91 13.45 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.885 1.674 . . . . 10.0 110.92 172.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 ptt-85 -63.26 -34.17 77.08 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 117.842 -1.075 . . . . 10.0 112.396 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.9 -20.54 37.81 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.288 1.035 . . . . 10.0 113.782 175.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 mt -117.46 12.25 14.12 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.494 1.518 . . . . 10.0 111.715 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.14 11.91 64.69 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 124.251 0.929 . . . . 10.0 115.262 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.279 33.2 mt -50.13 -49.68 74.13 Favored Pre-proline 0 CA--C 1.547 0.857 0 CA-C-N 118.952 1.376 . . . . 10.0 113.771 -173.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -59.85 -26.1 81.31 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 122.543 2.162 . . . . 10.0 114.702 174.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -79.29 -37.71 37.1 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.164 -0.96 . . . . 10.0 111.72 172.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.4 mt -59.47 -30.12 68.3 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.332 0.515 . . . . 10.0 111.71 170.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 53.4 t . . . . . 0 N--CA 1.475 0.796 0 C-N-CA 125.761 1.624 . . . . 10.0 110.52 169.299 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.9 m . . . . . 0 N--CA 1.464 0.244 0 N-CA-C 104.748 -2.316 . . . . 10.0 104.748 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.74 -22.66 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 109.393 -0.595 . . . . 10.0 109.393 -171.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 50.3 p -88.84 1.36 0.06 OUTLIER Pre-proline 0 N--CA 1.465 0.282 0 N-CA-C 119.828 3.27 . . . . 10.0 119.828 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -64.11 -19.25 65.95 Favored 'Trans proline' 0 CA--C 1.549 1.274 0 CA-C-N 127.294 3.641 . . . . 10.0 113.346 174.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.1 p -81.01 -53.1 6.72 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.498 1.519 . . . . 10.0 111.397 169.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.77 -29.03 67.91 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.382 1.473 . . . . 10.0 111.903 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 20.6 tp -56.59 -22.05 31.03 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.967 2.507 . . . . 10.0 111.229 169.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -98.77 -58.81 1.86 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.401 1.08 . . . . 10.0 108.71 168.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.09 -39.05 34.73 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 117.537 2.421 . . . . 10.0 117.537 -168.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 tp -79.07 -34.63 43.5 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.428 1.013 . . . . 10.0 109.611 174.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 22.1 tp -61.65 -51.88 66.64 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 117.549 -1.215 . . . . 10.0 111.326 174.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 41.2 ptt85 -58.12 -41.25 83.22 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 120.611 1.551 . . . . 10.0 111.071 171.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 7.8 m -58.33 -33.35 69.41 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.916 1.686 . . . . 10.0 113.64 -176.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.59 -12.69 15.85 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.238 1.199 . . . . 10.0 114.238 173.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -58.58 -42.77 88.8 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 106.808 -1.553 . . . . 10.0 106.808 167.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 14.1 p -73.01 112.34 15.06 Favored Pre-proline 0 CA--C 1.543 0.711 0 N-CA-C 101.65 -3.463 . . . . 10.0 101.65 165.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -67.85 161.99 41.57 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 121.558 1.505 . . . . 10.0 115.519 -168.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 16.3 p -57.36 -23.91 51.95 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 115.757 1.762 . . . . 10.0 115.757 -169.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 32.5 t -46.7 -67.11 0.42 Allowed Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.604 1.161 . . . . 10.0 113.93 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.41 -20.78 18.0 Favored 'Trans proline' 0 CA--C 1.552 1.385 0 C-N-CA 121.863 1.709 . . . . 10.0 113.0 169.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -89.9 18.25 5.91 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.341 1.856 . . . . 10.0 114.653 -172.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.44 4.34 0.38 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.404 1.881 . . . . 10.0 115.254 -175.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -105.34 175.99 5.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 124.274 1.988 . . . . 10.0 115.783 -169.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -48.01 -13.52 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 128.137 2.575 . . . . 10.0 116.118 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -68.28 -22.48 64.74 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 121.425 1.92 . . . . 10.0 113.286 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -73.89 -53.22 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 107.453 -1.314 . . . . 10.0 107.453 169.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.44 -38.14 79.92 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.888 1.275 . . . . 10.0 111.25 -173.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -62.79 -28.66 70.14 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.98 1.312 . . . . 10.0 113.584 175.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 23.0 mt -90.14 -45.3 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-N 119.98 1.264 . . . . 10.0 109.839 172.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.4 mt -39.8 -59.6 1.14 Allowed 'General case' 0 C--N 1.344 0.355 0 C-N-CA 127.077 2.151 . . . . 10.0 112.891 172.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -13.19 52.96 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 114.28 1.215 . . . . 10.0 114.28 -173.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 52.2 p -82.25 -4.91 58.05 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.129 1.159 . . . . 10.0 114.129 173.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -134.16 82.54 47.58 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 119.211 0.914 . . . . 10.0 110.275 -174.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -49.64 -44.68 34.64 Favored 'Trans proline' 0 CA--C 1.535 0.542 0 C-N-CA 123.629 2.886 . . . . 10.0 115.516 -172.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -63.21 -45.69 90.5 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.445 0.535 . . . . 10.0 112.445 175.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.49 -35.61 80.69 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 118.478 -0.772 . . . . 10.0 110.745 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -49.21 74.06 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 120.009 1.277 . . . . 10.0 112.135 175.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.54 98.9 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.177 -0.952 . . . . 10.0 112.008 173.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.12 -37.26 86.51 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 118.21 -0.9 . . . . 10.0 112.856 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -57.8 -59.6 4.97 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 126.2 1.8 . . . . 10.0 108.361 169.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.37 -51.29 42.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 119.475 1.034 . . . . 10.0 110.719 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -61.0 2.95 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.654 1.182 . . . . 10.0 111.796 178.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -32.62 70.4 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 117.589 -1.196 . . . . 10.0 111.738 -173.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -61.16 -49.86 75.5 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 121.797 2.09 . . . . 10.0 109.88 170.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.7 m -61.33 -40.06 92.81 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.618 -0.676 . . . . 10.0 111.581 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.92 -48.29 81.12 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.871 0.869 . . . . 10.0 112.462 171.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -42.2 65.48 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.673 1.189 . . . . 10.0 111.104 177.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -61.2 -59.81 4.73 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 117.782 -1.104 . . . . 10.0 111.972 172.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 26.1 m . . . . . 0 N--CA 1.478 0.932 0 CA-C-N 120.366 1.439 . . . . 10.0 113.181 -176.95 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.441 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 17.5 tt0 . . . . . 0 N--CA 1.443 -0.815 0 CA-C-O 118.054 -0.974 . . . . 10.0 111.329 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 mmm-85 -59.54 -38.97 82.46 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 119.071 -1.052 . . . . 10.0 112.798 -169.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.86 -49.18 73.77 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.773 0.829 . . . . 10.0 112.784 171.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 6' ' ' GLU 0.392 0.0 OUTLIER -71.97 -32.4 67.22 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 120.08 1.309 . . . . 10.0 113.16 -178.588 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.6 tp -63.11 -46.9 85.12 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 128.874 2.869 . . . . 10.0 110.097 170.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -58.16 -54.14 50.39 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.423 0.898 . . . . 10.0 113.423 172.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -63.71 -29.33 70.57 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.342 0.974 . . . . 10.0 113.113 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.0 tp -75.06 -40.17 60.44 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.921 0.782 . . . . 10.0 111.868 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -73.23 -26.23 61.05 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.662 1.119 . . . . 10.0 111.952 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.4 m -63.19 -51.4 66.49 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.381 0.991 . . . . 10.0 110.554 169.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.5 tp -49.46 -53.65 21.89 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.704 0.802 . . . . 10.0 110.461 171.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mt -65.17 -4.6 5.23 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.098 1.518 . . . . 10.0 115.098 176.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.557 ' HB2' ' HE3' ' B' ' 97' ' ' LYS . 84.8 p -138.61 15.64 2.73 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 119.523 -1.986 . . . . 10.0 114.626 -172.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -53.5 -6.83 0.08 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 131.174 3.79 . . . . 10.0 116.736 -177.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.7 p 117.56 -17.61 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.432 1 C-N-CA 135.167 5.387 . . . . 10.0 113.341 178.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -66.76 149.86 49.94 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 122.551 1.167 . . . . 10.0 113.497 173.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.64 -3.13 1.69 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.436 2.294 . . . . 10.0 113.805 170.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.7 m -50.17 -53.65 26.31 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 126.737 2.015 . . . . 10.0 113.669 -169.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.87 -25.04 8.71 Favored Glycine 0 CA--C 1.524 0.607 0 CA-C-O 119.482 -0.621 . . . . 10.0 113.776 171.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.28 -24.23 67.58 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 117.914 -1.041 . . . . 10.0 112.357 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -47.28 -42.97 21.91 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.329 1.052 . . . . 10.0 111.093 168.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.8 -51.02 68.72 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.776 1.171 . . . . 10.0 112.162 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.0 mm -59.74 -40.66 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 123.915 0.886 . . . . 10.0 109.768 176.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -74.52 -39.1 62.6 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 124.578 1.151 . . . . 10.0 110.732 -173.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -68.12 -34.82 77.08 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 119.686 1.13 . . . . 10.0 112.071 169.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.22 -20.02 62.32 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.295 0.952 . . . . 10.0 113.174 170.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.0 mt -108.36 10.88 27.46 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 125.811 1.644 . . . . 10.0 112.056 174.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.27 7.41 51.63 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 125.393 1.473 . . . . 10.0 115.224 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.264 59.5 mt -53.16 -46.04 97.98 Favored Pre-proline 0 CA--C 1.541 0.607 0 C-N-CA 126.032 1.733 . . . . 10.0 115.157 -170.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -53.52 -40.77 77.67 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 122.585 2.19 . . . . 10.0 113.62 170.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -75.88 -25.31 56.0 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.641 1.109 . . . . 10.0 113.054 174.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.28 -33.35 75.11 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 120.037 1.289 . . . . 10.0 111.296 169.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.7 t . . . . . 0 N--CA 1.476 0.833 0 C-N-CA 124.485 1.114 . . . . 10.0 110.078 169.765 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 101.054 -3.684 . . . . 10.0 101.054 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -89.6 -15.25 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 119.53 1.059 . . . . 10.0 110.583 -169.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 3.5 p -98.21 6.09 0.07 OUTLIER Pre-proline 0 CA--C 1.543 0.698 0 N-CA-C 118.821 2.897 . . . . 10.0 118.821 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -63.12 -18.8 66.81 Favored 'Trans proline' 0 CA--C 1.551 1.362 0 CA-C-N 126.585 3.388 . . . . 10.0 113.269 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.4 p -78.5 -53.91 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 125.942 1.697 . . . . 10.0 111.175 169.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.9 -26.78 62.63 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.255 1.422 . . . . 10.0 112.562 172.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.51 -22.87 62.24 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.595 1.958 . . . . 10.0 112.317 170.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -94.37 -59.96 1.83 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.248 1.019 . . . . 10.0 108.759 169.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.99 -53.77 9.33 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.766 1.395 . . . . 10.0 114.766 -169.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.0 tp -68.23 -34.77 76.85 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.527 -1.358 . . . . 10.0 110.345 178.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.54 -60.65 3.14 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 117.606 -1.188 . . . . 10.0 110.471 170.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -35.49 70.6 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 120.327 1.421 . . . . 10.0 112.197 178.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 1.2 m -62.63 -20.96 65.31 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.447 1.899 . . . . 10.0 115.285 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.52 -19.34 9.48 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 124.817 1.323 . . . . 10.0 113.635 172.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -61.63 -40.72 95.88 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 107.71 -1.218 . . . . 10.0 107.71 167.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 10.3 p -68.46 127.94 93.14 Favored Pre-proline 0 CA--C 1.546 0.805 0 N-CA-C 105.515 -2.032 . . . . 10.0 105.515 167.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.03 151.88 45.28 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 121.496 1.464 . . . . 10.0 114.982 -168.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 1.1 m -58.37 15.67 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.751 1 C-N-CA 131.885 4.074 . . . . 10.0 116.024 -170.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.2 t -76.52 -81.8 0.04 OUTLIER Pre-proline 0 CA--C 1.539 0.528 0 C-N-CA 124.908 1.283 . . . . 10.0 110.718 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -72.52 -24.03 19.4 Favored 'Trans proline' 0 C--N 1.359 1.12 0 CA-C-N 122.47 1.918 . . . . 10.0 111.549 169.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -68.36 -3.99 13.0 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 125.601 1.56 . . . . 10.0 113.87 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -20.78 63.65 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.127 1.771 . . . . 10.0 112.274 168.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -59.27 160.26 6.74 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 122.511 1.148 . . . . 10.0 113.05 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -51.22 -2.44 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 128.928 2.891 . . . . 10.0 115.989 171.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -60.41 -31.07 70.03 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 119.879 1.218 . . . . 10.0 113.012 169.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.84 -52.61 38.06 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 C-N-CA 119.107 -1.037 . . . . 10.0 108.426 171.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.77 -43.49 72.84 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.2 1.4 . . . . 10.0 110.906 -175.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -59.35 -33.91 71.73 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.564 1.146 . . . . 10.0 113.351 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 7.6 mt -91.0 -36.77 8.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 119.032 0.833 . . . . 10.0 111.545 175.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.2 mt -46.3 -45.45 17.41 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 127.502 2.321 . . . . 10.0 112.864 174.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -59.86 -14.51 15.52 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.838 1.421 . . . . 10.0 114.838 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 90.0 p -73.62 -56.17 5.35 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.737 1.384 . . . . 10.0 114.737 -172.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -89.47 105.04 9.34 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 119.414 1.006 . . . . 10.0 108.916 170.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -60.98 -31.91 91.85 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 122.847 2.365 . . . . 10.0 111.949 -174.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -72.99 -41.55 64.19 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.99 0.916 . . . . 10.0 110.521 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.17 -41.49 92.97 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.408 1.004 . . . . 10.0 110.383 169.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -50.48 73.47 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 175.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.89 99.7 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 112.335 0.494 . . . . 10.0 112.335 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.7 76.85 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.84 1.256 . . . . 10.0 110.993 175.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -49.2 -60.33 2.9 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.587 1.555 . . . . 10.0 109.267 170.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 85.9 mt -50.95 -55.05 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 119.555 1.071 . . . . 10.0 111.555 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -57.6 11.56 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.844 0.858 . . . . 10.0 111.724 -179.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -67.17 -39.95 86.55 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.634 1.573 . . . . 10.0 112.408 -175.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -61.5 -44.48 96.99 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 119.911 1.232 . . . . 10.0 110.958 172.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 3.1 m -59.51 -49.93 75.88 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 118.923 -0.56 . . . . 10.0 110.099 176.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.43 -45.89 69.6 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 118.412 -0.804 . . . . 10.0 111.663 170.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . 0.557 ' HE3' ' HB2' ' A' ' 18' ' ' SER . 5.9 tppt? -50.22 -19.79 0.88 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.145 1.778 . . . . 10.0 115.03 177.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -103.83 -14.35 16.07 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 116.031 1.863 . . . . 10.0 116.031 175.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . 0.488 14.1 m . . . . . 0 C--N 1.344 0.351 0 CA-C-N 120.513 1.506 . . . . 10.0 113.242 -170.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 . . . . . 0 CA--C 1.513 -0.46 0 CA-C-O 116.605 -1.664 . . . . 10.0 112.088 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.491 ' HE ' ' CG ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -59.52 -51.98 67.53 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 120.584 1.538 . . . . 10.0 112.394 -177.084 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.44 -39.86 92.58 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.661 -0.685 . . . . 10.0 112.452 176.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.4 mt -63.25 -52.82 60.59 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 118.519 0.6 . . . . 10.0 110.657 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.3 tp -60.17 -45.64 92.4 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 125.148 1.379 . . . . 10.0 110.28 178.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.491 ' CG ' ' HE ' ' A' ' 7' ' ' ARG . 81.5 m-20 -59.01 -51.44 70.06 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.492 0.587 . . . . 10.0 112.206 177.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -24.47 63.23 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 118.042 -0.98 . . . . 10.0 113.247 178.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.87 -47.52 25.14 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 120.167 1.348 . . . . 10.0 111.211 172.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -65.86 -30.16 70.73 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 120.681 1.582 . . . . 10.0 111.095 176.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.6 m -59.83 -55.43 34.28 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.8 0.84 . . . . 10.0 109.209 169.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tp -50.88 -55.74 15.58 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.736 0.814 . . . . 10.0 112.236 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.97 -17.67 64.83 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.607 1.336 . . . . 10.0 114.607 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 p -125.07 11.21 8.22 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 115.004 1.483 . . . . 10.0 115.004 -172.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -47.04 -5.62 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.873 1 C-N-CA 132.596 4.359 . . . . 10.0 118.585 -172.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.1 p 112.08 -18.96 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.08 1 C-N-CA 134.462 5.105 . . . . 10.0 112.03 -171.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -67.19 156.28 36.67 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 121.544 1.975 . . . . 10.0 113.918 174.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.67 -1.16 0.8 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.084 2.154 . . . . 10.0 113.679 169.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 m -47.37 -42.81 22.5 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 116.79 2.144 . . . . 10.0 116.79 -167.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.27 -15.37 3.41 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 124.273 0.94 . . . . 10.0 113.69 168.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 mt -59.88 -24.79 64.55 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 123.702 0.801 . . . . 10.0 111.033 169.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -44.02 -43.52 6.77 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.076 1.751 . . . . 10.0 114.428 170.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -66.8 -49.06 67.03 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.944 0.898 . . . . 10.0 112.025 174.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 mm -61.92 -38.47 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 124.265 1.026 . . . . 10.0 109.77 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -62.4 -53.64 52.04 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 125.253 1.421 . . . . 10.0 109.931 175.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.9 ptt-85 -67.14 -35.01 78.8 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.191 0.905 . . . . 10.0 112.778 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.82 -20.18 61.14 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.311 1.044 . . . . 10.0 113.392 172.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.8 mt -112.47 16.4 19.86 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.761 1.624 . . . . 10.0 111.724 174.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.78 11.41 49.72 Favored Glycine 0 C--N 1.343 0.971 0 C-N-CA 125.363 1.459 . . . . 10.0 115.3 175.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.264 20.1 mt -55.08 -43.0 98.83 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-N 118.856 1.328 . . . . 10.0 113.406 -170.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -55.99 -34.29 91.81 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.849 2.366 . . . . 10.0 115.081 169.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.63 -46.47 63.26 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 120.914 -1.116 . . . . 10.0 110.33 169.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.8 mt -52.45 -38.25 58.84 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.35 0.977 . . . . 10.0 111.946 174.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.1 t . . . . . 0 N--CA 1.468 0.445 0 C-N-CA 124.718 1.207 . . . . 10.0 110.991 169.779 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 16.8 m . . . . . 0 CA--C 1.52 -0.186 0 N-CA-C 105.179 -2.156 . . . . 10.0 105.179 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . 0.43 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.2 OUTLIER -89.58 -15.06 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 109.142 -0.688 . . . . 10.0 109.142 -170.417 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 34.1 p -94.0 5.75 0.06 OUTLIER Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 119.85 3.278 . . . . 10.0 119.85 -175.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -64.18 -20.16 66.82 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 CA-C-N 126.248 3.267 . . . . 10.0 113.011 173.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 16.2 p -81.41 -50.93 8.87 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.085 1.754 . . . . 10.0 111.744 169.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.8 -26.86 67.6 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.867 0.867 . . . . 10.0 112.9 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 27.1 tp -60.13 -24.33 64.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 127.127 2.171 . . . . 10.0 111.288 169.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -90.97 -60.01 2.02 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 169.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.62 -40.05 17.93 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 118.8 2.889 . . . . 10.0 118.8 -167.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 14.5 tp -77.78 -35.65 51.31 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.088 1.313 . . . . 10.0 109.512 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.72 -52.35 63.59 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.061 1.344 . . . . 10.0 110.705 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 39.5 ptt85 -60.13 -35.74 75.94 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 121.318 1.872 . . . . 10.0 112.297 172.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 5.2 m -62.65 -25.38 68.1 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.855 1.662 . . . . 10.0 113.911 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.64 -13.82 12.09 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 114.406 1.261 . . . . 10.0 114.406 170.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -61.86 -37.39 84.33 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 106.363 -1.718 . . . . 10.0 106.363 167.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 8.9 p -75.61 110.49 10.77 Favored Pre-proline 0 CA--C 1.548 0.866 0 N-CA-C 103.077 -2.934 . . . . 10.0 103.077 166.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.18 155.08 41.84 Favored 'Trans proline' 0 C--N 1.353 0.815 0 N-CA-C 117.459 2.061 . . . . 10.0 117.459 -168.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 45.3 p -60.11 -24.57 64.76 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 114.173 -1.376 . . . . 10.0 113.763 -169.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 29.2 t -49.26 -65.8 0.74 Allowed Pre-proline 0 CA--C 1.55 0.96 0 CA-C-O 117.24 -1.362 . . . . 10.0 113.327 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.83 -23.74 25.57 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 CA-C-N 122.327 1.867 . . . . 10.0 112.972 169.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -89.8 17.28 6.8 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.938 1.695 . . . . 10.0 113.722 -171.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.33 13.95 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.947 2.099 . . . . 10.0 115.301 -175.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -117.28 176.3 5.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 116.563 2.061 . . . . 10.0 116.563 -169.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -49.73 -11.95 0.06 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.203 2.201 . . . . 10.0 115.947 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -66.48 -25.79 66.88 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-N 121.529 1.968 . . . . 10.0 113.61 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.49 -51.94 37.23 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 N-CA-C 107.774 -1.195 . . . . 10.0 107.774 169.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.05 -36.63 82.21 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.186 1.395 . . . . 10.0 111.369 -172.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -64.62 -30.61 71.63 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.014 1.725 . . . . 10.0 113.352 176.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.6 mt -89.78 -43.85 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.817 0.735 . . . . 10.0 109.914 174.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 mt -40.28 -55.69 2.13 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 127.331 2.252 . . . . 10.0 111.469 173.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -57.05 -23.22 44.95 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 114.648 1.351 . . . . 10.0 114.648 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 60.5 p -79.26 -7.38 58.23 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.985 0.914 . . . . 10.0 113.466 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -132.13 85.72 49.0 Favored Pre-proline 0 CA--C 1.535 0.39 0 O-C-N 120.75 -1.219 . . . . 10.0 108.901 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -51.12 -45.62 35.72 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 124.021 3.147 . . . . 10.0 114.833 -170.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -62.02 -44.58 96.4 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 112.918 0.711 . . . . 10.0 112.918 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.76 -40.77 98.3 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 125.332 1.453 . . . . 10.0 110.367 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -52.93 63.57 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.127 0.971 . . . . 10.0 113.359 171.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.34 -43.73 98.14 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.536 0.607 . . . . 10.0 112.203 176.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.58 92.96 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.933 0.893 . . . . 10.0 112.703 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -56.59 -60.22 3.86 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 124.44 1.096 . . . . 10.0 109.237 169.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 63.2 mt -51.17 -53.56 14.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 118.615 0.643 . . . . 10.0 110.838 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.413 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.0 OUTLIER -58.15 -60.16 4.19 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 123.47 0.708 . . . . 10.0 112.345 -179.861 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -32.95 70.67 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 117.01 -1.472 . . . . 10.0 111.737 -174.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -57.3 -48.91 77.73 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 121.542 1.974 . . . . 10.0 110.85 169.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.6 m -61.18 -44.2 97.67 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.422 0.689 . . . . 10.0 110.581 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.96 -44.56 97.14 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.598 0.759 . . . . 10.0 112.948 172.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.54 -48.26 48.51 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.826 2.051 . . . . 10.0 109.89 173.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -59.12 -61.14 2.86 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-O 118.694 -0.67 . . . . 10.0 112.137 175.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 113.779 1.029 . . . . 10.0 113.779 -174.69 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 . . . . . 0 C--O 1.226 -0.14 0 CA-C-O 117.212 -1.375 . . . . 10.0 111.988 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -64.79 -39.68 94.0 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 119.659 1.118 . . . . 10.0 111.722 -173.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.01 -42.95 75.73 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.721 0.809 . . . . 10.0 111.207 174.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.3 mt -62.31 -43.08 99.65 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.093 0.957 . . . . 10.0 111.784 176.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 tp -58.88 -50.11 75.23 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 128.413 2.685 . . . . 10.0 111.019 171.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -59.22 -51.83 68.3 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 177.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -65.43 -26.89 68.17 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 177.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 mt -75.56 -47.55 26.26 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 119.56 1.073 . . . . 10.0 113.751 172.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -66.36 -27.51 67.94 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 120.709 1.595 . . . . 10.0 111.226 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.4 m -71.14 -43.62 67.2 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 117.149 -1.405 . . . . 10.0 111.693 169.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 tp -50.97 -53.71 30.69 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 121.267 1.849 . . . . 10.0 110.331 169.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -64.36 -15.49 60.51 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.248 1.203 . . . . 10.0 114.248 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.439 ' C ' ' H ' ' A' ' 20' ' ' THR . 34.1 t -123.58 16.52 9.59 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 120.068 -1.645 . . . . 10.0 113.488 -173.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -52.08 -0.67 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 130.627 3.571 . . . . 10.0 117.518 -172.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.439 ' H ' ' C ' ' A' ' 18' ' ' SER . 49.6 p 115.68 -16.73 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.104 1 C-N-CA 135.571 5.549 . . . . 10.0 112.241 178.69 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.86 159.72 33.29 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-O 123.7 1.714 . . . . 10.0 114.567 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -143.49 -4.86 0.86 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 127.933 2.493 . . . . 10.0 112.987 169.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.7 m -50.05 -47.77 53.28 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 127.733 2.413 . . . . 10.0 115.652 -168.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.31 -12.23 7.63 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 123.747 0.689 . . . . 10.0 113.344 169.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mt -62.58 -22.97 66.76 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 118.251 -0.881 . . . . 10.0 112.144 169.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.06 -40.86 7.11 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.616 1.566 . . . . 10.0 114.347 169.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -59.06 -54.13 50.54 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 119.429 1.013 . . . . 10.0 112.053 170.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.0 mm -69.27 -31.88 51.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.459 0.704 . . . . 10.0 109.269 -170.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -65.18 -53.25 47.64 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.765 1.626 . . . . 10.0 110.346 171.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -64.88 -38.49 91.16 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.929 1.24 . . . . 10.0 112.192 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.41 -19.94 57.91 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.422 1.089 . . . . 10.0 113.902 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.1 mt -118.21 17.83 13.88 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.489 1.516 . . . . 10.0 111.309 176.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.91 6.48 24.81 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 126.164 1.84 . . . . 10.0 115.627 174.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.269 18.0 mt -46.6 -46.48 48.93 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 126.345 1.858 . . . . 10.0 113.99 -169.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -55.54 -28.12 63.18 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.182 2.588 . . . . 10.0 115.681 176.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -73.33 -41.15 63.83 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.683 1.583 . . . . 10.0 110.579 171.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.8 mt -57.38 -24.02 52.77 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.134 1.374 . . . . 10.0 112.885 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 N--CA 1.474 0.774 0 C-N-CA 126.269 1.828 . . . . 10.0 110.453 170.73 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 53.5 p . . . . . 0 N--CA 1.464 0.232 0 N-CA-C 108.047 -1.094 . . . . 10.0 108.047 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.64 -18.27 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 123.649 0.78 . . . . 10.0 110.537 -177.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 57.5 p -98.01 5.85 0.07 OUTLIER Pre-proline 0 C--O 1.221 -0.396 0 N-CA-C 119.135 3.013 . . . . 10.0 119.135 -175.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -66.33 -19.82 55.57 Favored 'Trans proline' 0 CA--C 1.547 1.169 0 CA-C-N 125.701 3.072 . . . . 10.0 112.722 175.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 16.1 p -80.66 -51.48 8.65 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 125.411 1.484 . . . . 10.0 110.583 169.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.0 -29.47 70.29 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.599 1.16 . . . . 10.0 112.564 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 15.9 tp -57.2 -28.83 63.2 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 127.653 2.381 . . . . 10.0 111.697 170.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -90.74 -60.48 1.91 Allowed 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.188 -0.671 . . . . 10.0 109.188 168.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.6 -37.55 27.44 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 119.329 3.085 . . . . 10.0 119.329 -167.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 tp -79.85 -38.68 32.26 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 120.151 1.341 . . . . 10.0 109.367 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 14.7 tp -55.82 -51.91 65.85 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 125.885 1.674 . . . . 10.0 109.742 170.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -52.74 -53.65 44.94 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 125.071 1.349 . . . . 10.0 111.173 168.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 9.0 m -54.82 -33.46 61.64 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.703 1.601 . . . . 10.0 114.491 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.06 -14.51 15.89 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.935 1.087 . . . . 10.0 113.935 172.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -37.92 78.07 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-O 118.234 -0.889 . . . . 10.0 108.628 168.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 25.3 p -76.77 113.47 30.06 Favored Pre-proline 0 CA--C 1.544 0.743 0 N-CA-C 103.694 -2.706 . . . . 10.0 103.694 166.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -62.01 159.01 35.93 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 N-CA-C 118.217 2.353 . . . . 10.0 118.217 -168.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 79.3 p -56.61 -32.91 65.74 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 126.957 2.103 . . . . 10.0 113.614 -169.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.7 t -46.87 -67.34 0.4 Allowed Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 125.206 1.402 . . . . 10.0 113.811 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -68.87 -23.44 35.04 Favored 'Trans proline' 0 C--N 1.358 1.037 0 CA-C-N 121.716 1.648 . . . . 10.0 113.093 170.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -88.41 11.81 15.93 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.566 1.546 . . . . 10.0 115.018 -173.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -71.63 46.36 0.12 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.55 1.94 . . . . 10.0 114.54 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -142.56 179.17 7.13 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 123.361 1.553 . . . . 10.0 113.146 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -62.85 -5.6 2.99 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.68 1.592 . . . . 10.0 115.272 -169.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -67.55 -23.27 65.41 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 121.306 1.866 . . . . 10.0 112.85 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -72.39 -52.31 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 107.55 -1.278 . . . . 10.0 107.55 169.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.32 -37.92 79.01 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.466 1.106 . . . . 10.0 111.234 -174.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -62.43 -30.2 71.05 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.323 1.449 . . . . 10.0 113.861 175.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.2 mt -90.26 -43.6 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 118.935 0.789 . . . . 10.0 109.829 174.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mt -40.82 -60.05 1.27 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.791 2.036 . . . . 10.0 111.248 172.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -14.07 61.07 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 114.449 1.277 . . . . 10.0 114.449 -173.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 48.0 p -77.19 -7.68 56.26 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.767 1.025 . . . . 10.0 113.767 173.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -131.21 84.44 57.01 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 125.013 1.325 . . . . 10.0 108.099 -175.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -49.36 -48.27 19.32 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 124.65 3.566 . . . . 10.0 115.066 -169.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -63.67 -46.13 86.96 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.519 1.528 . . . . 10.0 112.14 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.11 -42.41 94.65 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.473 0.709 . . . . 10.0 109.948 174.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 4.4 ttt -63.1 -47.59 82.16 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.514 0.726 . . . . 10.0 112.119 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.2 95.86 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.467 0.576 . . . . 10.0 112.103 174.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.21 -45.05 92.13 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 118.667 -0.682 . . . . 10.0 111.655 174.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -52.6 -58.59 6.3 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.9 1.68 . . . . 10.0 108.573 171.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 88.8 mt -52.88 -53.03 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 119.055 0.843 . . . . 10.0 110.458 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -60.07 -59.13 5.91 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.856 0.863 . . . . 10.0 112.2 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -70.42 -34.49 72.57 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.956 1.302 . . . . 10.0 112.382 -173.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -59.3 -43.66 92.6 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 121.262 1.846 . . . . 10.0 109.706 169.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.0 m -60.75 -43.0 98.52 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-O 119.149 -0.453 . . . . 10.0 111.984 172.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.9 -50.48 72.39 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.603 1.161 . . . . 10.0 112.468 173.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -49.22 -47.09 46.55 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.206 1.803 . . . . 10.0 110.896 170.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -65.6 -55.99 14.66 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.927 1.084 . . . . 10.0 113.927 175.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 N--CA 1.48 1.05 0 CA-C-N 120.63 1.559 . . . . 10.0 113.936 -173.499 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.426 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 1.4 mm-40 . . . . . 0 C--O 1.217 -0.614 0 CA-C-O 117.866 -1.064 . . . . 10.0 111.327 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -40.79 -45.14 2.39 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 115.882 1.808 . . . . 10.0 115.882 -168.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.11 -45.29 74.09 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 120.579 1.536 . . . . 10.0 114.204 174.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.426 ' CD1' ' HA ' ' A' ' 6' ' ' GLU 0.292 0.0 OUTLIER -76.84 -31.02 56.59 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.867 1.212 . . . . 10.0 111.645 178.72 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.81 -47.39 83.66 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 127.876 2.47 . . . . 10.0 109.819 169.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -58.03 -52.8 64.01 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-O 117.752 -1.118 . . . . 10.0 112.742 169.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -26.85 67.34 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 120.424 1.465 . . . . 10.0 112.954 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.42 -45.78 36.82 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 119.878 1.217 . . . . 10.0 111.483 172.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . 0.263 4.1 p80 -68.72 -28.69 67.05 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 121.057 1.753 . . . . 10.0 111.335 177.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 m -64.88 -43.4 93.03 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.931 0.892 . . . . 10.0 110.915 169.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tp -58.01 -54.27 48.87 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 119.884 1.22 . . . . 10.0 110.706 171.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.73 -19.49 63.98 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.949 1.25 . . . . 10.0 113.159 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.9 t -119.08 20.97 12.55 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.896 1.279 . . . . 10.0 114.314 -176.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -54.89 -15.29 1.86 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 127.237 2.215 . . . . 10.0 113.855 -175.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.307 49.4 p 121.25 -10.15 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.807 1 C-N-CA 135.169 5.387 . . . . 10.0 111.257 169.498 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -59.45 152.32 21.9 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 123.883 1.802 . . . . 10.0 112.047 170.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.15 -6.61 1.6 Allowed 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 127.192 2.197 . . . . 10.0 112.632 171.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.2 m -43.41 -57.5 3.03 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 126.666 1.986 . . . . 10.0 116.25 -168.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.31 -2.71 21.46 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 124.677 1.132 . . . . 10.0 111.881 168.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.75 -28.32 66.69 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-O 118.039 -0.982 . . . . 10.0 111.612 169.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -55.1 -36.09 65.31 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.749 1.62 . . . . 10.0 112.589 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -65.42 -50.73 64.35 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.715 2.006 . . . . 10.0 113.082 169.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 mt -59.9 -40.71 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.684 0.794 . . . . 10.0 110.429 175.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -60.1 -52.17 66.47 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.615 1.566 . . . . 10.0 110.83 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.7 ptt-85 -63.9 -38.81 92.45 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 118.17 -0.919 . . . . 10.0 112.673 173.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.63 -19.9 59.31 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.7 1.0 . . . . 10.0 113.7 174.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.2 mt -116.65 22.74 12.5 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.634 1.574 . . . . 10.0 112.567 169.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 67.36 5.07 33.65 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 125.496 1.522 . . . . 10.0 116.321 169.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.8 mt -52.33 -47.11 93.89 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-N 119.652 1.726 . . . . 10.0 114.006 -171.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.42 -31.54 92.73 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 122.508 2.139 . . . . 10.0 113.273 174.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -73.83 -36.72 64.95 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.109 -0.995 . . . . 10.0 111.405 171.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.85 -32.61 69.59 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.741 1.155 . . . . 10.0 112.007 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.9 t . . . . . 0 CA--C 1.539 0.544 0 C-N-CA 123.86 0.864 . . . . 10.0 110.444 169.499 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 CA--C 1.533 0.311 0 N-CA-C 104.198 -2.519 . . . . 10.0 104.198 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -90.47 -23.85 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 119.4 1.0 . . . . 10.0 111.044 -170.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' SER . . . . . 0.414 ' CB ' HD21 ' B' ' 83' ' ' ASN . 13.7 p -100.14 9.04 0.06 OUTLIER Pre-proline 0 CA--C 1.544 0.738 0 N-CA-C 119.491 3.145 . . . . 10.0 119.491 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -63.69 -19.12 66.76 Favored 'Trans proline' 0 C--N 1.353 0.816 0 CA-C-N 125.647 3.052 . . . . 10.0 113.591 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 p -83.31 -48.89 9.93 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.801 1.641 . . . . 10.0 112.119 170.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.24 -31.9 61.88 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.831 1.652 . . . . 10.0 112.565 169.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 39.4 tp -55.73 -25.89 42.66 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.262 1.825 . . . . 10.0 112.033 169.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -90.97 -60.37 1.93 Allowed 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 109.052 -0.722 . . . . 10.0 109.052 169.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.66 -48.32 19.39 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 115.644 1.72 . . . . 10.0 115.644 -168.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 16.6 tp -67.78 -39.8 84.05 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.832 1.196 . . . . 10.0 110.125 177.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 21.6 tp -55.78 -54.14 48.05 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.432 1.093 . . . . 10.0 110.087 174.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -51.31 -48.15 62.41 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.122 1.769 . . . . 10.0 112.177 170.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.56 -19.65 63.9 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 127.364 2.265 . . . . 10.0 115.5 -175.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.1 -18.58 10.58 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 168.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -57.17 -41.2 78.79 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 107.067 -1.457 . . . . 10.0 107.067 168.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 8.5 p -74.69 109.79 8.14 Favored Pre-proline 0 CA--C 1.548 0.874 0 N-CA-C 103.495 -2.78 . . . . 10.0 103.495 167.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -59.84 148.01 90.12 Favored 'Trans proline' 0 C--N 1.353 0.805 0 N-CA-C 117.278 1.991 . . . . 10.0 117.278 -167.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.4 p -51.97 -28.13 15.72 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 127.403 2.281 . . . . 10.0 115.573 -169.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 29.9 t -42.06 -65.37 0.52 Allowed Pre-proline 0 CA--C 1.545 0.756 0 C-N-CA 126.613 1.965 . . . . 10.0 113.486 -173.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -84.09 -25.98 2.05 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.179 1.92 . . . . 10.0 111.794 169.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -74.13 35.72 0.09 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.829 2.452 . . . . 10.0 114.638 -171.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -66.87 -179.18 0.85 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 129.124 2.969 . . . . 10.0 115.042 -175.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 0.81 -96.46 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 130.774 3.629 . . . . 10.0 117.411 -176.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -39.58 -60.24 0.99 Allowed 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 126.651 1.98 . . . . 10.0 115.637 -168.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -68.55 -32.38 72.28 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 121.088 1.767 . . . . 10.0 114.068 -173.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -71.06 -51.6 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 118.405 -1.318 . . . . 10.0 108.117 171.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -53.31 -43.18 67.38 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.584 1.554 . . . . 10.0 110.964 -175.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -58.39 -40.06 81.33 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.563 1.545 . . . . 10.0 113.392 178.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 7.2 mt -90.48 -33.4 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-O 118.869 -0.586 . . . . 10.0 110.2 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mt -44.2 -56.04 4.39 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 128.079 2.552 . . . . 10.0 111.013 170.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -64.5 -15.3 60.6 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.032 1.123 . . . . 10.0 114.032 -175.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 76.6 p -71.03 -26.73 63.23 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.217 1.007 . . . . 10.0 113.619 -175.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . 0.414 HD21 ' CB ' ' B' ' 53' ' ' SER . 43.4 t-20 -114.93 108.79 48.01 Favored Pre-proline 0 N--CA 1.449 -0.515 0 N-CA-C 107.75 -1.204 . . . . 10.0 107.75 169.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -62.49 -33.88 77.44 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 123.419 2.746 . . . . 10.0 111.712 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -65.41 -50.48 65.32 Favored 'General case' 0 C--N 1.346 0.446 0 C-N-CA 124.311 1.044 . . . . 10.0 110.195 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.22 -41.02 98.0 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-O 118.846 -0.597 . . . . 10.0 110.443 175.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 4.2 ttt -60.75 -46.7 89.44 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.917 1.235 . . . . 10.0 111.663 177.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.09 96.1 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.573 -0.705 . . . . 10.0 111.376 175.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.67 -41.27 94.73 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 118.204 -0.903 . . . . 10.0 111.946 175.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -55.17 -57.96 9.62 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 124.885 1.274 . . . . 10.0 110.176 170.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 96.8 mt -52.96 -52.66 26.9 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 118.297 0.499 . . . . 10.0 110.237 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.414 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.0 OUTLIER -59.56 -59.86 4.77 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.634 -0.666 . . . . 10.0 111.968 178.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -71.73 -32.04 67.33 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 117.026 -1.464 . . . . 10.0 112.181 -172.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -59.74 -42.15 92.51 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 122.51 2.414 . . . . 10.0 109.937 169.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.8 m -61.76 -46.93 87.46 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 119.293 -0.384 . . . . 10.0 111.162 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.52 -48.57 74.46 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.199 0.999 . . . . 10.0 112.642 171.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -46.46 62.98 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.308 1.843 . . . . 10.0 110.925 174.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -59.87 -59.51 5.31 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 119.093 0.86 . . . . 10.0 112.159 175.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 N--CA 1.471 0.614 0 CA-C-N 119.263 0.938 . . . . 10.0 113.42 -176.768 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.422 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 38.0 tp10 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.132 -0.937 . . . . 10.0 111.191 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.75 -45.53 93.96 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.88 1.218 . . . . 10.0 111.81 -173.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.44 -39.4 88.88 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 176.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.422 ' CD1' ' HA ' ' A' ' 6' ' ' GLU 0.407 0.0 OUTLIER -77.55 -32.29 53.78 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.187 0.903 . . . . 10.0 112.391 -179.65 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.0 tp -57.42 -46.87 83.05 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 128.505 2.722 . . . . 10.0 109.411 169.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -56.9 -54.45 46.37 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 124.022 0.929 . . . . 10.0 113.43 173.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -65.62 -26.86 68.01 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.906 1.23 . . . . 10.0 112.864 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.9 tp -77.97 -40.15 40.26 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.462 1.028 . . . . 10.0 111.964 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -73.33 -28.98 62.36 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.6 1.091 . . . . 10.0 111.54 172.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.6 m -60.59 -54.71 42.12 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.718 0.807 . . . . 10.0 110.037 169.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tp -48.19 -51.32 25.73 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.219 1.008 . . . . 10.0 111.34 173.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.418 ' HA ' ' CD2' ' B' ' 64' ' ' LEU . 7.0 mt -67.69 -17.97 64.76 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.893 1.442 . . . . 10.0 114.893 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 94.7 p -125.11 11.87 8.25 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 120.708 -1.245 . . . . 10.0 113.69 -170.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -49.26 -10.44 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 131.504 3.922 . . . . 10.0 117.888 -173.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.262 40.9 p 120.53 -18.21 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.935 1 C-N-CA 134.414 5.086 . . . . 10.0 113.34 -178.794 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -66.04 152.91 43.61 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 120.977 1.717 . . . . 10.0 112.745 175.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.64 -6.11 1.34 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.568 2.347 . . . . 10.0 113.263 169.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.7 m -52.29 -45.47 65.51 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.947 2.099 . . . . 10.0 115.623 -168.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.61 -19.05 5.07 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 123.71 0.671 . . . . 10.0 112.669 170.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mt -58.5 -26.9 63.95 Favored 'General case' 0 C--O 1.224 -0.269 0 O-C-N 121.414 -1.051 . . . . 10.0 112.657 170.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.81 -40.24 9.44 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.315 1.446 . . . . 10.0 114.184 171.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.63 -54.08 44.92 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.784 1.234 . . . . 10.0 112.659 173.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.9 mt -64.47 -35.43 74.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 124.101 0.96 . . . . 10.0 109.433 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -64.03 -53.33 51.56 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 126.011 1.724 . . . . 10.0 110.126 175.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.7 ptt-85 -61.97 -38.18 87.57 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 119.597 1.089 . . . . 10.0 112.489 175.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.99 -19.87 63.27 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.514 1.126 . . . . 10.0 113.895 177.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.8 mt -111.91 14.86 20.94 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.039 1.335 . . . . 10.0 112.675 171.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.76 17.57 60.66 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.76 1.172 . . . . 10.0 114.585 177.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.307 19.9 mt -51.98 -50.73 76.72 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 119.048 1.424 . . . . 10.0 112.846 -170.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -54.74 -27.46 52.25 Favored 'Trans proline' 0 CA--C 1.552 1.421 0 C-N-CA 123.838 3.025 . . . . 10.0 116.47 170.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.09 -40.78 26.88 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.408 1.004 . . . . 10.0 110.568 172.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.6 mt -59.76 -32.95 71.05 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.297 -0.877 . . . . 10.0 112.818 170.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.473 0.713 0 C-N-CA 127.021 2.128 . . . . 10.0 110.705 169.748 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.448 -0.551 0 N-CA-C 106.636 -1.616 . . . . 10.0 106.636 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -90.02 -7.56 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 C-N-CA 125.235 1.414 . . . . 10.0 112.76 177.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 42.5 p -112.61 11.23 0.08 OUTLIER Pre-proline 0 CA--C 1.549 0.938 0 N-CA-C 117.941 2.571 . . . . 10.0 117.941 174.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -63.77 -18.95 66.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 CA-C-N 124.335 2.584 . . . . 10.0 114.16 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 31.6 p -84.88 -51.35 6.8 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.816 1.646 . . . . 10.0 112.004 169.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.92 -25.03 18.35 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.882 1.673 . . . . 10.0 112.747 172.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 58.7 tp -55.14 -32.94 62.48 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.87 2.068 . . . . 10.0 112.542 169.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -90.4 -56.0 3.38 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.728 -0.842 . . . . 10.0 108.728 168.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.56 -60.42 2.43 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 115.013 1.486 . . . . 10.0 115.013 -169.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 tp -69.46 -32.0 70.65 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.589 0.631 . . . . 10.0 110.121 -175.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 23.1 tp -58.59 -57.63 12.14 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 117.439 -1.267 . . . . 10.0 110.652 169.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 27.7 ptt-85 -61.65 -36.86 82.01 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 121.07 1.759 . . . . 10.0 112.647 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.49 -20.44 60.06 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.219 2.208 . . . . 10.0 115.049 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.418 ' CD2' ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -119.57 -16.98 8.79 Favored 'General case' 0 C--N 1.345 0.405 0 N-CA-C 114.432 1.271 . . . . 10.0 114.432 171.597 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -31.09 72.15 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-O 118.054 -0.974 . . . . 10.0 109.306 167.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 5.4 p -77.61 130.88 72.5 Favored Pre-proline 0 CA--C 1.542 0.657 0 N-CA-C 104.042 -2.577 . . . . 10.0 104.042 167.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.31 152.66 61.32 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 N-CA-C 116.487 1.687 . . . . 10.0 116.487 -167.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 2.5 m -52.05 -21.8 3.5 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 128.656 2.782 . . . . 10.0 115.735 -170.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 29.7 t -47.82 -72.12 0.15 Allowed Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.498 1.519 . . . . 10.0 113.277 -176.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -78.87 -28.05 4.3 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 CA-C-N 121.802 1.679 . . . . 10.0 110.705 168.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -68.79 -7.06 30.63 Favored 'General case' 0 C--N 1.343 0.299 0 N-CA-C 115.054 1.501 . . . . 10.0 115.054 -171.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -22.75 3.91 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 127.103 2.161 . . . . 10.0 113.451 169.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -64.1 171.03 3.18 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 115.772 1.768 . . . . 10.0 115.772 -176.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -47.24 -24.2 0.68 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 127.906 2.482 . . . . 10.0 113.875 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -53.41 -37.6 62.68 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 117.522 -1.228 . . . . 10.0 114.165 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -66.81 -52.31 46.24 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.563 0 CA-C-N 119.399 1.0 . . . . 10.0 108.83 175.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.14 -37.62 80.63 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 124.309 1.006 . . . . 10.0 110.672 -173.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -62.88 -32.08 73.26 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.15 1.78 . . . . 10.0 113.618 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.0 mt -88.03 -44.47 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 CA-C-N 119.492 1.042 . . . . 10.0 109.401 173.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 mt -40.54 -60.3 1.15 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 127.515 2.326 . . . . 10.0 112.709 174.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -10.17 26.2 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.681 1.363 . . . . 10.0 114.681 -170.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 54.4 p -80.91 -19.45 44.28 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.212 1.405 . . . . 10.0 114.546 177.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -114.96 104.02 54.33 Favored Pre-proline 0 N--CA 1.468 0.473 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 169.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -58.35 -42.82 51.96 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 122.259 1.972 . . . . 10.0 112.509 -174.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -71.02 -42.05 70.06 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 117.698 -1.144 . . . . 10.0 111.867 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.38 -43.26 99.17 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.252 0.933 . . . . 10.0 109.387 170.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 6.0 ttt -60.58 -46.8 88.86 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.867 1.212 . . . . 10.0 112.555 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.01 99.47 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.809 -0.557 . . . . 10.0 112.054 172.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.56 -35.48 81.1 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.397 0.679 . . . . 10.0 112.764 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -60.05 -60.79 3.26 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 125.044 1.337 . . . . 10.0 108.844 170.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 82.0 mt -47.07 -55.04 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.491 1.116 . . . . 10.0 110.698 177.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -53.68 45.66 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 114.327 1.232 . . . . 10.0 114.327 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -32.48 73.38 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 119.951 1.25 . . . . 10.0 110.272 -177.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -64.3 -48.24 76.43 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 120.645 1.566 . . . . 10.0 111.104 171.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 75.1 p -60.5 -42.52 96.51 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.681 1.128 . . . . 10.0 111.289 175.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.14 -51.95 66.12 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.768 1.227 . . . . 10.0 112.027 171.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -46.36 -50.46 16.41 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.742 2.017 . . . . 10.0 110.84 170.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -62.59 -65.1 0.74 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.083 -0.96 . . . . 10.0 111.146 174.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 20.1 m . . . . . 0 N--CA 1.476 0.874 0 CA-C-N 120.836 1.653 . . . . 10.0 114.232 -170.456 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.199 -0.905 . . . . 10.0 111.541 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -40.44 96.16 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.731 1.151 . . . . 10.0 112.837 -178.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.53 -40.89 76.62 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.5 0.72 . . . . 10.0 112.093 174.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.3 mt -60.48 -51.08 71.0 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.153 0.433 . . . . 10.0 110.774 173.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.3 tp -54.61 -43.36 72.13 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 128.711 2.804 . . . . 10.0 110.448 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -60.26 -53.49 57.09 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.058 0.943 . . . . 10.0 113.102 172.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -64.29 -34.11 77.37 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.826 1.194 . . . . 10.0 111.996 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.49 -53.58 45.9 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 118.114 -0.946 . . . . 10.0 110.882 175.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -68.17 -23.83 64.9 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 120.286 1.403 . . . . 10.0 112.3 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.6 m -64.61 -57.05 10.16 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 118.329 -0.843 . . . . 10.0 109.781 169.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tp -47.54 -53.93 13.08 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.797 0.726 . . . . 10.0 110.8 172.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tp -70.17 0.13 6.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 126.099 1.759 . . . . 10.0 115.196 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.2 p -143.33 9.2 1.63 Allowed 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 115.306 1.595 . . . . 10.0 115.306 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -41.38 -11.4 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.072 1 C-N-CA 133.739 4.816 . . . . 10.0 119.719 -170.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.7 p 117.29 -29.61 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.31 1 C-N-CA 133.058 4.543 . . . . 10.0 113.441 -178.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.459 ' C ' ' H ' ' A' ' 23' ' ' THR . 0.6 OUTLIER -54.79 -49.86 69.91 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 120.623 1.556 . . . . 10.0 113.462 -170.455 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 55.57 -19.26 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 128.479 2.712 . . . . 10.0 116.756 -174.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.459 ' H ' ' C ' ' A' ' 21' ' ' ASP . 70.1 p -39.53 -59.5 1.1 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 129.571 3.148 . . . . 10.0 115.575 -168.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.05 -20.23 16.81 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 123.957 0.789 . . . . 10.0 114.108 174.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mp -59.44 -27.76 66.36 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 117.285 0.542 . . . . 10.0 110.89 172.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -40.68 -59.05 1.47 Allowed 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 127.406 2.283 . . . . 10.0 113.512 172.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -50.81 -48.71 59.6 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.465 1.029 . . . . 10.0 112.441 174.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.1 mm -60.44 -43.7 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 124.975 1.31 . . . . 10.0 110.078 177.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -62.24 -46.05 90.57 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.211 1.404 . . . . 10.0 112.019 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -69.59 -34.82 74.66 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 119.243 0.929 . . . . 10.0 111.279 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.91 -19.94 33.51 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.654 0.983 . . . . 10.0 113.654 169.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.9 mt -108.56 9.04 27.44 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.11 2.164 . . . . 10.0 112.556 171.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 65.97 15.47 62.69 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 125.796 1.665 . . . . 10.0 114.484 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.279 67.6 mt -54.59 -58.62 13.34 Favored Pre-proline 0 CA--C 1.548 0.883 0 CA-C-N 119.882 1.841 . . . . 10.0 113.012 -171.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -55.42 -33.86 87.19 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 122.485 2.124 . . . . 10.0 113.88 174.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 mp0 -70.77 -42.01 70.97 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.982 1.313 . . . . 10.0 111.56 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.57 -33.04 74.98 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.538 1.935 . . . . 10.0 111.849 170.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.469 0.521 0 C-N-CA 124.754 1.222 . . . . 10.0 110.609 169.768 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.228 -0.065 0 N-CA-C 103.767 -2.679 . . . . 10.0 103.767 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.88 -8.8 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 118.531 0.605 . . . . 10.0 111.079 -176.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 88.7 p -92.19 -3.56 0.1 OUTLIER Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 119.776 3.25 . . . . 10.0 119.776 175.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -67.38 -20.3 48.6 Favored 'Trans proline' 0 C--N 1.354 0.86 0 CA-C-N 125.48 2.993 . . . . 10.0 112.731 -174.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 73.3 p -90.14 -36.53 14.77 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 118.902 0.774 . . . . 10.0 112.206 168.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.07 -28.79 69.33 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.52 1.055 . . . . 10.0 111.746 170.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.44 -25.28 65.86 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 128.089 2.555 . . . . 10.0 113.15 169.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -89.7 -60.44 1.94 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 121.988 0.899 . . . . 10.0 109.658 169.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.71 -37.46 19.36 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 118.759 2.874 . . . . 10.0 118.759 -166.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.44 -34.84 31.24 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.693 0.679 . . . . 10.0 109.422 175.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.75 -59.41 5.07 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.494 1.118 . . . . 10.0 110.615 170.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 37.8 ptt85 -59.43 -33.22 70.99 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-N 120.448 1.476 . . . . 10.0 112.139 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 13.7 m -65.05 -22.38 66.97 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.815 1.646 . . . . 10.0 114.781 178.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.42 -12.51 9.85 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.993 1.27 . . . . 10.0 113.67 172.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -65.89 -38.03 87.69 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 106.721 -1.585 . . . . 10.0 106.721 167.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 11.6 p -72.88 136.81 79.8 Favored Pre-proline 0 CA--C 1.551 0.989 0 N-CA-C 104.973 -2.232 . . . . 10.0 104.973 167.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -74.71 152.36 42.24 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 N-CA-C 115.928 1.472 . . . . 10.0 115.928 -168.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 8.9 m -51.85 -2.2 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 129.912 3.285 . . . . 10.0 116.542 -176.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.3 t -71.89 -74.86 0.13 Allowed Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 120.19 1.359 . . . . 10.0 110.539 177.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -67.87 -28.72 35.84 Favored 'Trans proline' 0 C--N 1.352 0.738 0 CA-C-N 121.611 1.611 . . . . 10.0 111.534 169.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -74.48 -0.02 16.17 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.094 1.146 . . . . 10.0 114.094 -177.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -51.03 -35.05 32.29 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.65 1.58 . . . . 10.0 112.47 169.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -69.71 162.68 27.27 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.907 1.283 . . . . 10.0 112.738 -170.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -52.8 -2.55 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 128.637 2.775 . . . . 10.0 115.957 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.53 -24.09 66.39 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 120.67 1.577 . . . . 10.0 112.805 172.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.61 -52.69 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 107.825 -1.176 . . . . 10.0 107.825 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.32 -41.52 84.72 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.873 1.269 . . . . 10.0 110.858 -173.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -60.18 -31.98 70.63 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.262 1.025 . . . . 10.0 113.616 175.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 62.9 mt -89.87 -42.32 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 119.743 1.156 . . . . 10.0 110.394 176.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 mt -40.35 -52.51 2.69 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.808 2.443 . . . . 10.0 112.225 172.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -56.93 -19.91 20.56 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.02 1.118 . . . . 10.0 114.02 -177.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 84.8 p -78.73 -16.84 56.74 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.805 1.409 . . . . 10.0 114.805 -177.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -122.03 102.79 40.32 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 108.141 -1.059 . . . . 10.0 108.141 171.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -59.93 -37.63 84.22 Favored 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 123.443 2.762 . . . . 10.0 112.944 -176.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -64.62 -48.32 75.33 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.307 1.043 . . . . 10.0 110.147 176.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -40.36 95.39 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.424 1.089 . . . . 10.0 110.09 177.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -51.52 69.6 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.074 0.95 . . . . 10.0 112.099 173.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.94 96.52 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 119.19 -0.433 . . . . 10.0 111.704 175.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.61 -36.77 83.84 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 123.652 0.781 . . . . 10.0 112.173 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -62.17 -60.56 3.42 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.778 1.231 . . . . 10.0 108.601 169.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 82.7 mt -48.03 -43.99 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 120.602 1.546 . . . . 10.0 111.966 176.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -67.94 -60.25 2.65 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 113.752 1.019 . . . . 10.0 113.752 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -24.89 66.16 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.937 1.244 . . . . 10.0 111.902 -175.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -71.18 -51.2 26.17 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.135 1.374 . . . . 10.0 112.269 169.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 14.9 p -54.09 -44.43 71.2 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.615 0.643 . . . . 10.0 111.307 172.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.52 -53.28 59.37 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.303 1.841 . . . . 10.0 113.295 173.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -43.34 -52.04 6.05 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.872 1.669 . . . . 10.0 110.612 171.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -63.89 -61.33 2.35 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 117.036 -1.459 . . . . 10.0 111.966 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 32.5 m . . . . . 0 N--CA 1.481 1.114 0 CA-C-N 120.926 1.694 . . . . 10.0 113.765 -174.682 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.429 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 30.7 tp10 . . . . . 0 C--O 1.217 -0.648 0 CA-C-O 118.208 -0.901 . . . . 10.0 111.005 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -46.05 91.93 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.137 0.881 . . . . 10.0 112.445 -174.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.77 -38.09 85.9 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 118.357 -0.83 . . . . 10.0 112.28 175.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 6' ' ' GLU 0.405 0.0 OUTLIER -76.88 -34.85 57.75 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.675 1.125 . . . . 10.0 111.612 -179.731 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.5 tp -54.52 -46.69 73.58 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 128.063 2.545 . . . . 10.0 109.474 169.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -56.44 -56.53 20.08 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 113.87 1.063 . . . . 10.0 113.87 173.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -65.33 -24.72 67.34 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.695 0.998 . . . . 10.0 113.695 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.4 tp -79.74 -41.32 26.91 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.064 0.847 . . . . 10.0 112.075 178.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -70.09 -29.45 66.43 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.271 1.396 . . . . 10.0 111.451 171.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.9 m -60.81 -55.71 29.87 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.226 1.011 . . . . 10.0 110.652 169.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tp -48.32 -51.59 25.38 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 123.991 0.916 . . . . 10.0 110.755 174.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.433 ' HA ' ' CD2' ' B' ' 64' ' ' LEU . 10.7 mt -65.24 -18.42 65.3 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 115.173 1.545 . . . . 10.0 115.173 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 m -126.17 14.88 7.84 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.391 0.996 . . . . 10.0 112.86 -169.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -56.05 -7.84 0.39 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 130.742 3.617 . . . . 10.0 116.576 -169.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.1 p 115.94 -17.92 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.25 1 C-N-CA 134.443 5.097 . . . . 10.0 112.585 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -63.42 153.97 33.6 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-O 123.13 1.443 . . . . 10.0 113.199 171.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.51 1.28 1.04 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.773 2.029 . . . . 10.0 113.12 169.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 m -47.08 -59.94 2.8 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 115.898 1.814 . . . . 10.0 115.898 -168.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.77 -14.26 14.38 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 123.221 0.439 . . . . 10.0 112.374 169.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.0 mt -57.42 -26.67 61.49 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 117.9 -1.048 . . . . 10.0 112.404 169.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -46.79 -37.34 8.45 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 117.954 -1.022 . . . . 10.0 111.874 169.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.1 -53.42 55.71 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 119.539 1.063 . . . . 10.0 112.749 175.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.9 mm -69.26 -29.56 42.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 N-CA-C 108.514 -0.921 . . . . 10.0 108.514 -174.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.59 -53.31 29.2 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.77 1.228 . . . . 10.0 110.997 171.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.6 ptt85 -63.18 -37.19 86.26 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.046 1.293 . . . . 10.0 112.528 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.13 -20.02 37.15 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.835 1.254 . . . . 10.0 113.463 172.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.1 mt -117.94 12.85 13.86 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.783 1.633 . . . . 10.0 111.821 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.99 9.14 52.88 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.579 1.561 . . . . 10.0 115.985 176.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.2 mt -50.84 -45.8 87.06 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-O 117.224 -1.37 . . . . 10.0 113.924 -169.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -58.13 -21.19 49.96 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 122.924 2.416 . . . . 10.0 114.847 175.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -90.62 -32.15 16.37 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.206 0.912 . . . . 10.0 111.806 169.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.6 mt -60.65 -28.14 68.34 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.867 1.212 . . . . 10.0 112.126 170.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.6 t . . . . . 0 N--CA 1.468 0.453 0 C-N-CA 126.431 1.892 . . . . 10.0 109.964 168.674 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 86.6 p . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 106.323 -1.732 . . . . 10.0 106.323 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -90.59 -5.07 10.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 124.35 1.06 . . . . 10.0 112.366 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 71.9 p -116.54 12.18 0.07 OUTLIER Pre-proline 0 N--CA 1.478 0.934 0 N-CA-C 118.25 2.685 . . . . 10.0 118.25 176.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -65.31 -19.91 61.93 Favored 'Trans proline' 0 CA--C 1.548 1.18 0 CA-C-N 125.47 2.989 . . . . 10.0 112.777 175.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.5 p -80.1 -55.03 5.23 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 127.004 2.122 . . . . 10.0 110.91 169.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.81 -26.09 61.49 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.544 1.538 . . . . 10.0 113.616 173.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.06 -30.49 66.22 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 127.657 2.383 . . . . 10.0 112.093 169.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -90.67 -60.11 2.0 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.409 0.684 . . . . 10.0 109.251 169.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . 0.41 ' CG ' HH21 ' B' ' 62' ' ' ARG . 0.9 OUTLIER -80.09 -40.72 26.98 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 117.194 2.294 . . . . 10.0 117.194 -168.476 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 tt -74.95 -38.74 61.65 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.0 -1.111 . . . . 10.0 108.0 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 27.9 tp -53.74 -53.92 45.39 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 124.526 1.131 . . . . 10.0 109.959 169.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.41 HH21 ' CG ' ' B' ' 59' ' ' ASP . 16.3 ttp85 -52.57 -48.67 66.05 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.993 1.717 . . . . 10.0 112.126 171.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.98 -20.95 57.46 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 127.395 2.278 . . . . 10.0 115.41 -178.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -117.14 -20.34 9.31 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.686 1.365 . . . . 10.0 114.686 171.392 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -58.4 -39.1 78.78 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 107.337 -1.357 . . . . 10.0 107.337 167.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 6.3 p -73.63 108.76 5.25 Favored Pre-proline 0 CA--C 1.55 0.966 0 N-CA-C 102.491 -3.152 . . . . 10.0 102.491 166.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.86 148.06 69.3 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 122.43 2.087 . . . . 10.0 117.266 -167.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 10.3 p -55.81 -26.33 45.85 Favored 'General case' 0 C--O 1.219 -0.543 0 C-N-CA 125.039 1.336 . . . . 10.0 113.724 -173.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 40.5 t -49.7 -67.88 0.4 Allowed Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.058 1.343 . . . . 10.0 112.703 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.99 -23.18 25.49 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 CA-C-N 121.714 1.648 . . . . 10.0 112.869 169.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -90.17 15.04 11.01 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.937 1.829 . . . . 10.0 115.937 -171.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -46.56 -27.29 1.08 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 128.739 2.815 . . . . 10.0 115.643 175.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -64.27 165.31 9.68 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 122.961 1.362 . . . . 10.0 112.942 -175.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -55.54 -1.65 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.292 2.237 . . . . 10.0 115.193 173.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -55.26 -31.82 61.85 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 120.059 1.299 . . . . 10.0 114.193 172.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.53 -51.11 49.95 Favored 'Isoleucine or valine' 0 C--N 1.348 0.5 0 N-CA-C 107.8 -1.185 . . . . 10.0 107.8 173.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.06 -37.97 81.44 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.995 0.918 . . . . 10.0 110.504 -173.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -64.07 -28.38 69.74 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 124.896 1.278 . . . . 10.0 114.05 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.3 mt -90.5 -43.33 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 119.986 1.266 . . . . 10.0 110.056 172.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 6.0 mt -40.29 -56.74 1.9 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.924 2.49 . . . . 10.0 112.674 173.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -13.22 21.78 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.491 1.293 . . . . 10.0 114.491 -172.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 83.3 p -76.78 -21.52 55.05 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.205 1.187 . . . . 10.0 114.205 175.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -117.2 100.87 53.26 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 119.61 1.095 . . . . 10.0 109.816 173.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -57.61 -40.61 78.8 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.491 2.794 . . . . 10.0 113.291 -175.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -74.04 -38.38 64.01 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 118.116 -0.945 . . . . 10.0 112.335 -178.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.05 -36.96 86.0 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 124.293 1.037 . . . . 10.0 109.473 170.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -51.51 69.22 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 119.722 1.146 . . . . 10.0 112.703 172.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.51 97.7 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.624 0.647 . . . . 10.0 112.26 175.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.71 87.79 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 118.224 -0.893 . . . . 10.0 112.688 175.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -57.29 -60.96 2.84 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 125.239 1.416 . . . . 10.0 108.418 169.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 91.8 mt -51.15 -51.12 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 118.733 0.697 . . . . 10.0 110.952 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -61.0 -60.1 4.32 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 124.142 0.977 . . . . 10.0 112.4 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -32.45 72.99 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 117.163 -1.399 . . . . 10.0 110.383 -174.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -60.82 -48.08 83.41 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 121.864 2.12 . . . . 10.0 110.471 169.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 3.1 m -58.31 -45.8 87.33 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.248 0.476 . . . . 10.0 111.591 176.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.82 92.15 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.763 1.225 . . . . 10.0 112.716 173.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -47.67 65.65 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 125.189 1.396 . . . . 10.0 110.11 173.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -58.14 -60.43 3.76 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 118.613 0.642 . . . . 10.0 111.62 176.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 32.8 m . . . . . 0 N--CA 1.479 0.98 0 CA-C-N 119.671 1.123 . . . . 10.0 113.647 -175.952 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 . . . . . 0 N--CA 1.468 0.435 0 CA-C-O 118.389 -0.815 . . . . 10.0 111.82 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -67.05 -48.0 69.61 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 118.913 -1.115 . . . . 10.0 110.349 -170.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.76 95.76 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 118.459 -0.782 . . . . 10.0 112.767 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . 0.35 0.0 OUTLIER -77.08 -32.6 56.8 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.803 1.183 . . . . 10.0 110.696 -179.482 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 tp -61.55 -47.73 84.21 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 119.602 1.092 . . . . 10.0 111.04 169.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.417 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 42.5 m-20 -57.68 -52.34 65.82 Favored 'General case' 0 C--O 1.241 0.605 0 N-CA-C 112.894 0.701 . . . . 10.0 112.894 173.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -29.17 68.21 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 118.947 0.794 . . . . 10.0 113.073 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -74.29 -46.35 41.82 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 117.041 -1.457 . . . . 10.0 110.956 174.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.417 ' CD2' ' HA ' ' A' ' 11' ' ' ASP . 3.4 p80 -67.43 -28.51 67.95 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 121.459 1.936 . . . . 10.0 111.376 178.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.8 m -60.38 -57.54 12.34 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.953 0.901 . . . . 10.0 109.642 169.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 tp -50.27 -55.28 16.05 Favored 'General case' 0 C--O 1.23 0.062 0 CA-C-N 118.636 0.653 . . . . 10.0 111.533 173.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.418 ' HG ' ' CD1' ' B' ' 90' ' ' PHE . 4.5 tp -67.78 -10.53 53.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.261 1.424 . . . . 10.0 112.807 -172.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.6 p -133.65 6.58 3.76 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 116.086 1.884 . . . . 10.0 116.086 -177.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.7 p30 -39.73 0.92 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.071 1 C-N-CA 135.655 5.582 . . . . 10.0 121.221 -168.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.0 p 116.7 -25.7 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.295 1 C-N-CA 132.668 4.387 . . . . 10.0 112.367 176.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.47 161.13 12.33 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 123.623 1.678 . . . . 10.0 112.995 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.24 -9.58 1.13 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 127.08 2.152 . . . . 10.0 112.749 169.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.8 m -51.21 -43.47 61.42 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 126.158 1.783 . . . . 10.0 115.336 -169.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.93 -18.67 3.83 Favored Glycine 0 CA--C 1.536 1.348 0 CA-C-O 119.252 -0.749 . . . . 10.0 113.189 169.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.43 -27.04 67.18 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.276 1.038 . . . . 10.0 112.761 169.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -40.6 -54.34 2.56 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.164 1.786 . . . . 10.0 113.711 170.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -62.66 -42.31 99.54 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 126.173 1.789 . . . . 10.0 112.648 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.5 mm -63.99 -41.36 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 118.101 0.409 . . . . 10.0 110.928 170.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -64.43 -48.8 73.98 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.094 0.958 . . . . 10.0 110.918 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.4 ptt85 -66.0 -34.6 78.47 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 117.952 -1.023 . . . . 10.0 112.928 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.57 -19.94 42.54 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.532 1.06 . . . . 10.0 112.942 170.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.8 mt -117.15 14.2 14.85 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.247 1.819 . . . . 10.0 112.049 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.38 13.43 43.81 Favored Glycine 0 CA--C 1.535 1.321 0 N-CA-C 115.858 1.103 . . . . 10.0 115.858 177.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.7 mt -58.53 -41.13 87.46 Favored Pre-proline 0 N--CA 1.475 0.785 0 CA-C-N 119.258 1.529 . . . . 10.0 113.536 -169.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -58.83 -26.94 82.46 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.524 2.149 . . . . 10.0 114.77 169.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -44.18 34.14 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.013 -1.054 . . . . 10.0 110.622 169.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.1 mt -51.32 -33.65 30.09 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.721 0.691 . . . . 10.0 112.151 170.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.5 t . . . . . 0 CA--C 1.544 0.726 0 C-N-CA 123.515 0.726 . . . . 10.0 110.474 169.033 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 59.6 m . . . . . 0 CA--C 1.531 0.227 0 N-CA-C 104.581 -2.378 . . . . 10.0 104.581 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.88 8.16 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 O-C-N 121.259 -0.9 . . . . 10.0 112.143 -173.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 11.7 p -131.28 5.8 0.04 OUTLIER Pre-proline 0 CA--C 1.554 1.118 0 N-CA-C 117.805 2.52 . . . . 10.0 117.805 -175.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -65.19 -18.02 60.1 Favored 'Trans proline' 0 C--N 1.355 0.904 0 CA-C-N 125.405 2.966 . . . . 10.0 113.07 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 15.7 p -77.46 -49.32 15.05 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 126.071 1.748 . . . . 10.0 111.169 169.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.05 -30.29 67.93 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.997 1.319 . . . . 10.0 112.369 171.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 29.6 tp -57.31 -22.77 44.25 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.83 1.252 . . . . 10.0 111.883 169.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -91.42 -60.02 1.99 Allowed 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.012 0.823 . . . . 10.0 109.314 169.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.02 -39.22 19.9 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 117.794 2.516 . . . . 10.0 117.794 -168.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 tp -76.72 -33.43 58.18 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.583 -0.698 . . . . 10.0 110.258 175.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 tp -57.89 -59.91 4.52 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 117.369 -1.3 . . . . 10.0 110.807 171.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 50.2 ptt85 -55.81 -35.34 66.22 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 120.899 1.681 . . . . 10.0 112.506 176.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 8.8 m -66.19 -25.16 66.8 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.951 2.1 . . . . 10.0 113.89 -176.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.43 -21.26 10.96 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.042 1.337 . . . . 10.0 112.191 175.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.21 -29.79 70.63 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.878 -1.058 . . . . 10.0 110.724 168.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 6.9 p -84.27 110.96 30.17 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 102.585 -3.117 . . . . 10.0 102.585 166.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -65.79 170.74 10.88 Favored 'Trans proline' 0 C--N 1.35 0.611 0 N-CA-C 115.668 1.372 . . . . 10.0 115.668 -169.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 3.0 m -50.71 -18.68 0.76 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 128.293 2.637 . . . . 10.0 115.371 -170.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 56.4 p -49.03 114.46 3.82 Favored Pre-proline 0 CA--C 1.529 0.143 0 C-N-CA 127.034 2.134 . . . . 10.0 108.431 168.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . 0.343 1.7 Cg_exo 42.13 -10.26 0.0 OUTLIER 'Trans proline' 0 CA--C 1.544 1.023 1 C-N-CA 125.754 4.303 . . . . 10.0 121.037 -167.896 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -72.53 -10.38 59.73 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.063 1.745 . . . . 10.0 112.277 169.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -43.92 -12.64 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 130.67 3.588 . . . . 10.0 118.902 175.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.89 -174.49 2.59 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.539 1.311 . . . . 10.0 114.539 -169.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -48.31 -14.8 0.06 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 128.513 2.725 . . . . 10.0 116.948 -169.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -24.63 65.57 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 123.313 2.779 . . . . 10.0 113.324 169.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -70.61 -54.6 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 120.468 1.485 . . . . 10.0 107.729 169.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -35.96 74.65 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.283 1.433 . . . . 10.0 112.232 -172.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -65.14 -33.29 75.67 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 125.431 1.492 . . . . 10.0 112.81 176.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 29.7 mt -86.38 -45.6 16.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 119.735 1.152 . . . . 10.0 109.232 175.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.5 mt -39.37 -53.88 1.94 Allowed 'General case' 0 C--N 1.355 0.805 0 C-N-CA 127.933 2.493 . . . . 10.0 112.37 175.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -59.19 -19.89 49.18 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.747 1.388 . . . . 10.0 114.747 -176.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 63.3 p -78.04 -9.23 59.03 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 113.923 1.083 . . . . 10.0 113.923 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -129.87 75.22 79.86 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 119.048 0.84 . . . . 10.0 110.514 -171.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -41.41 -56.59 1.74 Allowed 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 125.179 3.92 . . . . 10.0 115.731 -169.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -61.6 -42.48 98.93 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.43 0.9 . . . . 10.0 113.43 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.0 -41.47 98.1 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.37 1.068 . . . . 10.0 110.88 173.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -53.74 54.88 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.353 0.661 . . . . 10.0 111.108 175.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.7 95.08 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.043 0.386 . . . . 10.0 112.043 175.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.26 98.56 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 118.499 -0.762 . . . . 10.0 112.867 175.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . 0.418 ' CD1' ' HG ' ' A' ' 17' ' ' LEU . 68.3 t80 -56.95 -58.83 6.44 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 117.182 -1.389 . . . . 10.0 108.736 169.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 77.9 mt -48.85 -58.55 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 119.702 1.137 . . . . 10.0 110.282 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.436 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.0 OUTLIER -54.77 -57.25 12.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.649 1.179 . . . . 10.0 112.146 -179.131 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -36.58 81.65 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 118.183 -0.913 . . . . 10.0 111.503 -176.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -55.28 -50.0 70.67 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 120.656 1.571 . . . . 10.0 110.592 169.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -57.98 -44.19 86.96 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.149 0.886 . . . . 10.0 111.67 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.89 -44.71 95.35 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.188 0.995 . . . . 10.0 112.538 176.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -44.66 73.56 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.396 1.478 . . . . 10.0 110.515 172.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -59.11 -59.24 5.79 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-O 118.275 -0.869 . . . . 10.0 111.826 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 21.2 m . . . . . 0 CA--C 1.545 0.786 0 CA-C-N 119.466 1.03 . . . . 10.0 113.472 -178.228 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 118.653 -0.689 . . . . 10.0 112.418 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.71 -42.73 67.0 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 119.449 -0.9 . . . . 10.0 111.5 -172.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.56 95.06 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 118.694 -0.67 . . . . 10.0 112.167 175.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . 0.381 0.0 OUTLIER -72.62 -39.58 67.15 Favored 'General case' 0 C--N 1.348 0.523 0 CA-C-O 118.113 -0.946 . . . . 10.0 110.755 179.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.0 tp -54.81 -48.76 72.36 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.889 1.676 . . . . 10.0 110.575 171.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.411 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 42.3 m-20 -58.21 -55.1 39.37 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 113.439 0.903 . . . . 10.0 113.439 175.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -64.53 -29.37 70.4 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-N 119.468 1.031 . . . . 10.0 113.286 177.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.8 tp -75.96 -41.31 51.81 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 117.931 -1.033 . . . . 10.0 111.403 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.411 ' CD2' ' HA ' ' A' ' 11' ' ' ASP . 5.7 p80 -69.92 -32.57 70.92 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 120.418 1.463 . . . . 10.0 111.542 174.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.8 m -66.54 -31.12 71.63 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 118.482 -0.77 . . . . 10.0 112.403 172.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tp -70.35 -59.77 2.67 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 120.472 1.487 . . . . 10.0 109.923 168.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.1 tp -65.47 -8.22 18.17 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.564 1.546 . . . . 10.0 113.256 -169.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.9 t -143.25 30.33 1.41 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.418 1.487 . . . . 10.0 112.89 169.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -40.88 -51.38 3.18 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.449 1.5 . . . . 10.0 112.316 176.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.1 p -154.47 -82.07 0.08 Allowed 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 128.955 2.902 . . . . 10.0 106.799 169.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -151.88 179.85 8.09 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.097 1.359 . . . . 10.0 110.82 177.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.75 163.45 29.58 Favored 'General case' 0 N--CA 1.435 -1.22 0 C-N-CA 127.09 2.156 . . . . 10.0 109.323 168.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 p -59.25 -34.38 72.15 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 130.248 3.419 . . . . 10.0 112.56 174.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.97 -49.32 5.09 Favored Glycine 0 C--N 1.336 0.581 0 N-CA-C 111.425 -0.67 . . . . 10.0 111.425 170.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.9 mt -35.38 -52.9 0.64 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 125.829 1.651 . . . . 10.0 114.6 170.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -57.08 -40.8 77.63 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 121.371 1.896 . . . . 10.0 113.756 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -67.86 -49.22 63.33 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 119.179 0.899 . . . . 10.0 111.303 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.1 mm -57.73 -35.17 49.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 122.785 0.434 . . . . 10.0 111.21 177.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -66.23 -53.6 35.09 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.759 1.224 . . . . 10.0 110.541 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.5 ptt85 -64.84 -32.86 74.76 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.054 -1.029 . . . . 10.0 113.273 176.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.18 -20.13 63.83 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.546 1.138 . . . . 10.0 113.249 170.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.0 mt -110.68 14.91 22.25 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.107 1.763 . . . . 10.0 111.792 172.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.86 12.22 47.22 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 125.306 1.432 . . . . 10.0 115.177 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.0 mt -55.56 -45.74 99.83 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 118.776 1.288 . . . . 10.0 113.368 -169.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -56.72 -19.72 31.96 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.174 2.583 . . . . 10.0 115.201 171.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.9 -41.14 13.4 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 119.23 0.923 . . . . 10.0 110.979 169.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.5 mt -54.41 -28.72 45.69 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 170.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.7 t . . . . . 0 N--CA 1.473 0.679 0 C-N-CA 126.348 1.859 . . . . 10.0 109.823 169.385 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 CA--C 1.534 0.354 0 N-CA-C 103.803 -2.666 . . . . 10.0 103.803 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . 0.525 ' H ' HD11 ' B' ' 52' ' ' ILE . 0.0 OUTLIER -89.79 -1.45 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.27 1.428 . . . . 10.0 113.715 -169.41 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 8.9 p -124.82 4.94 0.05 OUTLIER Pre-proline 0 CA--C 1.551 0.999 0 N-CA-C 118.441 2.756 . . . . 10.0 118.441 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -66.22 -14.51 44.61 Favored 'Trans proline' 0 CA--C 1.548 1.207 0 CA-C-N 125.596 3.034 . . . . 10.0 114.309 178.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 13.3 p -80.6 -53.07 6.88 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.957 1.703 . . . . 10.0 109.686 169.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.3 -26.6 66.64 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 124.316 1.046 . . . . 10.0 112.405 173.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 25.2 tp -55.17 -29.59 58.15 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 126.317 1.847 . . . . 10.0 110.928 169.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -89.64 -58.97 2.34 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.157 0.983 . . . . 10.0 109.462 170.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -82.23 -40.06 22.18 Favored 'General case' 0 C--N 1.344 0.357 0 N-CA-C 117.811 2.523 . . . . 10.0 117.811 -168.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 tp -74.95 -29.55 60.96 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 120.475 1.489 . . . . 10.0 110.262 175.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 15.0 tp -63.66 -59.47 4.55 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 118.164 -0.922 . . . . 10.0 110.028 169.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.81 -32.8 67.93 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 120.261 1.391 . . . . 10.0 112.129 175.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 5.8 m -60.75 -23.3 64.84 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.089 1.756 . . . . 10.0 115.652 178.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.17 -23.89 8.77 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 114.175 1.176 . . . . 10.0 114.175 170.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -64.52 -37.74 88.59 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.838 0.744 . . . . 10.0 111.031 168.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 58.1 p -77.87 108.42 7.33 Favored Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 103.498 -2.778 . . . . 10.0 103.498 168.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.45 143.76 53.74 Favored 'Trans proline' 0 CA--C 1.511 -0.634 0 C-N-CA 122.351 2.034 . . . . 10.0 116.399 -168.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 4.9 m -67.36 39.77 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 129.066 2.946 . . . . 10.0 114.792 -173.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -87.06 -76.69 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.708 0 C-N-CA 126.418 1.887 . . . . 10.0 108.766 169.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.46 -30.83 6.14 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 CA-C-N 122.952 2.09 . . . . 10.0 109.66 168.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -65.87 1.43 1.38 Allowed 'General case' 0 C--N 1.349 0.581 0 C-N-CA 125.657 1.583 . . . . 10.0 114.612 170.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -56.84 -36.27 69.8 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.188 1.181 . . . . 10.0 114.188 -177.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -78.37 -177.89 5.46 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 123.251 1.5 . . . . 10.0 114.157 -168.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -54.78 -0.86 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 128.954 2.901 . . . . 10.0 114.955 -174.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -58.03 -27.86 63.94 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 120.5 1.5 . . . . 10.0 112.17 169.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.97 -54.68 20.71 Favored 'Isoleucine or valine' 0 C--N 1.347 0.457 0 N-CA-C 107.973 -1.121 . . . . 10.0 107.973 170.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -37.05 76.86 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.58 1.152 . . . . 10.0 112.854 -175.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -63.71 -32.59 74.12 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.481 1.913 . . . . 10.0 113.768 175.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 13.5 mt -90.03 -41.92 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 119.537 1.062 . . . . 10.0 109.342 174.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.2 mt -39.81 -58.38 1.37 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.378 2.271 . . . . 10.0 112.034 173.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -11.13 46.11 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.87 1.433 . . . . 10.0 114.87 -173.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 52.4 p -78.85 -9.95 59.64 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 124.601 1.16 . . . . 10.0 113.617 173.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -125.39 85.34 58.64 Favored Pre-proline 0 CA--C 1.535 0.397 0 C-N-CA 123.812 0.845 . . . . 10.0 108.751 -172.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -50.07 -52.12 9.56 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 123.581 2.854 . . . . 10.0 114.631 -169.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -45.95 85.37 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.035 0.934 . . . . 10.0 112.421 178.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.56 -34.46 75.86 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.822 0.849 . . . . 10.0 111.607 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 4.6 ttt -63.51 -46.65 85.12 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.51 1.05 . . . . 10.0 110.601 172.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.83 -43.87 94.93 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.401 -0.812 . . . . 10.0 112.098 174.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.25 -36.37 83.44 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.307 0.643 . . . . 10.0 112.363 176.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . 0.404 ' CE1' ' HD3' ' B' ' 94' ' ' ARG . 68.1 t80 -59.32 -60.56 3.67 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 124.737 1.215 . . . . 10.0 108.444 169.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 91.8 mt -51.6 -47.12 37.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 118.837 0.744 . . . . 10.0 110.566 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -61.4 -60.25 4.01 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.097 0.959 . . . . 10.0 113.094 177.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -66.02 -39.98 90.67 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 117.57 -1.205 . . . . 10.0 110.143 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . 0.404 ' HD3' ' CE1' ' B' ' 90' ' ' PHE . 12.0 mmm180 -51.04 -49.31 60.79 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 120.647 1.567 . . . . 10.0 111.105 172.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.8 m -63.13 -44.68 94.9 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 118.575 -0.726 . . . . 10.0 111.773 175.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.72 87.72 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.299 1.439 . . . . 10.0 113.099 176.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 14.9 tptp -50.49 -57.45 8.05 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.625 1.97 . . . . 10.0 107.486 169.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -57.74 -57.5 12.46 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 117.344 -1.312 . . . . 10.0 113.348 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 31.3 m . . . . . 0 N--CA 1.481 1.107 0 CA-C-N 121.013 1.733 . . . . 10.0 113.787 -170.286 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.519 -0.241 0 N-CA-C 112.485 0.55 . . . . 10.0 112.485 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -64.26 -39.54 94.14 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 120.26 -0.576 . . . . 10.0 111.92 -177.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.14 85.88 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.666 1.187 . . . . 10.0 112.424 174.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . 0.37 0.0 OUTLIER -73.04 -33.28 65.6 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.631 1.105 . . . . 10.0 111.088 -178.187 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.8 tp -61.87 -47.2 86.08 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.072 1.349 . . . . 10.0 111.052 168.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -57.53 -53.37 58.93 Favored 'General case' 0 C--N 1.345 0.379 0 N-CA-C 112.791 0.663 . . . . 10.0 112.791 176.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -62.32 -32.9 73.73 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 118.717 -0.658 . . . . 10.0 112.584 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tp -75.13 -43.16 54.2 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.775 0.716 . . . . 10.0 111.727 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -71.97 -28.59 63.53 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 119.965 1.257 . . . . 10.0 111.735 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.2 m -63.62 -51.4 65.38 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.885 0.874 . . . . 10.0 109.982 169.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tp -51.91 -48.62 64.1 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.339 -0.839 . . . . 10.0 111.914 174.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.31 -24.47 67.66 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.362 1.245 . . . . 10.0 114.362 176.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -117.17 12.9 14.58 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.502 1.297 . . . . 10.0 114.502 -167.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -53.17 -6.81 0.07 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 131.364 3.866 . . . . 10.0 117.17 -170.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.254 46.4 p 116.28 -17.74 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.633 1 C-N-CA 134.114 4.965 . . . . 10.0 112.766 -178.912 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -63.38 154.74 31.0 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 120.987 1.721 . . . . 10.0 112.99 173.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.49 -2.56 0.86 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 127.679 2.392 . . . . 10.0 112.956 169.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.6 m -51.14 -47.43 62.06 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.938 1.695 . . . . 10.0 115.22 -168.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.24 -24.74 3.74 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 123.788 0.709 . . . . 10.0 112.652 170.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.0 mt -52.36 -36.9 54.86 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 124.609 1.163 . . . . 10.0 112.248 171.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -48.43 -41.96 30.87 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 124.298 1.039 . . . . 10.0 113.028 177.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -68.19 -46.68 70.01 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.458 1.026 . . . . 10.0 111.212 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.6 mt -60.68 -35.8 66.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 125.447 1.499 . . . . 10.0 111.299 175.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -67.08 -53.35 31.7 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.168 1.787 . . . . 10.0 110.271 177.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -68.55 -27.25 65.92 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 118.255 -0.878 . . . . 10.0 113.111 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.41 -19.94 63.96 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 119.736 1.153 . . . . 10.0 112.727 169.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.2 mt -110.48 15.85 21.91 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.873 2.069 . . . . 10.0 112.433 170.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.77 9.92 53.6 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 126.651 2.072 . . . . 10.0 114.908 173.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.6 mt -53.52 -44.38 97.55 Favored Pre-proline 0 CA--C 1.548 0.886 0 CA-C-O 117.343 -1.313 . . . . 10.0 113.971 -169.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -56.93 -19.64 32.94 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.241 2.627 . . . . 10.0 115.869 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.17 -39.65 13.42 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 119.076 0.853 . . . . 10.0 111.0 170.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.4 mt -54.86 -30.67 58.37 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.847 0.859 . . . . 10.0 111.686 171.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.471 0.585 0 C-N-CA 126.348 1.859 . . . . 10.0 110.229 169.096 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 105.595 -2.002 . . . . 10.0 105.595 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . 0.472 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.8 OUTLIER -89.84 -13.85 9.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-O 120.818 0.342 . . . . 10.0 110.548 -174.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 16.0 p -119.04 13.54 0.07 OUTLIER Pre-proline 0 CA--C 1.549 0.923 0 N-CA-C 117.335 2.346 . . . . 10.0 117.335 -175.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -72.14 -17.12 28.26 Favored 'Trans proline' 0 CA--C 1.548 1.181 0 CA-C-N 124.506 2.645 . . . . 10.0 112.508 -176.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 49.9 p -81.04 -49.14 11.28 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.693 1.197 . . . . 10.0 111.298 169.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.45 -29.07 65.88 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.505 1.522 . . . . 10.0 112.128 171.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 33.4 tp -55.43 -27.68 49.48 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.848 2.059 . . . . 10.0 111.956 169.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.75 -60.41 1.92 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.959 0.904 . . . . 10.0 109.221 168.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.47 -47.32 34.01 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 116.894 2.183 . . . . 10.0 116.894 -168.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.1 tp -73.77 -36.86 65.13 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.849 0.749 . . . . 10.0 109.658 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 21.5 tp -57.2 -55.01 40.25 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 124.43 1.092 . . . . 10.0 111.17 171.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 12.6 ttp85 -55.89 -47.61 77.11 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.987 1.715 . . . . 10.0 111.944 172.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' THR . . . . . 0.41 HG22 HE21 ' B' ' 75' ' ' GLN . 16.1 m -53.5 -55.77 22.64 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.215 1.406 . . . . 10.0 112.533 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.1 -24.14 58.06 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.223 0.823 . . . . 10.0 113.223 177.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -60.58 -42.16 96.14 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.153 0.888 . . . . 10.0 111.082 169.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 9.0 p -68.72 108.31 2.82 Favored Pre-proline 0 CA--C 1.551 1.01 0 N-CA-C 107.738 -1.208 . . . . 10.0 107.738 168.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.39 155.6 45.88 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.127 1.884 . . . . 10.0 116.796 -169.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 4.8 m -55.72 16.95 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 130.856 3.662 . . . . 10.0 118.109 -169.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.1 t -78.08 -86.07 0.02 OUTLIER Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 120.66 1.573 . . . . 10.0 110.756 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -69.84 -14.52 35.93 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 CA-C-N 123.694 2.355 . . . . 10.0 112.206 169.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -78.89 3.49 16.79 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.415 1.886 . . . . 10.0 114.373 173.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -18.4 54.69 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.973 1.709 . . . . 10.0 113.012 169.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -85.77 -170.65 3.2 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.253 1.421 . . . . 10.0 113.513 -170.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -61.35 -7.65 3.18 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 116.285 1.957 . . . . 10.0 116.285 -177.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . 0.41 HE21 HG22 ' B' ' 63' ' ' THR . 1.3 pm0 -67.73 -30.02 69.4 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 121.825 2.102 . . . . 10.0 113.234 -171.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.9 t -66.9 -52.91 39.35 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 108.585 -0.894 . . . . 10.0 108.585 169.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.27 -35.98 78.78 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 121.964 0.888 . . . . 10.0 111.283 -172.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -59.88 -38.57 82.6 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.723 1.609 . . . . 10.0 113.615 172.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 17.7 mt -83.76 -39.5 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 119.552 1.069 . . . . 10.0 109.645 177.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mt -41.52 -60.22 1.38 Allowed 'General case' 0 C--O 1.24 0.557 0 C-N-CA 127.332 2.253 . . . . 10.0 112.322 172.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . 0.28 0.1 OUTLIER -66.27 -7.99 22.02 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.259 1.578 . . . . 10.0 115.259 -178.127 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 32.5 p -84.29 -8.62 58.97 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.903 1.445 . . . . 10.0 114.903 171.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.45 72.73 57.48 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 123.294 0.638 . . . . 10.0 111.1 175.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -49.05 -31.06 19.8 Favored 'Trans proline' 0 N--CA 1.456 -0.701 1 C-N-CA 125.373 4.049 . . . . 10.0 117.217 -175.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.42 -47.19 70.97 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.405 1.457 . . . . 10.0 111.384 174.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.8 -38.21 87.26 Favored 'General case' 0 C--O 1.217 -0.658 0 C-N-CA 124.003 0.921 . . . . 10.0 109.869 170.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 4.9 ttt -60.67 -43.7 97.34 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.389 -0.82 . . . . 10.0 112.809 177.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.61 93.03 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 122.066 -0.396 . . . . 10.0 111.605 172.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.34 -37.02 84.05 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.334 0.864 . . . . 10.0 113.334 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -58.49 -59.51 5.24 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 126.514 1.925 . . . . 10.0 107.478 169.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 65.2 mt -49.81 -52.52 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 CA-C-N 118.503 0.592 . . . . 10.0 110.416 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -60.65 -60.53 3.65 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.757 1.223 . . . . 10.0 112.409 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -30.0 64.65 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 117.016 -1.469 . . . . 10.0 111.165 -173.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -62.62 -44.14 97.04 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 121.699 2.045 . . . . 10.0 110.514 169.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 4.2 m -59.89 -46.02 90.65 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 122.058 -0.401 . . . . 10.0 110.813 175.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.87 87.61 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.889 0.876 . . . . 10.0 112.057 173.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -51.51 26.64 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.991 1.717 . . . . 10.0 110.212 171.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -59.74 -60.08 4.4 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 117.548 -1.215 . . . . 10.0 112.422 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.476 0.858 0 CA-C-N 119.834 1.197 . . . . 10.0 112.894 -173.726 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 . . . . . 0 C--O 1.218 -0.58 0 CA-C-O 117.92 -1.038 . . . . 10.0 112.869 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.99 -39.97 96.36 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.986 1.266 . . . . 10.0 112.298 176.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.46 -40.86 73.45 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.909 0.483 . . . . 10.0 111.64 174.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.9 mt -64.2 -41.55 97.02 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 122.97 0.508 . . . . 10.0 111.794 175.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.13 -48.69 80.66 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 128.376 2.671 . . . . 10.0 110.295 170.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.424 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 51.3 m-20 -57.97 -54.44 46.96 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 118.678 -0.677 . . . . 10.0 112.743 176.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -63.79 -30.22 71.34 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.266 0.939 . . . . 10.0 113.444 177.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.1 tp -75.7 -41.94 52.3 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 118.502 0.592 . . . . 10.0 112.338 176.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 11' ' ' ASP . 1.8 p80 -72.12 -28.15 63.09 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.561 -1.337 . . . . 10.0 110.982 175.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.5 m -65.82 -42.59 90.41 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.909 0.777 . . . . 10.0 110.762 169.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.3 tp -56.15 -49.56 73.62 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 117.598 -1.192 . . . . 10.0 111.188 172.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.72 -23.79 67.36 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-N 120.966 1.712 . . . . 10.0 113.562 173.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.418 ' CB ' HE21 ' B' ' 93' ' ' GLN . 70.6 m -95.0 -10.56 30.56 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 115.361 1.615 . . . . 10.0 115.361 -173.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -41.01 -16.98 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 130.941 3.696 . . . . 10.0 117.99 -169.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.264 57.8 p 120.17 -14.99 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.699 1 C-N-CA 135.691 5.596 . . . . 10.0 111.906 169.661 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -56.45 150.65 14.68 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-O 123.464 1.602 . . . . 10.0 112.544 173.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -142.92 -0.39 1.16 Allowed 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 128.026 2.531 . . . . 10.0 112.085 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.6 m -51.02 -57.56 8.31 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.283 1.401 . . . . 10.0 113.473 -169.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.45 -23.48 6.28 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.99 1.281 . . . . 10.0 110.518 168.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 mt -50.23 -33.27 19.01 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-O 117.662 -1.161 . . . . 10.0 113.917 170.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -48.8 -56.11 9.62 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.531 1.132 . . . . 10.0 112.231 169.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -52.56 -46.01 66.66 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.333 1.453 . . . . 10.0 112.15 175.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.5 mt -62.93 -44.47 99.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 124.374 1.069 . . . . 10.0 110.168 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -62.14 -46.29 89.67 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.37 1.068 . . . . 10.0 110.221 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -61.08 -43.67 98.53 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.157 0.889 . . . . 10.0 111.407 174.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.69 -19.7 41.92 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.782 1.03 . . . . 10.0 113.782 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.5 mt -113.32 15.77 19.16 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.614 1.166 . . . . 10.0 113.162 171.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.74 11.56 66.07 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.7 1.619 . . . . 10.0 114.703 174.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.2 mt -57.24 -44.68 99.8 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 124.693 1.197 . . . . 10.0 113.003 -169.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.27 -26.44 82.62 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.058 1.838 . . . . 10.0 115.444 171.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -77.25 -36.83 54.15 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.231 -0.918 . . . . 10.0 110.861 171.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.03 -34.81 72.33 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.269 0.941 . . . . 10.0 111.18 169.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 N--CA 1.479 1.025 0 C-N-CA 124.793 1.237 . . . . 10.0 111.611 169.915 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.445 -0.697 0 N-CA-C 104.236 -2.505 . . . . 10.0 104.236 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.82 -20.67 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-O 119.206 -0.426 . . . . 10.0 111.145 -170.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 86.5 p -105.13 -9.43 0.12 Allowed Pre-proline 0 C--O 1.212 -0.876 0 N-CA-C 119.47 3.137 . . . . 10.0 119.47 -174.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -60.83 -22.44 73.79 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 CA-C-N 126.313 3.29 . . . . 10.0 115.774 -168.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 17.2 p -80.61 -57.16 3.7 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.02 0.528 . . . . 10.0 110.806 169.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.18 -27.48 63.88 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 125.233 1.413 . . . . 10.0 112.819 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 44.4 tp -58.63 -33.34 69.93 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 128.686 2.794 . . . . 10.0 111.639 171.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -90.27 -59.73 2.11 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.021 0.928 . . . . 10.0 109.918 169.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.33 -41.53 24.64 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 117.922 2.564 . . . . 10.0 117.922 -168.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 tp -72.17 -36.07 69.19 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 120.406 1.457 . . . . 10.0 108.325 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.68 -58.8 6.11 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.005 1.322 . . . . 10.0 110.289 169.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 20.5 ttp85 -47.69 -49.62 27.29 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 126.345 1.858 . . . . 10.0 112.609 170.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.96 -19.85 61.5 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 127.693 2.397 . . . . 10.0 115.319 -177.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.88 -17.2 9.83 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.278 1.214 . . . . 10.0 114.278 170.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -59.07 -37.32 76.8 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 107.649 -1.241 . . . . 10.0 107.649 167.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 7.8 p -79.3 110.45 15.08 Favored Pre-proline 0 CA--C 1.551 1.017 0 N-CA-C 102.098 -3.297 . . . . 10.0 102.098 165.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -67.76 156.42 66.06 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.237 1.958 . . . . 10.0 115.968 -167.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 24.8 p -58.67 -16.15 14.99 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 115.802 1.779 . . . . 10.0 115.802 -168.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.7 t -47.74 -68.17 0.34 Allowed Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 125.545 1.538 . . . . 10.0 113.13 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -81.03 -20.66 7.29 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.132 1.888 . . . . 10.0 111.84 168.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -82.63 69.79 9.48 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.357 1.463 . . . . 10.0 112.323 -173.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -55.95 169.47 0.37 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.511 2.324 . . . . 10.0 114.522 169.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -39.76 70.23 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 115.693 1.738 . . . . 10.0 115.693 -170.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 11.0 pm0 -50.05 -53.02 29.79 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 120.219 1.372 . . . . 10.0 114.068 -169.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -72.3 -33.17 67.21 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 117.819 -1.086 . . . . 10.0 113.782 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -70.24 -54.4 18.85 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 CA-C-N 119.829 1.195 . . . . 10.0 107.966 176.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.97 -36.21 76.63 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.992 1.317 . . . . 10.0 110.034 -173.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -61.42 -34.98 76.29 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 114.431 1.271 . . . . 10.0 114.431 174.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 18.5 mt -90.32 -39.11 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 119.577 1.081 . . . . 10.0 110.584 178.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.3 mt -40.57 -50.79 2.99 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 128.336 2.655 . . . . 10.0 111.966 171.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 35.1 pttt -58.95 -23.66 61.77 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.809 1.04 . . . . 10.0 113.809 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 57.8 p -83.31 -11.86 57.26 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 114.552 1.316 . . . . 10.0 114.552 -173.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -123.38 99.52 39.81 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 105.927 -1.879 . . . . 10.0 105.927 169.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.89 -30.18 17.38 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 123.317 2.678 . . . . 10.0 111.977 -169.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -67.0 -46.44 74.54 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.202 1.001 . . . . 10.0 110.694 172.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.91 -37.87 88.99 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 124.395 1.078 . . . . 10.0 110.082 174.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -52.21 66.44 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.506 1.048 . . . . 10.0 111.338 174.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.03 -43.63 98.6 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.107 0.41 . . . . 10.0 112.107 174.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.39 90.9 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.139 -0.975 . . . . 10.0 112.46 175.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -57.55 -57.55 12.19 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 124.784 1.233 . . . . 10.0 108.276 170.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 95.5 mt -52.8 -58.81 2.16 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 O-C-N 123.393 0.433 . . . . 10.0 110.766 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.504 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.8 OUTLIER -60.84 -53.75 53.56 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 121.478 -0.764 . . . . 10.0 112.769 -176.49 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.418 HE21 ' CB ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -70.7 -38.39 73.66 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 116.018 -1.944 . . . . 10.0 110.746 -175.806 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -56.69 -42.45 79.09 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 122.604 2.457 . . . . 10.0 111.185 170.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 1.9 m -56.93 -44.97 83.02 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.006 0.523 . . . . 10.0 111.859 175.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.63 90.33 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.926 0.89 . . . . 10.0 113.285 172.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -42.96 61.03 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.11 1.764 . . . . 10.0 110.91 173.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -60.69 -60.72 3.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 118.633 -0.699 . . . . 10.0 112.069 173.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 N--CA 1.474 0.772 0 CA-C-N 119.7 1.136 . . . . 10.0 113.408 -177.677 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 . . . . . 0 N--CA 1.472 0.631 0 CA-C-O 118.377 -0.82 . . . . 10.0 111.989 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.01 -40.91 95.59 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 118.977 0.808 . . . . 10.0 111.991 -169.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.98 -42.48 94.52 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 117.855 -1.069 . . . . 10.0 112.151 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.427 ' CD2' ' HG ' ' B' ' 53' ' ' SER 0.328 0.0 OUTLIER -74.73 -36.6 62.64 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 120.375 1.443 . . . . 10.0 111.262 -179.268 . . . . . . . . 4 4 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.9 tp -56.05 -49.24 74.29 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 127.233 2.213 . . . . 10.0 109.875 170.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.409 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 83.8 m-20 -56.23 -55.66 30.53 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 123.579 0.752 . . . . 10.0 112.141 178.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -65.42 -30.87 71.72 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.761 -0.587 . . . . 10.0 112.525 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.3 tp -76.77 -40.96 46.53 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-O 117.533 -1.223 . . . . 10.0 111.775 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.409 ' CE1' ' HA ' ' A' ' 11' ' ' ASP . 1.8 p-80 -71.11 -25.5 62.62 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.593 1.542 . . . . 10.0 111.543 174.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.4 m -66.3 -49.89 65.52 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 117.94 -1.029 . . . . 10.0 110.582 169.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 tp -52.32 -53.83 39.39 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.407 1.003 . . . . 10.0 110.338 169.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -4.03 7.16 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 115.544 1.683 . . . . 10.0 115.544 -175.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.4 t -143.83 24.2 1.69 Allowed 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.972 1.101 . . . . 10.0 113.972 175.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -52.6 -10.31 0.15 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 128.59 2.756 . . . . 10.0 118.23 -169.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.278 39.3 p 124.92 -17.51 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.926 1 C-N-CA 133.888 4.875 . . . . 10.0 112.055 176.861 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -65.53 160.53 22.13 Favored 'General case' 0 CA--C 1.553 1.061 0 CA-C-O 122.88 1.324 . . . . 10.0 112.057 169.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.02 -8.63 0.61 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.678 2.391 . . . . 10.0 113.985 168.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.7 m -49.3 -41.87 39.53 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 128.546 2.738 . . . . 10.0 115.693 -167.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.13 -3.12 8.27 Favored Glycine 0 N--CA 1.468 0.767 0 C-N-CA 124.249 0.928 . . . . 10.0 113.352 169.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 mp -70.93 -22.59 62.22 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.236 -1.156 . . . . 10.0 109.402 169.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.17 -52.67 2.57 Favored 'General case' 0 C--N 1.346 0.448 0 C-N-CA 127.77 2.428 . . . . 10.0 114.024 175.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.73 -50.91 70.79 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.969 0.804 . . . . 10.0 112.176 176.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 mm -62.33 -40.22 87.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 124.13 0.972 . . . . 10.0 109.658 -176.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.419 ' CG ' ' HH ' ' B' ' 98' ' ' TYR . 2.1 p30 -78.07 -31.25 50.09 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 117.716 -1.135 . . . . 10.0 113.464 -179.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.5 ptt-85 -70.44 -37.51 74.38 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.963 1.256 . . . . 10.0 111.017 169.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.47 -20.11 52.77 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.877 1.065 . . . . 10.0 113.877 172.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.8 mt -111.38 9.49 21.5 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.927 1.691 . . . . 10.0 112.655 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.35 12.69 58.96 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.754 1.169 . . . . 10.0 115.239 176.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.6 mt -53.3 -47.52 95.78 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-O 117.337 -1.316 . . . . 10.0 112.759 -171.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -55.28 -19.15 20.63 Favored 'Trans proline' 0 CA--C 1.545 1.047 0 C-N-CA 123.808 3.005 . . . . 10.0 115.928 172.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -90.64 -36.52 14.34 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 120.264 1.393 . . . . 10.0 111.694 169.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.5 mt -58.13 -29.11 65.27 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.009 -1.057 . . . . 10.0 111.37 169.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 N--CA 1.472 0.672 0 C-N-CA 126.452 1.901 . . . . 10.0 110.162 169.502 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 96.8 p . . . . . 0 C--O 1.238 0.463 0 N-CA-C 105.498 -2.038 . . . . 10.0 105.498 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 2.2 mp -90.15 -28.67 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.367 -169.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' SER . . . . . 0.427 ' HG ' ' CD2' ' A' ' 9' ' ' LEU . 6.8 p -100.07 11.9 0.05 OUTLIER Pre-proline 0 CA--C 1.551 1.0 0 N-CA-C 118.043 2.609 . . . . 10.0 118.043 -176.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -63.63 -13.64 37.84 Favored 'Trans proline' 0 CA--C 1.547 1.15 0 CA-C-N 126.933 3.512 . . . . 10.0 113.685 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 15.0 p -83.74 -51.89 6.87 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.766 1.627 . . . . 10.0 110.948 168.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.73 -24.85 58.99 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 125.256 1.422 . . . . 10.0 113.079 170.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 42.0 tp -57.57 -25.2 59.64 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.928 2.091 . . . . 10.0 111.826 169.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -93.44 -57.74 2.5 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.891 0.877 . . . . 10.0 109.798 169.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -81.62 -39.27 24.73 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 117.186 2.291 . . . . 10.0 117.186 -169.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.66 -32.88 64.22 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.591 1.087 . . . . 10.0 109.608 173.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 tp -58.11 -59.59 5.05 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.538 -0.744 . . . . 10.0 110.88 171.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -34.56 72.23 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.816 1.189 . . . . 10.0 112.654 175.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 5.5 m -57.81 -29.88 65.27 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 127.598 2.359 . . . . 10.0 115.956 177.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.13 -19.59 12.23 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.517 0.932 . . . . 10.0 113.517 173.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -63.45 -36.92 85.33 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.423 -0.955 . . . . 10.0 108.423 168.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 8.3 p -70.87 115.86 40.27 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 103.989 -2.597 . . . . 10.0 103.989 167.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -58.85 146.3 93.63 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 N-CA-C 117.763 2.178 . . . . 10.0 117.763 -168.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 99.8 p -53.37 -28.14 27.61 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 127.753 2.421 . . . . 10.0 114.204 -169.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.7 t -40.85 -72.99 0.1 OUTLIER Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 126.432 1.893 . . . . 10.0 114.7 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -79.1 -11.44 14.85 Favored 'Trans proline' 0 CA--C 1.546 1.078 0 C-N-CA 122.856 2.371 . . . . 10.0 113.487 169.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -89.59 -0.95 57.86 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.642 1.349 . . . . 10.0 114.642 -172.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -15.09 56.02 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 128.755 2.822 . . . . 10.0 115.003 175.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -64.37 172.22 2.68 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 125.195 1.398 . . . . 10.0 113.237 174.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -48.94 -19.05 0.34 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 127.909 2.484 . . . . 10.0 116.682 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -59.59 -32.39 70.34 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 120.41 1.459 . . . . 10.0 114.278 -176.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.32 -53.49 32.17 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 N-CA-C 107.328 -1.36 . . . . 10.0 107.328 174.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.63 -37.25 83.3 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.475 1.11 . . . . 10.0 110.405 -171.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -61.93 -34.35 75.94 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.69 1.596 . . . . 10.0 113.758 175.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.6 mt -90.61 -38.04 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 119.409 1.004 . . . . 10.0 110.68 176.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.6 mt -42.91 -49.23 5.92 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 128.248 2.619 . . . . 10.0 111.794 173.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -59.94 -14.15 14.42 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.325 1.602 . . . . 10.0 115.325 -175.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 89.8 p -71.77 -56.92 4.87 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.066 1.346 . . . . 10.0 113.75 -175.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -90.09 107.96 22.97 Favored Pre-proline 0 CA--C 1.544 0.719 0 CA-C-N 119.17 0.895 . . . . 10.0 109.579 172.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -66.05 -32.45 43.93 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 122.502 2.135 . . . . 10.0 112.265 -176.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -66.25 -45.96 78.78 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 123.878 0.871 . . . . 10.0 109.997 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.5 -42.63 96.74 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.831 0.852 . . . . 10.0 110.806 172.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -49.71 76.36 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.734 0.697 . . . . 10.0 111.448 177.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.36 -42.1 99.13 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.387 -0.82 . . . . 10.0 112.052 174.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.26 -42.43 99.33 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.489 1.116 . . . . 10.0 112.543 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -55.27 -54.59 41.56 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 124.257 1.023 . . . . 10.0 110.126 171.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 96.3 mt -53.39 -56.03 10.24 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 123.564 0.746 . . . . 10.0 110.343 176.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -57.51 -57.43 12.74 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.833 0.853 . . . . 10.0 112.399 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -39.72 92.3 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 117.649 -1.167 . . . . 10.0 111.246 -175.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 38.5 mmm-85 -58.61 -44.3 89.89 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.744 1.611 . . . . 10.0 111.882 171.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -61.04 -42.47 98.53 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 118.611 -0.709 . . . . 10.0 110.493 175.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.77 -53.51 57.11 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.563 1.145 . . . . 10.0 113.15 174.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -45.63 -49.65 14.09 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 127.361 2.264 . . . . 10.0 110.067 170.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' TYR . . . . . 0.419 ' HH ' ' CG ' ' A' ' 29' ' ' ASP . 12.9 m-85 -63.44 -59.22 4.95 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 117.132 -1.414 . . . . 10.0 113.613 174.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.476 0.828 0 CA-C-N 121.391 1.905 . . . . 10.0 113.117 -173.371 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 116.525 -1.703 . . . . 10.0 108.19 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -115.1 21.56 13.18 Favored Glycine 0 CA--C 1.534 1.246 0 CA-C-N 121.768 2.077 . . . . 10.0 112.531 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . 0.275 2.3 mt-30 -1.29 79.29 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 130.894 3.678 . . . . 10.0 116.341 -171.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.7 m -132.75 -73.48 0.51 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 129.092 2.957 . . . . 10.0 109.187 -172.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -83.17 -31.79 26.94 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 108.15 -1.055 . . . . 10.0 108.15 170.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.14 -45.04 95.23 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 125.915 1.686 . . . . 10.0 110.397 173.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.422 ' HE ' ' CG ' ' A' ' 11' ' ' ASP . 7.5 tpm_? -63.1 -56.21 18.82 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 118.74 -0.647 . . . . 10.0 110.774 173.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.42 85.44 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.304 -0.855 . . . . 10.0 112.777 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . 0.337 0.0 OUTLIER -77.21 -32.43 55.95 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 119.297 0.953 . . . . 10.0 111.733 178.535 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.3 tp -60.82 -48.68 80.69 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.822 1.249 . . . . 10.0 110.706 169.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.422 ' CG ' ' HE ' ' A' ' 7' ' ' ARG . 34.2 m-20 -55.4 -54.15 47.25 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.923 0.889 . . . . 10.0 112.53 178.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -65.28 -32.64 74.4 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.902 -0.57 . . . . 10.0 111.443 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 tp -73.86 -42.48 60.73 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-O 117.621 -1.18 . . . . 10.0 111.369 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -72.32 -25.78 61.69 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.459 1.482 . . . . 10.0 111.37 175.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.4 m -65.22 -50.66 65.01 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-O 118.201 -0.904 . . . . 10.0 110.567 170.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 tp -51.2 -57.93 7.48 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.947 1.248 . . . . 10.0 110.352 170.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tp -70.81 0.17 7.73 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.883 1.273 . . . . 10.0 113.894 -171.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.484 ' C ' ' H ' ' A' ' 20' ' ' THR . 52.2 p -143.9 21.85 1.77 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.271 1.212 . . . . 10.0 114.271 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -57.42 4.72 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 129.591 3.156 . . . . 10.0 116.66 -173.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.484 ' H ' ' C ' ' A' ' 18' ' ' SER . 5.2 p 130.32 -85.04 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.415 1 C-N-CA 136.447 5.899 . . . . 10.0 103.096 -169.463 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -151.35 -173.77 4.61 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.789 1.177 . . . . 10.0 112.382 -176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.24 139.52 9.59 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 128.339 2.656 . . . . 10.0 106.756 168.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.0 t -55.53 -19.82 11.1 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 118.266 2.691 . . . . 10.0 118.266 -168.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.06 -14.59 24.21 Favored Glycine 0 CA--C 1.533 1.213 0 CA-C-N 119.843 1.201 . . . . 10.0 113.83 169.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 tp -53.71 -26.04 21.23 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 126.313 1.845 . . . . 10.0 114.028 170.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -57.25 -46.19 83.25 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.671 0.668 . . . . 10.0 111.589 169.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -65.39 -46.98 77.93 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 118.457 -0.782 . . . . 10.0 110.535 175.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.2 mm -57.15 -38.7 62.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 118.634 0.652 . . . . 10.0 110.825 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -65.99 -54.14 29.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.153 0.981 . . . . 10.0 111.291 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.1 ptt85 -66.25 -30.59 71.06 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.079 -1.013 . . . . 10.0 113.635 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.54 -19.92 62.67 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.761 1.164 . . . . 10.0 113.088 169.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.6 mt -110.38 13.13 22.92 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.417 1.887 . . . . 10.0 112.142 174.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.54 12.74 41.66 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.557 1.551 . . . . 10.0 115.514 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.282 42.1 mt -53.23 -48.0 93.92 Favored Pre-proline 0 N--CA 1.468 0.458 0 CA-C-O 117.052 -1.451 . . . . 10.0 113.703 -169.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -56.35 -20.35 32.09 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.998 2.465 . . . . 10.0 116.248 172.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -83.88 -45.83 12.8 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.313 1.045 . . . . 10.0 109.48 169.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.0 mt -54.41 -27.24 35.52 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.55 1.14 . . . . 10.0 113.142 175.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.7 t -56.19 -60.09 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 125.482 1.513 . . . . 10.0 110.745 169.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -23.94 65.98 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 112.914 0.709 . . . . 10.0 112.914 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -68.63 -19.7 64.44 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.72 0.691 . . . . 10.0 112.552 168.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.04 16.85 62.25 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 125.045 1.307 . . . . 10.0 114.881 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.66 -30.25 65.28 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.412 1.606 . . . . 10.0 113.292 -172.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.04 -31.11 66.7 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.576 1.15 . . . . 10.0 113.608 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.3 mt -87.62 -14.34 40.31 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.868 1.667 . . . . 10.0 113.2 -176.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -76.93 144.69 72.78 Favored Pre-proline 0 CA--C 1.544 0.732 0 O-C-N 121.706 -0.621 . . . . 10.0 111.595 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -71.87 -12.09 28.21 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 122.845 2.364 . . . . 10.0 113.005 169.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.149 0 C-N-CA 126.289 1.836 . . . . 10.0 111.963 171.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo . . . . . 0 N--CA 1.485 1.008 0 N-CA-C 106.456 -2.171 . . . . 10.0 106.456 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -159.8 -62.45 0.07 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.563 1.545 . . . . 10.0 110.881 -168.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -62.04 -72.12 0.13 Allowed 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 105.073 -2.195 . . . . 10.0 105.073 168.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.17 138.25 31.67 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 103.56 -2.756 . . . . 10.0 103.56 166.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . 0.455 ' H ' HD12 ' B' ' 52' ' ' ILE . 2.5 mp -90.52 -27.13 5.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 123.705 0.802 . . . . 10.0 110.643 -171.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 2.3 p -101.54 12.45 0.06 OUTLIER Pre-proline 0 CA--C 1.553 1.096 0 C-N-CA 127.561 2.344 . . . . 10.0 116.999 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -68.7 -13.26 36.69 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 124.046 3.164 . . . . 10.0 113.148 -172.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 12.8 p -86.4 -49.39 7.67 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.983 1.713 . . . . 10.0 110.971 169.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.24 -24.73 56.67 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.921 1.689 . . . . 10.0 112.068 170.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 48.7 tp -54.84 -30.08 56.66 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 125.652 1.581 . . . . 10.0 111.108 169.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -90.91 -58.77 2.36 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 169.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.2 -37.68 45.0 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 118.43 2.752 . . . . 10.0 118.43 -168.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.9 tp -76.08 -34.16 59.54 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.787 1.63 . . . . 10.0 110.453 173.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 19.6 tp -58.79 -59.64 5.1 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.953 0.901 . . . . 10.0 110.183 171.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -27.61 69.52 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.848 1.203 . . . . 10.0 112.492 176.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 17.8 m -62.98 -21.3 66.03 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 114.818 1.414 . . . . 10.0 114.818 172.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.51 -22.04 8.33 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 113.813 1.042 . . . . 10.0 113.813 171.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -63.52 -41.24 98.5 Favored 'General case' 0 C--N 1.345 0.385 0 N-CA-C 108.255 -1.017 . . . . 10.0 108.255 168.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 67.1 p -80.35 111.82 25.72 Favored Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 102.959 -2.978 . . . . 10.0 102.959 166.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -52.16 150.68 18.68 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.437 2.091 . . . . 10.0 116.967 -168.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 23.8 m -61.83 23.69 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.752 2.021 . . . . 10.0 115.854 174.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -90.09 -68.12 0.11 Allowed Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 124.805 1.242 . . . . 10.0 107.707 168.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.16 -25.28 26.93 Favored 'Trans proline' 0 C--N 1.357 0.975 0 CA-C-N 121.583 1.601 . . . . 10.0 110.397 168.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -90.48 24.58 2.56 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.845 1.658 . . . . 10.0 114.635 169.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -64.91 -20.08 66.26 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 115.236 1.569 . . . . 10.0 115.236 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.436 ' NE2' ' H ' ' B' ' 73' ' ' GLN . 0.0 OUTLIER -79.85 172.86 13.22 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 123.105 1.431 . . . . 10.0 113.052 -170.506 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -55.72 1.5 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 128.609 2.763 . . . . 10.0 114.412 170.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.7 -23.99 65.3 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 120.664 1.574 . . . . 10.0 112.332 170.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.38 -54.9 19.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 N-CA-C 106.902 -1.518 . . . . 10.0 106.902 169.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -35.45 73.81 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.034 1.734 . . . . 10.0 112.032 -172.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -70.4 -29.28 65.86 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.603 1.161 . . . . 10.0 113.987 176.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 9.0 mt -90.64 -36.12 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 120.704 1.593 . . . . 10.0 111.017 172.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 mt -41.49 -50.74 3.94 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 128.635 2.774 . . . . 10.0 111.425 175.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -59.93 -19.29 51.03 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 115.486 1.661 . . . . 10.0 115.486 -175.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 75.3 p -66.32 -52.54 46.13 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.671 1.188 . . . . 10.0 113.77 -170.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -92.89 108.73 34.36 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 108.536 -0.913 . . . . 10.0 108.536 169.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -64.39 -32.58 60.46 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.754 2.303 . . . . 10.0 111.821 -174.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -70.5 -39.43 74.15 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.622 0.769 . . . . 10.0 111.146 175.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.33 -46.18 90.82 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.866 0.757 . . . . 10.0 109.642 170.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -50.23 74.28 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.844 0.747 . . . . 10.0 111.839 177.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.82 98.14 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.183 -0.948 . . . . 10.0 112.919 175.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.09 91.31 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.341 1.057 . . . . 10.0 112.055 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -57.79 -61.2 2.7 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 107.712 -1.218 . . . . 10.0 107.712 169.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 69.6 mt -55.11 -46.01 77.32 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 119.508 1.049 . . . . 10.0 111.492 -175.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -57.57 -60.05 4.26 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 124.675 1.19 . . . . 10.0 111.723 175.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -32.03 69.76 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 119.172 0.896 . . . . 10.0 111.424 -176.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -55.43 -54.04 48.71 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.723 1.601 . . . . 10.0 109.014 169.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 1.5 m -59.48 -42.8 92.91 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.639 0.375 . . . . 10.0 111.948 176.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.08 -47.5 85.03 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.16 0.984 . . . . 10.0 112.885 175.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -40.33 73.71 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 124.68 1.192 . . . . 10.0 110.619 174.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -68.22 -53.31 25.69 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 117.937 -1.03 . . . . 10.0 113.061 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 30.9 m -60.76 -29.24 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 120.689 1.586 . . . . 10.0 111.509 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.78 3.15 5.47 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.454 1.279 . . . . 10.0 114.454 170.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -130.75 -44.05 1.09 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.376 1.87 . . . . 10.0 113.093 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -145.09 69.43 14.29 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 128.719 2.808 . . . . 10.0 110.56 -173.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -74.92 -33.11 4.95 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.786 2.324 . . . . 10.0 113.428 -174.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 65.99 -70.28 0.13 Allowed Glycine 0 CA--C 1.529 0.96 0 C-N-CA 125.197 1.38 . . . . 10.0 112.966 -173.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.6 6.41 1.65 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.271 1.828 . . . . 10.0 114.087 172.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 . . . . . 0 C--O 1.251 1.133 0 CA-C-O 116.822 -1.561 . . . . 10.0 110.588 178.16 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.409 ' H1 ' ' CG ' ' A' ' 5' ' ' ASP . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.464 0 CA-C-O 121.408 0.623 . . . . 10.0 110.85 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -135.9 6.37 4.08 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.827 1.203 . . . . 10.0 114.553 170.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 71.26 -19.24 0.25 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.855 2.062 . . . . 10.0 113.485 -170.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.5 p -67.48 -57.88 5.73 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 128.623 2.769 . . . . 10.0 111.564 169.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.409 ' CG ' ' H1 ' ' A' ' 1' ' ' GLU . 3.9 p-10 -61.09 -35.17 76.28 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.386 0.674 . . . . 10.0 111.288 177.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -46.4 -39.9 11.19 Favored 'General case' 0 C--O 1.212 -0.899 0 C-N-CA 126.079 1.752 . . . . 10.0 111.955 175.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -35.44 69.83 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 121.387 1.903 . . . . 10.0 113.243 -176.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.07 -43.14 58.82 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.9 0.773 . . . . 10.0 111.47 174.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.06 -40.08 92.31 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.223 1.009 . . . . 10.0 110.855 176.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.4 tp -63.62 -49.33 73.73 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 130.653 3.581 . . . . 10.0 110.945 175.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -57.93 -53.35 59.2 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 123.357 0.663 . . . . 10.0 112.019 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -66.0 -34.46 78.14 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.102 0.865 . . . . 10.0 112.815 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 mt -71.46 -43.23 67.04 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 119.59 1.086 . . . . 10.0 112.788 174.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -71.28 -28.59 64.24 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 121.508 1.958 . . . . 10.0 111.191 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.2 m -63.38 -53.39 53.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 118.092 -0.956 . . . . 10.0 109.627 169.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tp -50.9 -55.8 15.36 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 119.37 0.987 . . . . 10.0 111.442 170.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 tp -73.65 -2.49 23.32 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.044 1.127 . . . . 10.0 114.044 -171.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.8 p -136.69 10.7 3.15 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -43.7 -6.42 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.021 1 C-N-CA 131.834 4.054 . . . . 10.0 120.323 -169.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.1 p 121.02 -28.57 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.422 1 C-N-CA 133.95 4.9 . . . . 10.0 112.588 -176.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -61.76 162.57 8.51 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 123.295 1.521 . . . . 10.0 113.324 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.25 -15.88 1.44 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.06 2.144 . . . . 10.0 113.201 169.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 m -47.68 -45.35 28.2 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 127.118 2.167 . . . . 10.0 116.03 -169.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -127.59 28.09 4.54 Favored Glycine 0 N--CA 1.472 1.038 0 C-N-CA 124.993 1.282 . . . . 10.0 112.538 172.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 mt -110.42 -29.88 7.91 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 124.633 1.173 . . . . 10.0 109.217 169.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.34 -40.39 59.02 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.525 2.33 . . . . 10.0 113.21 176.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -60.33 -53.17 60.78 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.378 1.471 . . . . 10.0 112.662 169.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 mm -62.14 -39.19 83.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 124.398 1.079 . . . . 10.0 110.094 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -65.67 -49.52 68.28 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.704 2.002 . . . . 10.0 110.363 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.9 ptt-85 -64.62 -38.33 90.65 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.659 1.118 . . . . 10.0 112.392 175.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.63 -19.9 52.31 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 119.245 0.93 . . . . 10.0 113.321 173.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.0 mt -112.89 13.52 19.63 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.968 1.707 . . . . 10.0 112.548 175.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.88 11.57 44.45 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 126.384 1.945 . . . . 10.0 115.784 177.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.25 35.7 mt -52.08 -45.33 93.55 Favored Pre-proline 0 N--CA 1.472 0.63 0 CA-C-O 117.245 -1.36 . . . . 10.0 113.621 -169.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -57.75 -24.17 62.08 Favored 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 122.649 2.232 . . . . 10.0 116.007 174.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -79.12 -35.05 42.8 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 120.07 1.304 . . . . 10.0 111.324 170.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.95 -40.9 90.57 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.465 -0.772 . . . . 10.0 110.251 169.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.2 t -62.2 -51.95 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 126.158 1.783 . . . . 10.0 111.598 172.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -50.65 -51.17 51.61 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.469 1.108 . . . . 10.0 111.439 174.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -65.99 -19.85 66.0 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.573 1.323 . . . . 10.0 114.573 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.11 19.4 62.86 Favored Glycine 0 CA--C 1.538 1.48 0 CA-C-O 118.481 -1.177 . . . . 10.0 114.075 -177.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -68.15 42.76 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 127.0 2.12 . . . . 10.0 114.352 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.9 -3.21 35.73 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 119.281 -2.137 . . . . 10.0 114.753 -172.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.0 mt -117.71 -25.98 6.7 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.726 1.148 . . . . 10.0 113.723 -169.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.54 158.11 88.55 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 125.379 1.471 . . . . 10.0 109.912 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -68.78 16.07 0.17 Allowed 'Trans proline' 0 CA--C 1.554 1.494 0 C-N-CA 124.815 3.677 . . . . 10.0 115.815 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.405 ' C ' ' HZ3' ' B' ' 92' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.17 0 C-N-CA 127.554 2.342 . . . . 10.0 110.388 169.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo . . . . . 0 C--O 1.241 0.666 0 N-CA-C 109.841 -0.869 . . . . 10.0 109.841 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -122.28 -16.69 7.33 Favored 'General case' 0 C--N 1.36 1.065 0 N-CA-C 115.214 1.561 . . . . 10.0 115.214 -167.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -116.64 -62.29 1.61 Allowed 'General case' 0 C--N 1.342 0.265 0 N-CA-C 106.295 -1.743 . . . . 10.0 106.295 166.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 49.1 m -79.15 116.87 19.7 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 105.918 -1.882 . . . . 10.0 105.918 166.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -90.88 -10.07 10.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 123.566 0.747 . . . . 10.0 112.726 -170.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 61.9 p -103.91 0.74 0.1 OUTLIER Pre-proline 0 CA--C 1.546 0.816 0 N-CA-C 118.973 2.953 . . . . 10.0 118.973 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -64.93 -19.45 63.99 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 CA-C-N 124.82 2.757 . . . . 10.0 114.655 -172.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 13.1 p -84.05 -47.19 11.2 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.895 0.878 . . . . 10.0 111.375 169.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.98 -30.03 63.75 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.46 1.504 . . . . 10.0 112.555 172.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 44.0 tp -56.02 -19.9 14.59 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 127.178 2.191 . . . . 10.0 112.036 170.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -104.31 -59.89 1.67 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 123.897 0.879 . . . . 10.0 108.915 168.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.15 -37.57 53.68 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 116.208 1.929 . . . . 10.0 116.208 -169.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 tp -79.94 -36.64 35.94 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 120.576 1.535 . . . . 10.0 110.113 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 23.7 tp -61.42 -50.72 71.69 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 125.262 1.425 . . . . 10.0 111.656 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 -62.66 -34.0 76.2 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.932 1.242 . . . . 10.0 112.264 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 5.1 m -64.53 -21.89 66.81 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.502 1.521 . . . . 10.0 114.502 -177.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.89 -15.92 11.19 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.986 1.106 . . . . 10.0 113.986 170.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -64.14 -41.16 97.29 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 107.513 -1.291 . . . . 10.0 107.513 167.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 10.4 p -69.54 126.04 92.36 Favored Pre-proline 0 CA--C 1.548 0.879 0 N-CA-C 104.4 -2.444 . . . . 10.0 104.4 167.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -60.24 147.93 91.76 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 N-CA-C 117.59 2.112 . . . . 10.0 117.59 -168.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 82.5 p -58.68 -10.93 2.6 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.9 2.48 . . . . 10.0 114.539 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.4 t -64.91 -67.62 1.0 Allowed Pre-proline 0 CA--C 1.544 0.736 0 CA-C-O 117.511 -1.233 . . . . 10.0 111.824 170.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.79 -26.19 27.68 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 CA-C-N 122.301 1.857 . . . . 10.0 112.634 169.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -84.73 17.92 2.58 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.634 1.346 . . . . 10.0 114.634 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -54.18 -38.72 65.9 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 128.555 2.742 . . . . 10.0 115.353 -173.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.468 ' NE2' ' H ' ' B' ' 73' ' ' GLN . 2.1 pm0 -86.69 -179.39 6.57 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.183 1.393 . . . . 10.0 114.059 -169.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -63.1 5.94 0.13 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.172 2.189 . . . . 10.0 115.322 -169.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -63.47 -23.75 67.53 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 121.103 1.774 . . . . 10.0 113.288 175.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.04 -52.09 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 107.758 -1.201 . . . . 10.0 107.758 169.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.52 -40.06 90.05 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 126.104 1.762 . . . . 10.0 111.376 -174.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -62.95 -30.48 71.6 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.894 1.278 . . . . 10.0 113.25 176.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 32.9 mt -88.53 -45.49 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 119.634 1.106 . . . . 10.0 110.458 172.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 mt -39.75 -52.14 2.32 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 128.481 2.713 . . . . 10.0 111.951 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -57.46 -20.4 30.4 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.886 1.069 . . . . 10.0 113.886 -176.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 65.6 p -80.7 -6.44 58.43 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.63 1.345 . . . . 10.0 114.63 175.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -127.45 73.19 77.84 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 119.285 0.948 . . . . 10.0 111.254 -170.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -37.94 -60.34 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 125.143 3.896 . . . . 10.0 117.286 -171.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -60.49 -41.75 94.89 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.791 0.723 . . . . 10.0 112.091 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.65 -36.51 76.14 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 123.32 0.648 . . . . 10.0 111.724 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -48.85 80.04 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.035 0.834 . . . . 10.0 111.091 171.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.36 95.7 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.486 0.584 . . . . 10.0 112.224 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.47 87.48 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-O 118.621 -0.704 . . . . 10.0 112.588 176.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -58.72 -59.5 5.32 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 117.82 -1.086 . . . . 10.0 109.465 169.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 71.6 mt -49.9 -50.46 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 CA-C-N 119.239 0.927 . . . . 10.0 111.122 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.527 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.1 OUTLIER -60.98 -60.0 4.48 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.558 0.743 . . . . 10.0 112.238 -179.626 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -34.94 78.32 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-O 117.719 -1.134 . . . . 10.0 111.283 -175.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -56.36 -50.73 70.69 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 121.435 1.925 . . . . 10.0 111.128 170.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 3.2 m -57.71 -45.86 85.16 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 122.524 0.329 . . . . 10.0 111.662 177.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.1 83.34 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.252 1.021 . . . . 10.0 113.387 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -45.43 66.85 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.359 1.464 . . . . 10.0 110.055 174.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -65.93 -55.76 15.21 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 117.247 -1.358 . . . . 10.0 112.802 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 26.0 m -55.99 -25.78 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 121.154 1.797 . . . . 10.0 113.692 -173.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.08 -2.34 58.09 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 116.693 2.108 . . . . 10.0 116.693 173.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -141.27 -35.13 0.47 Allowed 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 120.156 1.344 . . . . 10.0 114.01 -169.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -135.97 79.07 45.95 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 129.235 3.014 . . . . 10.0 106.288 170.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -69.39 159.99 51.54 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.501 2.134 . . . . 10.0 112.738 -172.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -88.34 -70.78 1.27 Allowed Glycine 0 C--N 1.34 0.787 0 C-N-CA 124.4 1.0 . . . . 10.0 112.157 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 24.0 ptp -141.36 29.36 1.79 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.306 1.442 . . . . 10.0 111.517 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.001 0 C-N-CA 127.372 2.269 . . . . 10.0 111.989 -170.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.444 ' H2 ' ' CG ' ' A' ' 5' ' ' ASP . 7.3 tp10 . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.23 27.51 0.13 Allowed Glycine 0 CA--C 1.528 0.895 0 CA-C-O 118.44 -1.2 . . . . 10.0 114.006 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 62.61 -36.95 0.14 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 128.199 2.599 . . . . 10.0 115.479 -175.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.1 t -65.71 -27.58 68.43 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.558 1.072 . . . . 10.0 113.471 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.444 ' CG ' ' H2 ' ' A' ' 1' ' ' GLU . 8.2 p-10 -82.02 -47.22 12.91 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.495 0.718 . . . . 10.0 109.66 169.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -46.1 -45.62 16.47 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 126.385 1.874 . . . . 10.0 111.409 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.85 -46.92 84.09 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 113.775 1.028 . . . . 10.0 113.775 -172.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.67 90.58 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.307 0.958 . . . . 10.0 111.744 174.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.2 mt -68.66 -41.87 78.69 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.063 1.345 . . . . 10.0 110.794 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.83 -54.2 49.05 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 128.666 2.786 . . . . 10.0 110.208 170.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.418 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 78.4 m-20 -55.39 -51.01 68.23 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.624 1.17 . . . . 10.0 111.349 -178.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -66.9 -30.49 70.65 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-O 118.427 -0.796 . . . . 10.0 112.44 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mt -75.26 -45.42 40.11 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-O 117.644 -1.169 . . . . 10.0 112.546 177.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.418 ' CE1' ' HA ' ' A' ' 11' ' ' ASP . 2.1 p-80 -68.61 -26.9 65.59 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 121.279 1.854 . . . . 10.0 110.761 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.5 m -62.65 -56.09 20.91 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 117.952 -1.023 . . . . 10.0 109.595 169.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 tp -47.36 -52.82 15.43 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.775 1.17 . . . . 10.0 110.771 171.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.34 -9.24 39.24 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.486 1.514 . . . . 10.0 114.972 -176.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -143.29 13.94 1.81 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 -170.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -49.39 -6.02 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.881 1 C-N-CA 133.143 4.577 . . . . 10.0 118.888 -169.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.273 73.9 p 112.04 -16.98 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.08 1 C-N-CA 133.517 4.727 . . . . 10.0 113.557 -177.855 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -60.9 165.69 3.91 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-O 122.644 1.212 . . . . 10.0 113.177 171.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -143.95 -9.8 0.69 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.535 2.334 . . . . 10.0 114.256 169.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.3 m -47.12 -53.37 13.06 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 128.295 2.638 . . . . 10.0 116.593 -168.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.75 -10.27 11.51 Favored Glycine 0 N--CA 1.471 1.017 0 CA-C-N 118.596 0.634 . . . . 10.0 113.187 168.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.2 mt -57.49 -31.23 65.79 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.802 1.241 . . . . 10.0 111.837 169.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -42.09 -52.98 4.12 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 127.821 2.448 . . . . 10.0 115.676 173.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -59.39 -46.6 88.24 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.416 1.007 . . . . 10.0 112.483 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.4 mt -67.42 -36.4 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 124.054 0.942 . . . . 10.0 109.399 -175.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -80.2 -32.76 38.54 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 117.199 -1.381 . . . . 10.0 113.178 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 -67.85 -35.44 78.57 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 120.378 1.445 . . . . 10.0 111.02 169.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.36 -19.9 57.45 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.272 1.029 . . . . 10.0 113.759 171.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.9 mt -113.49 11.65 18.45 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.676 1.59 . . . . 10.0 112.596 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.22 8.0 53.25 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 125.171 1.367 . . . . 10.0 116.166 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.0 mt -52.38 -46.61 94.6 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 125.887 1.675 . . . . 10.0 113.08 -171.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -59.48 -38.76 81.29 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 122.671 2.247 . . . . 10.0 113.765 173.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -46.29 71.83 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 118.499 0.591 . . . . 10.0 110.792 176.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.1 mt -54.34 -41.92 69.64 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.933 0.893 . . . . 10.0 111.914 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 79.7 t -61.85 -48.69 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.711 0.804 . . . . 10.0 111.143 172.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -59.51 -38.15 80.18 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.951 0.796 . . . . 10.0 112.599 176.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -67.05 -19.99 65.76 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.431 1.492 . . . . 10.0 113.342 171.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.15 0.39 88.75 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.315 0.96 . . . . 10.0 114.202 -171.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -75.15 70.57 2.12 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.765 2.026 . . . . 10.0 109.834 177.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -130.52 6.46 4.8 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.699 1.6 . . . . 10.0 114.174 -177.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.7 mt -114.07 -15.61 12.24 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.934 1.294 . . . . 10.0 114.075 -169.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.31 -177.46 0.48 Allowed Pre-proline 0 CA--C 1.557 1.246 0 C-N-CA 127.221 2.208 . . . . 10.0 111.309 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -61.7 8.88 0.09 OUTLIER 'Trans proline' 0 CA--C 1.55 1.279 0 C-N-CA 124.249 3.3 . . . . 10.0 115.515 170.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.971 0 C-N-CA 130.425 3.49 . . . . 10.0 110.709 178.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo . . . . . 0 N--CA 1.476 0.499 0 CA-C-O 120.787 0.245 . . . . 10.0 111.987 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -118.78 -64.3 1.3 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.514 1.126 . . . . 10.0 113.023 -171.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.34 -43.67 40.05 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 107.897 -1.149 . . . . 10.0 107.897 169.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.3 m -92.14 103.0 15.54 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.519 1.127 . . . . 10.0 109.435 169.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.93 -10.29 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.165 0.586 . . . . 10.0 112.028 -177.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 13.0 p -96.6 -3.12 0.1 Allowed Pre-proline 0 N--CA 1.474 0.76 0 N-CA-C 118.851 2.908 . . . . 10.0 118.851 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -64.79 -18.78 63.49 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 CA-C-N 125.73 3.082 . . . . 10.0 113.831 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.8 p -81.42 -53.8 6.0 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 125.038 1.335 . . . . 10.0 110.871 168.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.83 -32.7 53.79 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.889 1.275 . . . . 10.0 113.689 174.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 28.2 tp -58.1 -28.73 64.89 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 127.684 2.394 . . . . 10.0 112.388 172.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -90.25 -59.66 2.13 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.696 0.798 . . . . 10.0 109.44 169.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.81 -48.78 15.72 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 115.965 1.839 . . . . 10.0 115.965 -168.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.71 -39.67 64.15 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 120.937 -1.102 . . . . 10.0 109.304 -176.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 15.1 tp -54.98 -50.11 69.78 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 117.841 -1.076 . . . . 10.0 109.601 172.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -53.8 -51.87 62.13 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 119.94 1.245 . . . . 10.0 112.083 169.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.87 -22.43 48.06 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 127.854 2.462 . . . . 10.0 115.858 -174.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.26 -19.0 11.95 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.958 1.096 . . . . 10.0 113.958 169.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -57.04 -41.98 79.66 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 107.315 -1.365 . . . . 10.0 107.315 168.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 37.9 p -71.12 107.06 2.23 Favored Pre-proline 0 CA--C 1.544 0.713 0 N-CA-C 102.462 -3.162 . . . . 10.0 102.462 165.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.94 150.89 60.97 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 N-CA-C 117.331 2.012 . . . . 10.0 117.331 -167.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 52.7 p -49.93 -35.17 22.97 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 125.723 1.609 . . . . 10.0 114.045 -170.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.8 t -45.94 -65.85 0.6 Allowed Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 125.586 1.555 . . . . 10.0 114.477 -175.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.82 -21.9 15.8 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 122.169 1.912 . . . . 10.0 112.943 169.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -90.27 9.4 28.84 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 116.495 2.035 . . . . 10.0 116.495 -169.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -17.02 9.62 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 127.535 2.334 . . . . 10.0 116.06 -176.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -68.54 168.22 13.35 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.879 1.437 . . . . 10.0 114.879 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -7.15 0.17 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 126.009 1.724 . . . . 10.0 115.627 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -53.74 -34.65 59.59 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 120.377 1.444 . . . . 10.0 113.763 169.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.44 -52.6 31.05 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.518 0 N-CA-C 108.383 -0.969 . . . . 10.0 108.383 174.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.92 -37.36 73.93 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.509 1.124 . . . . 10.0 111.173 -174.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -58.84 -39.4 81.15 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 126.253 1.821 . . . . 10.0 113.352 174.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.6 mt -88.64 -39.41 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 123.371 0.668 . . . . 10.0 109.567 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.0 mt -42.89 -54.46 4.17 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 127.83 2.452 . . . . 10.0 111.255 170.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -61.41 -12.54 14.78 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.427 1.269 . . . . 10.0 114.427 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 52.2 p -79.94 -16.6 54.93 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.841 1.423 . . . . 10.0 114.841 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -125.9 103.65 27.21 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 108.543 -0.91 . . . . 10.0 108.543 172.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_exo -59.6 -39.37 75.28 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.313 2.676 . . . . 10.0 113.201 -174.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.8 -42.83 85.3 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.106 0.563 . . . . 10.0 110.548 178.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.87 -42.93 99.94 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.267 1.427 . . . . 10.0 110.542 174.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -52.37 65.9 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.344 0.658 . . . . 10.0 111.355 175.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.88 -42.22 99.69 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 121.876 -0.515 . . . . 10.0 111.711 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.23 -38.73 92.09 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.191 0.905 . . . . 10.0 113.148 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -56.78 -56.78 17.12 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.4 1.08 . . . . 10.0 109.738 170.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 98.2 mt -52.95 -57.65 4.16 Favored 'Isoleucine or valine' 0 C--N 1.35 0.607 0 O-C-N 124.058 0.849 . . . . 10.0 108.902 178.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -60.56 2.99 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.666 1.186 . . . . 10.0 113.005 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.83 -26.84 64.43 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-O 117.124 -1.417 . . . . 10.0 112.017 -176.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 35.9 mmm-85 -64.59 -51.21 63.93 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 120.819 1.645 . . . . 10.0 111.438 169.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.48 -40.8 79.37 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.222 0.919 . . . . 10.0 110.957 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.16 85.3 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.067 0.766 . . . . 10.0 113.067 172.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -44.48 66.54 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.227 1.411 . . . . 10.0 110.349 174.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -57.29 -60.48 3.56 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 117.385 -1.293 . . . . 10.0 111.938 174.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 29.6 m -66.72 -19.79 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 114.17 1.174 . . . . 10.0 114.17 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.04 -53.81 11.76 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 118.941 0.791 . . . . 10.0 111.227 169.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -18.07 53.19 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 115.088 1.514 . . . . 10.0 115.088 -178.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -148.89 77.27 9.37 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 128.543 2.737 . . . . 10.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.9 -6.92 0.75 Allowed 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 124.321 3.348 . . . . 10.0 116.655 170.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.8 -49.2 3.08 Favored Glycine 0 N--CA 1.47 0.936 0 CA-C-N 120.04 1.291 . . . . 10.0 110.076 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -73.16 -8.04 54.02 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.435 1.094 . . . . 10.0 111.487 168.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 . . . . . 0 C--O 1.257 1.481 0 C-N-CA 130.868 3.667 . . . . 10.0 107.958 178.357 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 114.297 1.221 . . . . 10.0 114.297 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.35 25.17 3.31 Favored Glycine 0 CA--C 1.537 1.458 0 CA-C-N 120.516 1.507 . . . . 10.0 113.352 -172.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 57.48 3.76 0.2 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 127.905 2.482 . . . . 10.0 116.512 -177.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.1 t -132.1 -3.75 3.53 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 125.538 1.535 . . . . 10.0 114.602 -177.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -89.5 -43.32 10.91 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.381 0.991 . . . . 10.0 110.966 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 pm0 -62.11 -25.03 67.49 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 114.806 1.41 . . . . 10.0 114.806 -169.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.31 -35.83 82.14 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 120.166 1.348 . . . . 10.0 112.396 176.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.92 -43.7 62.1 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.862 0.865 . . . . 10.0 110.963 175.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.49 -44.57 89.45 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.34 1.056 . . . . 10.0 110.091 174.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.26 -49.38 78.05 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 128.537 2.735 . . . . 10.0 110.987 173.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -57.81 -50.88 71.8 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 118.793 0.724 . . . . 10.0 112.886 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -64.88 -38.9 92.51 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 119.913 -0.715 . . . . 10.0 111.386 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.2 mt -70.63 -41.35 72.32 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-O 116.492 -1.718 . . . . 10.0 112.356 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -70.62 -34.17 71.82 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 122.2 2.273 . . . . 10.0 110.871 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.6 m -60.25 -55.78 29.53 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 125.039 1.336 . . . . 10.0 110.794 170.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 tp -51.71 -57.52 9.0 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 118.554 0.616 . . . . 10.0 110.685 173.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tp -69.35 -9.06 51.67 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 113.299 0.851 . . . . 10.0 113.299 -169.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -134.24 5.97 3.56 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.077 1.51 . . . . 10.0 115.077 -172.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -40.1 -3.61 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.933 1 C-N-CA 135.382 5.473 . . . . 10.0 120.668 -170.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.25 81.3 p 109.95 -17.58 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.166 1 C-N-CA 133.33 4.652 . . . . 10.0 114.287 -177.793 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -62.32 163.2 8.77 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 123.47 1.605 . . . . 10.0 112.954 171.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.43 -5.24 0.66 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.41 1.884 . . . . 10.0 113.921 169.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.4 m -43.32 -58.98 2.29 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.931 2.092 . . . . 10.0 116.551 -168.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.95 -12.69 12.0 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-N 118.702 0.683 . . . . 10.0 112.105 168.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.9 mt -55.22 -29.44 57.98 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-O 117.847 -1.073 . . . . 10.0 110.89 168.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.98 -38.1 16.11 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.741 1.617 . . . . 10.0 114.582 174.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -65.44 -53.28 45.09 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.811 1.244 . . . . 10.0 111.968 169.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.4 mm -60.19 -34.83 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 124.797 1.239 . . . . 10.0 110.354 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -64.04 -57.62 9.13 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.603 1.961 . . . . 10.0 110.198 175.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.4 ptt-85 -62.19 -31.52 72.06 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 113.429 0.9 . . . . 10.0 113.429 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.5 -20.04 58.85 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.163 0.985 . . . . 10.0 113.363 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.0 mt -114.14 14.12 18.17 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.4 1.48 . . . . 10.0 112.246 172.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.3 8.07 53.89 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 116.011 1.165 . . . . 10.0 116.011 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.297 51.3 mt -47.14 -50.68 45.68 Favored Pre-proline 0 N--CA 1.475 0.813 0 CA-C-O 116.985 -1.483 . . . . 10.0 113.407 -173.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -61.4 -29.56 85.69 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 123.382 2.722 . . . . 10.0 115.179 175.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -72.71 -49.8 28.92 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.927 0.785 . . . . 10.0 110.308 172.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.1 mt -49.47 -48.35 47.79 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.765 1.226 . . . . 10.0 110.471 172.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.8 t -54.83 -51.8 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 126.595 1.958 . . . . 10.0 112.886 170.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -59.65 -42.5 92.93 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.738 0.815 . . . . 10.0 113.112 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -75.18 -19.99 59.55 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 114.089 1.144 . . . . 10.0 114.089 173.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.64 3.49 49.73 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 126.508 2.004 . . . . 10.0 114.804 176.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.56 94.67 1.01 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.883 2.073 . . . . 10.0 109.831 177.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -163.0 -24.04 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 116.147 1.906 . . . . 10.0 116.147 -169.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.5 mt -114.41 -11.9 12.44 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.719 1.145 . . . . 10.0 113.33 -169.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.97 176.72 1.04 Allowed Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 127.239 2.216 . . . . 10.0 111.75 173.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -57.7 -5.18 1.66 Allowed 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 124.531 3.488 . . . . 10.0 117.902 176.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 C-N-CA 125.965 1.706 . . . . 10.0 111.197 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo . . . . . 0 N--CA 1.46 -0.462 0 N-CA-C 111.488 -0.236 . . . . 10.0 111.488 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -133.82 -74.21 0.48 Allowed 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 124.106 0.962 . . . . 10.0 109.251 175.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -66.12 -42.32 89.33 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.695 1.134 . . . . 10.0 110.422 168.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 78.9 p -81.09 102.48 10.27 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 108.576 -0.898 . . . . 10.0 108.576 169.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . 0.465 HD13 ' H ' ' B' ' 52' ' ' ILE . 0.2 OUTLIER -89.79 -5.22 10.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 124.872 1.269 . . . . 10.0 112.314 -172.604 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 50.7 p -124.61 5.99 0.06 OUTLIER Pre-proline 0 CA--C 1.546 0.807 0 N-CA-C 118.569 2.803 . . . . 10.0 118.569 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -67.04 -19.57 51.45 Favored 'Trans proline' 0 C--N 1.356 0.947 0 CA-C-N 124.838 2.764 . . . . 10.0 112.677 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 11.9 p -74.78 -58.4 3.31 Favored 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 125.186 1.394 . . . . 10.0 109.854 168.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.12 -29.07 43.54 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.859 1.263 . . . . 10.0 113.847 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 20.4 tp -59.71 -31.57 69.71 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 127.021 2.129 . . . . 10.0 112.326 171.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -90.91 -39.49 12.25 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.581 1.152 . . . . 10.0 111.355 171.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.24 -59.35 1.85 Allowed 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 116.751 2.13 . . . . 10.0 116.751 -170.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 tp -71.03 -32.06 68.71 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 121.693 0.758 . . . . 10.0 110.063 -174.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 36.7 tp -63.9 -54.48 34.16 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 126.022 1.729 . . . . 10.0 111.251 173.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 29.9 ptt-85 -63.77 -35.88 82.04 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 120.124 1.329 . . . . 10.0 111.007 175.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 19.4 m -54.71 -48.41 72.52 Favored 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 126.097 1.759 . . . . 10.0 112.605 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.46 -11.66 31.56 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 114.873 1.434 . . . . 10.0 114.873 174.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -38.53 82.75 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.063 -1.023 . . . . 10.0 109.182 168.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 3.8 p -75.76 114.43 36.57 Favored Pre-proline 0 CA--C 1.546 0.798 0 N-CA-C 102.709 -3.071 . . . . 10.0 102.709 166.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.66 159.77 27.09 Favored 'Trans proline' 0 C--N 1.354 0.825 0 N-CA-C 117.074 1.913 . . . . 10.0 117.074 -168.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 21.2 p -59.57 -23.6 63.04 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 113.86 -1.518 . . . . 10.0 114.414 -169.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.7 t -51.86 -66.51 0.71 Allowed Pre-proline 0 CA--C 1.549 0.927 0 CA-C-O 117.63 -1.176 . . . . 10.0 113.247 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.83 -27.81 25.67 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.197 1.931 . . . . 10.0 112.596 169.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -82.0 16.78 1.77 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.845 1.658 . . . . 10.0 114.847 -176.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -61.4 -21.79 64.4 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 128.547 2.739 . . . . 10.0 113.084 172.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -62.83 172.65 1.61 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 123.686 1.708 . . . . 10.0 112.857 177.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -8.96 19.83 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.16 1.384 . . . . 10.0 113.647 -172.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -66.1 -22.75 66.42 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.244 1.384 . . . . 10.0 113.791 -171.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.57 -53.33 22.91 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.249 0 CA-C-N 119.89 1.223 . . . . 10.0 108.218 169.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -58.73 -41.33 86.19 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.115 1.766 . . . . 10.0 110.503 -175.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -68.5 -26.89 65.69 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.55 1.54 . . . . 10.0 112.513 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 28.4 mt -84.66 -47.0 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 119.962 1.256 . . . . 10.0 108.404 169.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 mt -39.31 -56.24 1.58 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 127.82 2.448 . . . . 10.0 113.717 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . 0.263 0.0 OUTLIER -65.39 -6.44 10.24 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 115.431 1.641 . . . . 10.0 115.431 -177.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 58.1 p -87.0 -6.23 58.82 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.969 1.259 . . . . 10.0 114.078 170.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.02 64.87 67.26 Favored Pre-proline 0 N--CA 1.47 0.535 0 N-CA-C 108.225 -1.028 . . . . 10.0 108.225 -172.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -47.01 -47.67 16.15 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 124.749 3.633 . . . . 10.0 116.35 -168.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -67.14 -37.73 84.32 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 119.555 1.07 . . . . 10.0 113.158 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.91 -37.48 84.44 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.72 -0.612 . . . . 10.0 110.163 171.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 5.0 ttt -60.71 -48.14 83.1 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.03 0.932 . . . . 10.0 110.791 175.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.25 97.63 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.141 0.577 . . . . 10.0 112.331 171.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.68 86.46 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.12 0.873 . . . . 10.0 113.197 175.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -59.5 -59.93 4.67 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.084 1.354 . . . . 10.0 108.816 169.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 91.0 mt -47.85 -46.9 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-N 119.632 1.106 . . . . 10.0 111.507 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -61.8 -60.04 4.25 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 113.838 1.051 . . . . 10.0 113.838 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.68 -30.95 66.26 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 120.149 1.341 . . . . 10.0 111.606 -174.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -60.73 -56.88 15.98 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.557 1.526 . . . . 10.0 110.797 170.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 23.5 p -53.68 -45.69 70.41 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 118.461 -0.78 . . . . 10.0 111.789 174.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.3 85.96 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.964 0.906 . . . . 10.0 113.334 175.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.36 -53.9 25.62 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.598 1.559 . . . . 10.0 109.376 172.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -61.0 -57.77 11.25 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 116.188 -1.863 . . . . 10.0 111.511 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 26.9 m -61.79 -20.38 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 122.499 2.409 . . . . 10.0 113.969 -172.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.46 -48.17 14.39 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 118.985 0.811 . . . . 10.0 111.734 169.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -32.6 70.33 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.649 1.58 . . . . 10.0 113.556 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -152.33 83.61 4.97 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 131.044 3.738 . . . . 10.0 108.934 -169.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -61.15 58.41 0.1 Allowed 'Trans proline' 0 CA--C 1.545 1.067 1 C-N-CA 125.334 4.023 . . . . 10.0 116.641 177.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 69.5 -21.48 0.43 Allowed Glycine 0 CA--C 1.538 1.508 0 C-N-CA 127.237 2.351 . . . . 10.0 116.358 174.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -36.21 83.5 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.027 1.414 . . . . 10.0 114.767 -172.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.191 1.796 . . . . 10.0 110.235 -176.494 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.5 tp10 . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 113.172 0.805 . . . . 10.0 113.172 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.08 21.48 2.19 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.939 1.256 . . . . 10.0 115.808 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 58.65 -45.21 0.06 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 130.732 3.613 . . . . 10.0 114.739 -173.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.7 m -56.65 -42.04 78.25 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 130.968 3.707 . . . . 10.0 112.23 175.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 39.5 p-10 -72.81 -45.09 60.31 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.1 2.16 . . . . 10.0 111.185 172.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -48.39 -40.15 24.77 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 129.088 2.955 . . . . 10.0 112.362 -169.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.46 HH12 ' CG ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -68.1 -38.55 82.43 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 112.846 0.684 . . . . 10.0 112.846 177.812 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.92 -32.96 65.67 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.955 0.902 . . . . 10.0 112.129 170.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.97 -45.97 83.46 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.46 1.027 . . . . 10.0 110.491 172.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.2 tp -55.1 -51.44 66.39 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.881 1.673 . . . . 10.0 110.316 173.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.46 ' CG ' HH12 ' A' ' 7' ' ' ARG 0.255 72.5 m-20 -53.58 -57.24 11.44 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 170.614 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -26.41 67.26 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 119.498 1.045 . . . . 10.0 112.78 -177.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -72.34 -52.58 15.53 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 117.367 -1.301 . . . . 10.0 110.67 172.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.412 ' CD2' ' HA ' ' A' ' 11' ' ' ASP . 7.3 p80 -66.26 -27.42 67.93 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 120.737 1.608 . . . . 10.0 112.141 -178.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.4 m -64.63 -53.77 42.39 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.135 1.374 . . . . 10.0 110.887 169.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 tp -49.34 -53.26 23.12 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 120.042 1.292 . . . . 10.0 110.004 171.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 tp -65.59 -14.71 61.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.477 1.511 . . . . 10.0 114.142 -174.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -135.98 21.67 3.27 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.12 0.968 . . . . 10.0 112.506 -171.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -61.4 -12.75 15.64 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 129.628 3.171 . . . . 10.0 115.936 -169.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.261 41.3 p 121.09 -19.45 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.871 1 C-N-CA 133.755 4.822 . . . . 10.0 112.71 -178.816 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -55.26 153.67 6.77 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 120.526 1.512 . . . . 10.0 112.949 174.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -147.82 -11.48 0.39 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.318 2.647 . . . . 10.0 114.826 -178.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.3 t -52.66 -41.33 63.71 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-N 121.747 2.067 . . . . 10.0 115.532 -168.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.9 -17.99 3.65 Favored Glycine 0 C--N 1.322 -0.234 0 O-C-N 124.643 1.214 . . . . 10.0 113.116 170.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 mt -57.25 -22.27 40.02 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 117.551 -1.214 . . . . 10.0 111.086 170.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -48.9 -41.05 32.24 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.919 1.236 . . . . 10.0 113.433 169.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -63.4 -51.41 65.94 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.178 0.991 . . . . 10.0 110.558 177.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.5 mm -67.66 -31.08 50.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 123.936 0.894 . . . . 10.0 110.102 -175.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -69.7 -53.97 16.0 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.173 1.389 . . . . 10.0 109.872 173.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.7 ptt85 -68.18 -32.69 73.11 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 118.257 -0.878 . . . . 10.0 112.943 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.2 -19.96 49.82 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.268 1.427 . . . . 10.0 112.398 170.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.4 mt -115.32 12.32 16.37 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.106 1.762 . . . . 10.0 111.611 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.05 14.18 51.88 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.084 1.326 . . . . 10.0 115.691 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.1 mt -52.93 -43.3 93.8 Favored Pre-proline 0 CA--C 1.549 0.919 0 CA-C-N 119.375 1.588 . . . . 10.0 114.796 -169.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -58.91 -26.23 80.23 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.237 1.958 . . . . 10.0 115.261 172.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -83.98 -35.95 23.55 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 118.277 -0.868 . . . . 10.0 110.825 169.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 73.0 mt -57.12 -27.77 62.11 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.786 1.175 . . . . 10.0 112.947 170.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.46 -50.93 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.335 1.054 . . . . 10.0 110.296 169.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -62.4 -41.92 99.04 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.215 1.406 . . . . 10.0 112.336 176.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -68.03 -20.0 64.95 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.805 1.242 . . . . 10.0 113.596 172.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.51 11.12 45.54 Favored Glycine 0 CA--C 1.532 1.142 0 N-CA-C 116.448 1.339 . . . . 10.0 116.448 169.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -58.63 -21.46 53.76 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 120.009 1.905 . . . . 10.0 114.762 -172.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.46 -23.7 67.51 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.906 -1.121 . . . . 10.0 113.233 172.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 68.0 mt -94.96 -15.63 23.41 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.075 1.139 . . . . 10.0 114.075 -172.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -70.05 163.62 59.62 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 124.153 0.981 . . . . 10.0 112.917 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -74.77 -3.82 14.47 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 C-N-CA 123.234 2.623 . . . . 10.0 114.618 170.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.811 0 C-N-CA 128.462 2.705 . . . . 10.0 112.007 -171.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo . . . . . 0 N--CA 1.486 1.04 0 N-CA-C 106.271 -2.242 . . . . 10.0 106.271 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 3.1 p30 179.63 -88.47 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.539 2.336 . . . . 10.0 109.117 -169.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -34.0 77.16 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 119.02 0.827 . . . . 10.0 110.042 169.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.9 p -84.85 103.85 14.28 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 104.914 -2.254 . . . . 10.0 104.914 167.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -8.38 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 125.265 1.426 . . . . 10.0 112.869 -174.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 81.4 p -109.9 -6.12 0.11 Allowed Pre-proline 0 C--O 1.218 -0.581 0 N-CA-C 118.929 2.937 . . . . 10.0 118.929 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -66.28 -19.6 56.0 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 CA-C-N 125.135 2.87 . . . . 10.0 114.077 -172.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 47.0 p -86.57 -49.14 7.76 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.435 1.094 . . . . 10.0 110.362 169.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.23 -29.27 57.69 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.474 1.509 . . . . 10.0 112.79 174.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 53.6 tp -57.32 -29.83 64.26 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 128.974 2.91 . . . . 10.0 112.543 170.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -92.26 -60.41 1.85 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.841 1.256 . . . . 10.0 109.452 168.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.2 -51.73 19.8 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 116.77 2.137 . . . . 10.0 116.77 -168.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.1 tp -77.62 -35.18 53.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 118.844 0.747 . . . . 10.0 110.149 -176.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.47 -52.92 63.54 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 116.828 -1.558 . . . . 10.0 111.197 170.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -64.04 -33.89 76.77 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 121.753 2.07 . . . . 10.0 112.516 176.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 20.8 m -65.16 -21.01 66.72 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.287 1.835 . . . . 10.0 114.555 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.06 -13.48 9.98 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 114.271 1.212 . . . . 10.0 114.271 169.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -29.15 69.62 Favored 'General case' 0 C--N 1.345 0.407 0 N-CA-C 108.465 -0.939 . . . . 10.0 108.465 167.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 5.4 p -89.85 111.57 47.07 Favored Pre-proline 0 CA--C 1.552 1.032 0 N-CA-C 101.886 -3.376 . . . . 10.0 101.886 165.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -60.46 162.37 17.89 Favored 'Trans proline' 0 C--N 1.351 0.678 0 N-CA-C 116.285 1.609 . . . . 10.0 116.285 -168.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 49.2 p -63.76 -16.05 60.19 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 117.847 -1.073 . . . . 10.0 113.719 -173.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -56.39 -59.82 10.94 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 120.088 1.313 . . . . 10.0 112.379 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -72.81 -35.13 6.0 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 CA-C-N 120.948 1.374 . . . . 10.0 111.256 168.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -81.93 36.43 0.45 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.578 1.551 . . . . 10.0 113.214 -176.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -78.54 -33.44 47.85 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 125.44 1.496 . . . . 10.0 114.568 -169.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.484 ' NE2' ' H ' ' B' ' 73' ' ' GLN . 2.2 pm0 -68.01 167.12 14.48 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 122.445 1.117 . . . . 10.0 111.381 177.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -65.21 18.52 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 115.604 1.705 . . . . 10.0 115.604 -173.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.8 -24.95 68.0 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.945 1.248 . . . . 10.0 112.748 170.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.79 -52.63 38.01 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 N-CA-C 107.049 -1.463 . . . . 10.0 107.049 169.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.55 -39.57 84.42 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.501 1.52 . . . . 10.0 111.776 -173.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -59.87 -35.27 74.46 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.754 1.222 . . . . 10.0 113.049 174.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 26.5 mt -87.47 -44.02 15.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-N 119.07 0.85 . . . . 10.0 109.971 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.2 mt -39.98 -54.7 2.17 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 128.448 2.699 . . . . 10.0 111.855 172.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -57.62 -18.23 18.91 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.128 1.158 . . . . 10.0 114.128 -174.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 82.4 p -79.82 -14.27 58.81 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 114.764 1.394 . . . . 10.0 114.764 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -124.15 96.37 42.23 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -55.26 -49.27 16.89 Favored 'Trans proline' 0 C--O 1.24 0.581 0 C-N-CA 124.136 3.224 . . . . 10.0 112.793 -173.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -60.29 -48.9 79.77 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.25 1.82 . . . . 10.0 111.369 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.32 -37.79 88.65 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 124.254 1.021 . . . . 10.0 110.611 176.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -52.23 66.27 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.773 1.17 . . . . 10.0 111.464 173.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.12 -44.66 97.0 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.506 0.594 . . . . 10.0 111.839 174.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.05 -39.08 88.49 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.411 1.084 . . . . 10.0 111.874 177.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -59.23 -60.3 4.08 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 124.995 1.318 . . . . 10.0 108.731 169.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 86.6 mt -49.02 -47.99 16.77 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 CA-C-N 119.877 1.217 . . . . 10.0 110.746 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -63.37 -60.61 3.16 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.372 1.069 . . . . 10.0 112.363 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.72 -25.18 61.96 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 117.288 -1.339 . . . . 10.0 111.52 -174.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -63.54 -48.74 76.26 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.397 1.453 . . . . 10.0 110.089 169.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.4 m -58.11 -41.96 84.68 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 122.05 -0.406 . . . . 10.0 111.186 175.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.73 -46.01 90.44 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.656 0.782 . . . . 10.0 112.36 170.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -41.71 64.95 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.8 1.64 . . . . 10.0 111.043 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -63.92 -60.32 3.41 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 118.378 -0.82 . . . . 10.0 111.168 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 33.8 m -62.33 -22.72 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 120.313 1.415 . . . . 10.0 114.185 -177.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.02 -32.93 17.35 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.344 1.609 . . . . 10.0 115.344 176.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.98 -18.7 3.33 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 114.76 1.393 . . . . 10.0 114.76 -169.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -141.71 67.28 23.61 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 124.557 1.143 . . . . 10.0 111.026 170.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.5 87.88 1.47 Allowed 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 122.631 2.221 . . . . 10.0 109.955 -176.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.97 57.12 1.03 Allowed Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.274 1.416 . . . . 10.0 113.683 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 25.6 ptp -150.8 173.69 13.93 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.517 1.927 . . . . 10.0 111.191 -175.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 . . . . . 0 C--O 1.256 1.438 0 C-N-CA 126.368 1.867 . . . . 10.0 109.758 173.733 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 113.221 0.823 . . . . 10.0 113.221 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.38 -23.19 68.65 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-O 118.735 -1.036 . . . . 10.0 112.279 169.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 76.59 58.82 0.04 OUTLIER 'General case' 0 C--O 1.233 0.227 0 C-N-CA 128.506 2.723 . . . . 10.0 109.76 -176.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.9 m -179.94 -42.04 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 128.022 2.529 . . . . 10.0 109.02 -177.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -54.72 -41.06 69.89 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.364 1.466 . . . . 10.0 111.159 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.4 pm0 -54.53 -24.85 22.49 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-O 116.242 -1.837 . . . . 10.0 114.863 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -62.88 -40.59 97.99 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 121.508 1.958 . . . . 10.0 111.719 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.91 -41.36 78.3 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.593 0.633 . . . . 10.0 111.975 175.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.01 -44.41 96.78 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 124.306 1.042 . . . . 10.0 110.797 177.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.06 -50.74 72.94 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 129.069 2.948 . . . . 10.0 110.378 173.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -57.2 -53.56 56.72 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 113.276 0.843 . . . . 10.0 113.276 174.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -65.82 -27.42 68.24 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 119.261 0.937 . . . . 10.0 112.866 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -79.42 -42.4 25.5 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.268 0.94 . . . . 10.0 111.683 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -69.92 -29.77 67.01 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.617 1.553 . . . . 10.0 111.779 174.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.0 m -69.13 -41.98 76.64 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 117.926 -1.035 . . . . 10.0 111.15 169.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.68 -55.03 21.85 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 120.117 1.326 . . . . 10.0 110.45 170.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -63.39 -19.36 64.6 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 114.46 1.281 . . . . 10.0 114.46 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.8 t -108.17 5.25 25.67 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.072 1.749 . . . . 10.0 115.643 -174.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -48.81 -5.81 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 131.004 3.721 . . . . 10.0 118.866 -169.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.6 p 116.84 -18.82 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.074 1 C-N-CA 135.243 5.417 . . . . 10.0 112.695 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -63.72 156.13 27.99 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-O 123.505 1.621 . . . . 10.0 113.217 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.18 -9.28 0.68 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 128.17 2.588 . . . . 10.0 112.793 169.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.1 p -48.76 -59.96 3.13 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.227 2.211 . . . . 10.0 113.851 -169.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.88 -11.02 29.27 Favored Glycine 0 N--CA 1.474 1.197 0 C-N-CA 124.25 0.929 . . . . 10.0 114.331 171.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.0 mt -65.79 -25.77 67.39 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 117.759 -1.115 . . . . 10.0 111.889 169.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -50.03 -41.52 47.6 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 120.079 1.309 . . . . 10.0 112.447 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -59.51 -50.53 73.56 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.482 1.113 . . . . 10.0 111.238 175.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.1 mm -66.9 -35.2 74.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 124.449 1.1 . . . . 10.0 110.062 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -68.84 -49.68 56.37 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.339 1.456 . . . . 10.0 110.013 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 ptt85 -70.38 -35.87 73.76 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 117.982 -1.008 . . . . 10.0 112.06 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.64 -20.49 60.95 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.708 1.003 . . . . 10.0 113.708 172.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.2 mt -115.11 16.96 16.96 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.51 1.524 . . . . 10.0 113.372 175.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.09 15.65 63.23 Favored Glycine 0 C--N 1.345 1.051 0 C-N-CA 123.96 0.79 . . . . 10.0 114.636 171.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.5 mt -59.25 -41.76 89.34 Favored Pre-proline 0 CA--C 1.554 1.101 0 O-C-N 121.375 -1.073 . . . . 10.0 112.915 -171.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -62.88 -27.64 75.0 Favored 'Trans proline' 0 CA--C 1.545 1.062 0 C-N-CA 122.534 2.156 . . . . 10.0 114.757 169.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -74.55 -35.64 63.09 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 120.516 -1.365 . . . . 10.0 110.719 171.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.51 -33.18 75.02 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.998 -1.064 . . . . 10.0 111.629 169.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.5 t -64.35 -52.55 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 169.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -51.68 -40.42 60.03 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.355 1.062 . . . . 10.0 113.301 176.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -72.08 -20.18 61.69 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.331 1.452 . . . . 10.0 114.2 173.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.0 8.2 87.71 Favored Glycine 0 C--N 1.343 0.959 0 C-N-CA 124.956 1.265 . . . . 10.0 114.605 -173.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -79.24 53.11 1.42 Allowed 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 119.166 1.483 . . . . 10.0 112.213 -175.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.0 -11.3 12.78 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 117.019 2.229 . . . . 10.0 117.019 -169.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.9 mt -137.35 -9.09 1.71 Allowed 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 116.047 1.869 . . . . 10.0 116.047 -169.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.6 165.18 55.31 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 125.564 1.546 . . . . 10.0 111.341 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -66.95 7.9 0.39 Allowed 'Trans proline' 0 CA--C 1.554 1.513 0 C-N-CA 123.508 2.805 . . . . 10.0 115.724 171.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.538 0 C-N-CA 125.652 1.581 . . . . 10.0 110.746 169.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo . . . . . 0 N--CA 1.475 0.41 0 N-CA-C 110.949 -0.443 . . . . 10.0 110.949 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.59 -38.23 1.17 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 114.155 1.168 . . . . 10.0 114.155 -169.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -98.83 -52.04 3.7 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 107.304 -1.369 . . . . 10.0 107.304 169.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 36.8 m -89.3 114.93 26.38 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 104.04 -2.578 . . . . 10.0 104.04 167.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . 0.432 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.3 OUTLIER -89.6 -20.3 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 CA-C-N 118.607 0.64 . . . . 10.0 110.681 -169.749 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 52.1 p -98.15 1.35 0.08 OUTLIER Pre-proline 0 C--O 1.222 -0.385 0 N-CA-C 119.552 3.168 . . . . 10.0 119.552 -174.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -64.13 -19.25 65.88 Favored 'Trans proline' 0 CA--C 1.549 1.274 0 CA-C-N 126.894 3.498 . . . . 10.0 113.456 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.7 p -81.07 -55.49 4.73 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.843 1.257 . . . . 10.0 110.837 169.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.42 -28.18 66.7 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 118.633 0.651 . . . . 10.0 112.314 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 23.8 tp -57.73 -25.1 59.93 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 127.685 2.394 . . . . 10.0 112.187 170.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -96.36 -58.98 1.93 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.069 0.948 . . . . 10.0 109.77 168.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.81 -38.62 37.77 Favored 'General case' 0 C--N 1.343 0.284 0 N-CA-C 116.853 2.168 . . . . 10.0 116.853 -168.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.0 tp -78.38 -33.99 48.55 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 120.607 1.548 . . . . 10.0 109.925 174.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.67 -55.65 30.76 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-O 117.519 -1.229 . . . . 10.0 111.077 174.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 40.6 ptt85 -57.83 -33.53 68.71 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.5 1.5 . . . . 10.0 112.232 173.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 15.4 m -66.97 -22.82 65.91 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.367 1.467 . . . . 10.0 114.053 -177.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.51 -13.46 11.57 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.236 1.198 . . . . 10.0 114.236 169.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -65.47 -39.9 92.53 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 107.397 -1.334 . . . . 10.0 107.397 167.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 13.6 p -71.45 120.9 82.54 Favored Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 104.752 -2.314 . . . . 10.0 104.752 167.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -62.93 156.82 51.94 Favored 'Trans proline' 0 C--N 1.354 0.826 0 N-CA-C 116.584 1.725 . . . . 10.0 116.584 -168.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 4.4 m -59.9 3.2 0.06 Allowed 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 129.853 3.261 . . . . 10.0 115.926 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.9 t -77.04 -69.68 0.22 Allowed Pre-proline 0 N--CA 1.468 0.442 0 CA-C-O 117.073 -1.442 . . . . 10.0 110.197 171.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -67.61 -24.77 41.32 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 CA-C-N 122.614 1.969 . . . . 10.0 113.107 169.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -89.54 8.84 29.11 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.389 1.255 . . . . 10.0 114.389 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -58.61 5.25 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 118.003 2.594 . . . . 10.0 118.003 -173.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -139.03 -171.85 3.19 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 123.633 1.682 . . . . 10.0 115.285 -169.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -51.77 -7.87 0.06 Allowed 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 118.437 2.754 . . . . 10.0 118.437 -169.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -66.4 -25.23 66.67 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 121.552 1.978 . . . . 10.0 113.302 171.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.72 -50.41 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 107.618 -1.252 . . . . 10.0 107.618 169.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.98 -38.02 89.45 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.277 1.031 . . . . 10.0 111.612 -173.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -59.03 -43.76 91.67 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 117.725 -1.131 . . . . 10.0 112.729 172.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 33.7 mt -78.29 -43.08 27.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 120.111 1.323 . . . . 10.0 110.006 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.2 mt -40.58 -59.59 1.32 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.637 1.975 . . . . 10.0 112.399 171.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.01 -8.73 17.27 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.58 1.326 . . . . 10.0 114.58 -176.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 52.7 p -88.5 -4.23 58.65 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.951 1.251 . . . . 10.0 114.259 173.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -132.74 73.44 76.14 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 106.479 -1.675 . . . . 10.0 106.479 -178.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -53.84 -33.66 72.17 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 123.307 2.672 . . . . 10.0 114.821 -168.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -68.35 -43.83 76.57 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.619 -0.676 . . . . 10.0 112.183 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.66 -36.85 85.59 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.888 0.875 . . . . 10.0 110.675 169.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 1.7 ttt -61.57 -48.27 81.74 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.052 0.842 . . . . 10.0 111.894 177.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.72 -46.54 90.01 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.699 0.8 . . . . 10.0 111.496 172.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.44 97.25 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.069 -0.967 . . . . 10.0 112.158 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -56.03 -56.79 16.55 Favored 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 125.073 1.349 . . . . 10.0 110.023 169.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 81.6 mt -50.78 -54.88 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.259 0.624 . . . . 10.0 110.529 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -64.32 -56.56 13.67 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.82 0.674 . . . . 10.0 112.82 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -68.06 -33.26 74.22 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 117.43 -1.271 . . . . 10.0 112.307 -176.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -61.02 -41.38 96.44 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 121.559 1.982 . . . . 10.0 109.443 170.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 4.2 m -60.34 -46.67 89.1 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.139 0.576 . . . . 10.0 111.068 174.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.71 -49.22 73.62 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.697 1.199 . . . . 10.0 111.986 171.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -42.89 66.68 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.87 1.668 . . . . 10.0 111.753 174.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -61.77 -61.06 2.77 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 118.995 0.816 . . . . 10.0 111.071 173.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 21.9 m -59.61 -27.59 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 119.544 1.065 . . . . 10.0 113.072 -175.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.99 -21.49 22.37 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 117.02 2.23 . . . . 10.0 117.02 177.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.67 -23.12 1.42 Allowed 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 115.081 1.511 . . . . 10.0 115.081 -173.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -144.44 69.26 15.48 Favored Pre-proline 0 CA--C 1.552 1.037 0 C-N-CA 125.616 1.566 . . . . 10.0 110.902 172.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.28 171.3 16.31 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 C-N-CA 122.883 2.388 . . . . 10.0 111.775 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -139.64 -99.23 0.42 Allowed Glycine 0 N--CA 1.471 1.009 0 C-N-CA 124.585 1.088 . . . . 10.0 110.897 174.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -75.35 -18.11 60.06 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 112.94 0.719 . . . . 10.0 112.94 169.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 C--O 1.25 1.089 0 C-N-CA 130.477 3.511 . . . . 10.0 107.251 169.894 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.43 11.58 6.06 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 125.488 1.518 . . . . 10.0 113.15 -178.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 63.9 -39.14 0.21 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 129.492 3.117 . . . . 10.0 114.528 -173.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.3 t -65.5 -16.3 63.52 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.389 1.255 . . . . 10.0 114.389 171.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -94.82 -42.91 8.47 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 127.917 2.487 . . . . 10.0 109.831 172.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.412 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 28.4 tt0 -53.03 -53.67 46.68 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 127.018 2.127 . . . . 10.0 111.935 174.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -62.58 -42.25 99.44 Favored 'General case' 0 C--O 1.228 -0.056 0 CA-C-N 118.428 0.558 . . . . 10.0 110.179 -176.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.12 -43.35 92.26 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.401 -0.809 . . . . 10.0 112.846 176.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.412 ' CD1' ' HA ' ' A' ' 6' ' ' GLU 0.32 0.0 OUTLIER -76.88 -30.77 56.36 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.623 1.102 . . . . 10.0 111.816 179.612 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.9 tp -60.78 -48.51 81.48 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.242 1.817 . . . . 10.0 110.384 169.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -57.75 -54.35 47.86 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 113.501 0.926 . . . . 10.0 113.501 169.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -20.97 66.54 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.445 1.021 . . . . 10.0 113.056 -179.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.46 -37.67 18.07 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-O 116.264 -1.827 . . . . 10.0 113.265 171.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . 0.274 8.4 p80 -69.97 -21.36 63.25 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 122.797 2.544 . . . . 10.0 111.45 171.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.2 m -69.02 -20.34 64.13 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.42 1.088 . . . . 10.0 112.007 168.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 tp -90.96 -60.42 1.91 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.256 1.023 . . . . 10.0 110.84 170.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 tp -69.24 -6.69 30.81 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 129.018 2.927 . . . . 10.0 112.208 -171.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 61.7 m -152.05 35.73 0.54 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.802 1.641 . . . . 10.0 109.946 170.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -46.32 -54.51 8.82 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.045 1.738 . . . . 10.0 110.844 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.9 p -157.19 -69.62 0.1 Allowed 'General case' 0 C--O 1.214 -0.772 0 C-N-CA 130.945 3.698 . . . . 10.0 106.483 171.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -148.88 -172.9 4.22 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.955 1.702 . . . . 10.0 110.604 171.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.61 155.63 22.11 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 129.136 2.974 . . . . 10.0 105.626 168.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.2 p -54.04 -54.1 43.84 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.229 1.411 . . . . 10.0 112.111 -175.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.37 -22.18 76.25 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 119.314 -0.715 . . . . 10.0 113.496 174.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp -56.34 -32.62 64.87 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 115.278 1.585 . . . . 10.0 115.278 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -54.57 -59.09 5.17 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.71 1.204 . . . . 10.0 112.019 170.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -61.21 -49.76 75.85 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 128.273 2.629 . . . . 10.0 110.838 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.2 mt -56.23 -41.26 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.662 1.185 . . . . 10.0 110.689 174.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.41 ' CG ' ' HE ' ' B' ' 94' ' ' ARG . 88.4 m-20 -66.5 -51.44 56.69 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 119.679 1.127 . . . . 10.0 110.395 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 -66.45 -28.48 68.63 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.896 -1.127 . . . . 10.0 112.435 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.86 -20.17 63.42 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.708 1.14 . . . . 10.0 112.578 169.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.5 mt -116.6 14.09 15.39 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 127.325 2.25 . . . . 10.0 113.295 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 57.79 24.47 53.66 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.765 1.174 . . . . 10.0 115.106 174.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.6 mm -52.85 -42.63 90.77 Favored Pre-proline 0 CA--C 1.556 1.188 0 CA-C-N 118.96 1.38 . . . . 10.0 112.742 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.17 -40.47 84.63 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.56 2.173 . . . . 10.0 115.323 175.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -68.36 -45.9 71.56 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.304 -0.872 . . . . 10.0 110.914 173.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.53 -30.86 70.01 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.305 1.442 . . . . 10.0 112.473 177.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 t -54.27 -49.69 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 126.114 1.766 . . . . 10.0 110.308 169.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.92 -22.55 49.47 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 118.663 -0.685 . . . . 10.0 112.481 179.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -69.31 -30.65 68.76 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.185 0.902 . . . . 10.0 112.759 170.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.31 14.17 19.08 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.505 1.05 . . . . 10.0 114.507 -178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -57.13 -19.2 18.58 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.945 1.698 . . . . 10.0 113.131 -173.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.04 -30.09 69.23 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 114.282 1.216 . . . . 10.0 114.282 171.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.5 mt -120.54 -14.76 8.61 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.82 1.248 . . . . 10.0 113.539 -169.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -58.25 156.85 19.28 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 123.688 0.795 . . . . 10.0 112.155 171.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -75.22 -0.51 10.13 Favored 'Trans proline' 0 CA--C 1.548 1.209 0 C-N-CA 123.454 2.769 . . . . 10.0 114.584 174.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.208 0 C-N-CA 130.283 3.433 . . . . 10.0 109.754 178.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' B' ' 51' ' ' SER . 18.0 Cg_endo . . . . . 0 N--CA 1.479 0.634 0 N-CA-C 107.862 -1.63 . . . . 10.0 107.862 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -132.1 -41.06 1.02 Allowed 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.6 -0.727 . . . . 10.0 112.714 -167.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -96.52 -64.18 1.07 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 104.986 -2.228 . . . . 10.0 104.986 168.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' B' ' 48' ' ' PRO . 4.5 m -85.68 113.72 22.1 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 106.991 -1.485 . . . . 10.0 106.991 170.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . 0.57 ' H ' HD11 ' B' ' 52' ' ' ILE . 0.1 OUTLIER -89.72 -12.12 9.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 124.46 1.104 . . . . 10.0 111.351 -168.789 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 31.9 p -105.86 5.07 0.08 OUTLIER Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 118.555 2.798 . . . . 10.0 118.555 -172.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -65.65 -19.49 59.88 Favored 'Trans proline' 0 CA--C 1.547 1.162 0 CA-C-N 125.96 3.164 . . . . 10.0 112.997 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 15.4 p -79.43 -52.56 7.9 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.664 1.586 . . . . 10.0 111.229 169.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.17 -29.96 61.57 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.342 1.457 . . . . 10.0 113.525 173.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.0 tp -54.53 -29.11 49.7 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.585 1.554 . . . . 10.0 112.26 169.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -92.17 -60.24 1.9 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.53 1.132 . . . . 10.0 109.374 169.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.44 -47.2 28.31 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 115.696 1.739 . . . . 10.0 115.696 -169.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 tp -70.64 -36.21 73.3 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.804 1.184 . . . . 10.0 110.575 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 tp -54.25 -59.02 5.23 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.376 1.07 . . . . 10.0 109.714 169.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -50.08 -47.57 53.61 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 126.228 1.811 . . . . 10.0 112.094 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 1.1 m -60.75 -19.92 60.15 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 127.076 2.15 . . . . 10.0 115.303 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.01 -18.34 10.13 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 124.304 1.003 . . . . 10.0 113.468 169.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -29.76 67.71 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 117.691 -1.147 . . . . 10.0 112.635 170.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 12.7 p -87.75 148.07 42.85 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 124.767 1.227 . . . . 10.0 108.068 168.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . 0.465 ' C ' ' H ' ' B' ' 69' ' ' SER . 24.1 Cg_exo -62.64 122.83 11.33 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.332 2.021 . . . . 10.0 115.6 -168.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 43.8 p -56.88 16.71 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 130.542 3.537 . . . . 10.0 116.075 173.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' SER . . . . . 0.465 ' H ' ' C ' ' B' ' 67' ' ' PRO . 14.7 t -86.31 -74.12 0.06 OUTLIER Pre-proline 0 CA--C 1.543 0.681 0 C-N-CA 126.42 1.888 . . . . 10.0 108.421 169.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.49 -27.64 22.73 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 CA-C-N 121.721 1.65 . . . . 10.0 111.149 169.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -80.09 57.8 2.79 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 125.895 1.678 . . . . 10.0 111.544 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -174.92 0.08 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 130.104 3.362 . . . . 10.0 114.298 -174.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -53.09 -59.64 4.29 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 125.913 1.685 . . . . 10.0 113.852 -174.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -53.63 -48.0 69.74 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 118.676 -0.678 . . . . 10.0 112.746 -169.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -67.13 -28.12 67.88 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 117.185 -1.388 . . . . 10.0 113.621 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -72.83 -52.41 22.8 Favored 'Isoleucine or valine' 0 C--N 1.344 0.348 0 C-N-CA 118.446 -1.302 . . . . 10.0 107.933 170.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -37.4 80.43 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.737 0.815 . . . . 10.0 111.705 -172.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -59.17 -36.98 76.27 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.19 1.796 . . . . 10.0 113.712 171.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 17.2 mt -90.22 -35.15 7.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 119.855 1.207 . . . . 10.0 109.934 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 6.8 mt -46.89 -57.05 5.33 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.902 2.081 . . . . 10.0 110.334 168.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -8.09 17.98 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.344 1.238 . . . . 10.0 114.344 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 28.5 p -83.21 -10.84 58.36 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.784 1.401 . . . . 10.0 114.784 170.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -137.01 74.27 50.58 Favored Pre-proline 0 C--N 1.324 -0.518 0 C-N-CA 123.371 0.668 . . . . 10.0 111.562 174.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -44.37 -33.68 6.53 Favored 'Trans proline' 0 CA--C 1.542 0.902 1 C-N-CA 126.281 4.654 . . . . 10.0 116.071 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -69.63 -42.96 73.6 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 120.996 -1.065 . . . . 10.0 112.852 173.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tt -64.53 -39.85 94.53 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.711 0.805 . . . . 10.0 110.148 169.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -48.1 80.95 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.294 1.437 . . . . 10.0 112.912 175.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.64 -46.82 88.87 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.253 -0.88 . . . . 10.0 111.779 171.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.46 79.19 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.998 0.74 . . . . 10.0 112.998 175.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -58.74 -60.6 3.57 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 125.185 1.394 . . . . 10.0 110.302 170.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 82.5 mt -50.66 -46.84 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 118.769 0.713 . . . . 10.0 110.926 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -58.06 -60.61 3.47 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.056 1.742 . . . . 10.0 112.546 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -35.22 77.74 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.627 1.103 . . . . 10.0 110.98 -176.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . 0.41 ' HE ' ' CG ' ' A' ' 29' ' ' ASP . 25.1 mmm180 -55.94 -49.23 74.07 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.454 -1.404 . . . . 10.0 110.802 169.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.0 m -63.49 -45.11 92.21 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 119.111 -0.471 . . . . 10.0 111.622 176.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.52 87.13 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.024 0.93 . . . . 10.0 112.593 176.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -48.46 -57.64 5.82 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 124.942 1.297 . . . . 10.0 109.494 169.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -56.74 -59.94 4.29 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 118.348 -0.834 . . . . 10.0 112.581 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 17.3 m -60.53 -25.54 34.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 CA-C-N 120.27 1.395 . . . . 10.0 113.54 -175.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.51 -7.49 54.84 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 115.899 1.815 . . . . 10.0 115.899 175.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -142.8 -32.53 0.48 Allowed 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.247 1.203 . . . . 10.0 114.247 -170.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -141.96 70.02 23.84 Favored Pre-proline 0 CA--C 1.554 1.108 0 C-N-CA 127.03 2.132 . . . . 10.0 109.861 173.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.29 76.23 3.15 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.653 2.902 . . . . 10.0 111.7 -176.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.49 67.36 1.91 Allowed Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.863 1.221 . . . . 10.0 111.541 173.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 16.1 ptm -141.93 156.79 45.49 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.232 1.413 . . . . 10.0 113.141 -174.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.124 1.77 . . . . 10.0 110.884 175.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 113.139 0.792 . . . . 10.0 113.139 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -93.2 -21.99 28.52 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-N 119.991 1.269 . . . . 10.0 113.61 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 105.39 -31.89 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.353 1 C-N-CA 131.975 4.11 . . . . 10.0 110.932 177.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.9 m -59.61 -29.48 68.02 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.841 1.256 . . . . 10.0 111.023 170.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -73.11 -60.97 1.98 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.321 1.048 . . . . 10.0 109.252 169.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -55.81 -38.71 70.35 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 117.565 -1.207 . . . . 10.0 112.541 -173.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -56.65 -36.51 69.6 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 120.596 1.543 . . . . 10.0 112.502 -170.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.36 -44.4 75.3 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.772 0.715 . . . . 10.0 112.737 171.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.01 -45.48 94.66 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 125.706 1.602 . . . . 10.0 110.198 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.31 -50.51 69.75 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 130.028 3.331 . . . . 10.0 110.351 176.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -57.68 -51.92 67.57 Favored 'General case' 0 C--N 1.344 0.34 0 N-CA-C 113.961 1.097 . . . . 10.0 113.961 173.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -64.54 -32.02 73.48 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-N 119.529 1.059 . . . . 10.0 112.53 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.6 tp -75.94 -43.58 44.18 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.183 0.901 . . . . 10.0 111.418 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -68.88 -30.93 69.54 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.907 1.231 . . . . 10.0 111.157 176.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.5 m -63.9 -50.55 68.3 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 117.485 -1.245 . . . . 10.0 110.234 169.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 tp -51.01 -52.8 39.26 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.675 1.125 . . . . 10.0 111.249 173.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.32 -22.33 65.97 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.832 1.049 . . . . 10.0 113.832 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 m -120.37 15.21 12.13 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.037 1.125 . . . . 10.0 114.037 -168.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -55.82 -0.24 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 130.756 3.622 . . . . 10.0 117.727 -169.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.8 p 111.31 -25.35 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.228 1 C-N-CA 134.442 5.097 . . . . 10.0 111.906 -175.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -61.31 157.47 16.42 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 123.523 1.63 . . . . 10.0 113.661 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -146.82 -1.01 0.7 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.121 2.168 . . . . 10.0 113.872 170.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 m -47.07 -48.84 22.43 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.741 2.016 . . . . 10.0 116.043 -168.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.66 -14.11 5.38 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 125.013 1.292 . . . . 10.0 112.655 169.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 mt -59.46 -24.63 63.71 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 121.653 -0.91 . . . . 10.0 110.878 169.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -41.99 -43.25 3.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.814 2.045 . . . . 10.0 114.715 170.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.16 -52.25 63.17 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.768 0.827 . . . . 10.0 112.603 172.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.1 mm -67.93 -28.34 40.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.184 1.394 . . . . 10.0 109.241 -174.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -70.87 -53.91 13.45 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.885 1.674 . . . . 10.0 110.92 172.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 ptt-85 -63.26 -34.17 77.08 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 117.842 -1.075 . . . . 10.0 112.396 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.9 -20.54 37.81 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.288 1.035 . . . . 10.0 113.782 175.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 mt -117.46 12.25 14.12 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.494 1.518 . . . . 10.0 111.715 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.14 11.91 64.69 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 124.251 0.929 . . . . 10.0 115.262 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.279 33.2 mt -50.13 -49.68 74.13 Favored Pre-proline 0 CA--C 1.547 0.857 0 CA-C-N 118.952 1.376 . . . . 10.0 113.771 -173.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -59.85 -26.1 81.31 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 122.543 2.162 . . . . 10.0 114.702 174.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -79.29 -37.71 37.1 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.164 -0.96 . . . . 10.0 111.72 172.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.4 mt -59.47 -30.12 68.3 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.332 0.515 . . . . 10.0 111.71 170.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.4 -59.31 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.761 1.624 . . . . 10.0 110.52 169.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -53.12 -48.01 68.18 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.938 0.895 . . . . 10.0 112.811 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -66.45 -19.9 65.91 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.708 1.603 . . . . 10.0 113.297 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.24 0.89 87.42 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-O 118.734 -1.037 . . . . 10.0 115.306 -174.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -51.45 -27.6 10.79 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 118.759 1.279 . . . . 10.0 112.086 170.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.86 -34.23 0.38 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.652 1.981 . . . . 10.0 114.611 169.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.8 mt -81.52 -10.85 59.38 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.868 1.433 . . . . 10.0 114.868 -178.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -78.69 172.91 8.64 Favored Pre-proline 0 CA--C 1.547 0.858 0 CA-C-N 119.576 1.08 . . . . 10.0 111.964 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -63.01 -6.52 9.69 Favored 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 123.127 2.551 . . . . 10.0 114.04 168.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.185 0 C-N-CA 129.652 3.181 . . . . 10.0 110.975 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo . . . . . 0 CA--C 1.535 0.54 0 N-CA-C 110.945 -0.444 . . . . 10.0 110.945 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -112.26 -66.98 1.03 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.855 1.262 . . . . 10.0 111.699 -169.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.606 HH12 ' NE2' ' B' ' 85' ' ' GLN . 42.1 tpt85 -81.89 -44.63 16.57 Favored 'General case' 0 C--N 1.343 0.295 0 CA-C-N 118.731 0.696 . . . . 10.0 109.265 170.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.9 m -84.02 101.85 12.06 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 104.748 -2.316 . . . . 10.0 104.748 168.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.74 -22.66 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 109.393 -0.595 . . . . 10.0 109.393 -171.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 50.3 p -88.84 1.36 0.06 OUTLIER Pre-proline 0 N--CA 1.465 0.282 0 N-CA-C 119.828 3.27 . . . . 10.0 119.828 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -64.11 -19.25 65.95 Favored 'Trans proline' 0 CA--C 1.549 1.274 0 CA-C-N 127.294 3.641 . . . . 10.0 113.346 174.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.1 p -81.01 -53.1 6.72 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.498 1.519 . . . . 10.0 111.397 169.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.77 -29.03 67.91 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.382 1.473 . . . . 10.0 111.903 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 20.6 tp -56.59 -22.05 31.03 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.967 2.507 . . . . 10.0 111.229 169.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -98.77 -58.81 1.86 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.401 1.08 . . . . 10.0 108.71 168.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.09 -39.05 34.73 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 117.537 2.421 . . . . 10.0 117.537 -168.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 tp -79.07 -34.63 43.5 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.428 1.013 . . . . 10.0 109.611 174.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 22.1 tp -61.65 -51.88 66.64 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 117.549 -1.215 . . . . 10.0 111.326 174.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 41.2 ptt85 -58.12 -41.25 83.22 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 120.611 1.551 . . . . 10.0 111.071 171.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 7.8 m -58.33 -33.35 69.41 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.916 1.686 . . . . 10.0 113.64 -176.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.59 -12.69 15.85 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.238 1.199 . . . . 10.0 114.238 173.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -58.58 -42.77 88.8 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 106.808 -1.553 . . . . 10.0 106.808 167.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 14.1 p -73.01 112.34 15.06 Favored Pre-proline 0 CA--C 1.543 0.711 0 N-CA-C 101.65 -3.463 . . . . 10.0 101.65 165.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -67.85 161.99 41.57 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 121.558 1.505 . . . . 10.0 115.519 -168.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 16.3 p -57.36 -23.91 51.95 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 115.757 1.762 . . . . 10.0 115.757 -169.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 32.5 t -46.7 -67.11 0.42 Allowed Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.604 1.161 . . . . 10.0 113.93 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.41 -20.78 18.0 Favored 'Trans proline' 0 CA--C 1.552 1.385 0 C-N-CA 121.863 1.709 . . . . 10.0 113.0 169.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -89.9 18.25 5.91 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.341 1.856 . . . . 10.0 114.653 -172.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.44 4.34 0.38 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.404 1.881 . . . . 10.0 115.254 -175.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -105.34 175.99 5.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 124.274 1.988 . . . . 10.0 115.783 -169.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -48.01 -13.52 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 128.137 2.575 . . . . 10.0 116.118 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -68.28 -22.48 64.74 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 121.425 1.92 . . . . 10.0 113.286 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -73.89 -53.22 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 107.453 -1.314 . . . . 10.0 107.453 169.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.44 -38.14 79.92 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.888 1.275 . . . . 10.0 111.25 -173.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -62.79 -28.66 70.14 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.98 1.312 . . . . 10.0 113.584 175.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 23.0 mt -90.14 -45.3 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-N 119.98 1.264 . . . . 10.0 109.839 172.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.4 mt -39.8 -59.6 1.14 Allowed 'General case' 0 C--N 1.344 0.355 0 C-N-CA 127.077 2.151 . . . . 10.0 112.891 172.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -13.19 52.96 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 114.28 1.215 . . . . 10.0 114.28 -173.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 52.2 p -82.25 -4.91 58.05 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.129 1.159 . . . . 10.0 114.129 173.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -134.16 82.54 47.58 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 119.211 0.914 . . . . 10.0 110.275 -174.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -49.64 -44.68 34.64 Favored 'Trans proline' 0 CA--C 1.535 0.542 0 C-N-CA 123.629 2.886 . . . . 10.0 115.516 -172.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.606 ' NE2' HH12 ' B' ' 50' ' ' ARG . 18.4 mt-30 -63.21 -45.69 90.5 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.445 0.535 . . . . 10.0 112.445 175.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.49 -35.61 80.69 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 118.478 -0.772 . . . . 10.0 110.745 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -49.21 74.06 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 120.009 1.277 . . . . 10.0 112.135 175.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.54 98.9 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.177 -0.952 . . . . 10.0 112.008 173.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.12 -37.26 86.51 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 118.21 -0.9 . . . . 10.0 112.856 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -57.8 -59.6 4.97 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 126.2 1.8 . . . . 10.0 108.361 169.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.37 -51.29 42.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 119.475 1.034 . . . . 10.0 110.719 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -61.0 2.95 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.654 1.182 . . . . 10.0 111.796 178.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -32.62 70.4 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 117.589 -1.196 . . . . 10.0 111.738 -173.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -61.16 -49.86 75.5 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 121.797 2.09 . . . . 10.0 109.88 170.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.7 m -61.33 -40.06 92.81 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.618 -0.676 . . . . 10.0 111.581 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.92 -48.29 81.12 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.871 0.869 . . . . 10.0 112.462 171.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -42.2 65.48 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.673 1.189 . . . . 10.0 111.104 177.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -61.2 -59.81 4.73 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 117.782 -1.104 . . . . 10.0 111.972 172.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 26.1 m -62.31 -24.71 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 120.366 1.439 . . . . 10.0 113.181 -176.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.19 -15.7 62.48 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.697 1.369 . . . . 10.0 114.697 171.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -128.86 -19.66 3.61 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 115.046 1.498 . . . . 10.0 115.046 -178.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -146.8 85.2 7.19 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 130.04 3.336 . . . . 10.0 108.412 171.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . 0.409 ' C ' ' H ' ' B' ' 105' ' ' MET . 97.6 Cg_endo -74.87 74.14 4.03 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.894 2.396 . . . . 10.0 111.819 -177.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.12 12.01 0.05 OUTLIER Glycine 0 CA--C 1.539 1.555 0 C-N-CA 127.109 2.29 . . . . 10.0 116.988 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' MET . . . . . 0.409 ' H ' ' C ' ' B' ' 103' ' ' PRO . 0.0 OUTLIER -126.26 -0.57 7.04 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 127.872 2.469 . . . . 10.0 113.318 177.804 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 . . . . . 0 C--O 1.246 0.87 0 C-N-CA 124.285 1.034 . . . . 10.0 112.601 173.175 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 112.849 0.685 . . . . 10.0 112.849 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.86 15.36 32.32 Favored Glycine 0 CA--C 1.532 1.108 0 CA-C-N 119.814 1.188 . . . . 10.0 113.222 -175.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 60.7 -30.28 0.06 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 130.742 3.617 . . . . 10.0 115.03 -176.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.0 t -66.69 -20.38 65.96 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 117.542 -1.218 . . . . 10.0 112.277 169.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -89.31 -33.67 16.84 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 119.626 1.103 . . . . 10.0 109.526 169.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.441 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 17.5 tt0 -56.2 -58.75 6.61 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 118.054 -0.974 . . . . 10.0 111.329 172.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 mmm-85 -59.54 -38.97 82.46 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 119.071 -1.052 . . . . 10.0 112.798 -169.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.86 -49.18 73.77 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.773 0.829 . . . . 10.0 112.784 171.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 6' ' ' GLU 0.392 0.0 OUTLIER -71.97 -32.4 67.22 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 120.08 1.309 . . . . 10.0 113.16 -178.588 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.6 tp -63.11 -46.9 85.12 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 128.874 2.869 . . . . 10.0 110.097 170.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -58.16 -54.14 50.39 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.423 0.898 . . . . 10.0 113.423 172.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -63.71 -29.33 70.57 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.342 0.974 . . . . 10.0 113.113 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.0 tp -75.06 -40.17 60.44 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.921 0.782 . . . . 10.0 111.868 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -73.23 -26.23 61.05 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.662 1.119 . . . . 10.0 111.952 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.4 m -63.19 -51.4 66.49 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.381 0.991 . . . . 10.0 110.554 169.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.5 tp -49.46 -53.65 21.89 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.704 0.802 . . . . 10.0 110.461 171.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mt -65.17 -4.6 5.23 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.098 1.518 . . . . 10.0 115.098 176.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.557 ' HB2' ' HE3' ' B' ' 97' ' ' LYS . 84.8 p -138.61 15.64 2.73 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 119.523 -1.986 . . . . 10.0 114.626 -172.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -53.5 -6.83 0.08 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 131.174 3.79 . . . . 10.0 116.736 -177.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.7 p 117.56 -17.61 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.432 1 C-N-CA 135.167 5.387 . . . . 10.0 113.341 178.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -66.76 149.86 49.94 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 122.551 1.167 . . . . 10.0 113.497 173.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.64 -3.13 1.69 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.436 2.294 . . . . 10.0 113.805 170.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.7 m -50.17 -53.65 26.31 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 126.737 2.015 . . . . 10.0 113.669 -169.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.87 -25.04 8.71 Favored Glycine 0 CA--C 1.524 0.607 0 CA-C-O 119.482 -0.621 . . . . 10.0 113.776 171.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.28 -24.23 67.58 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 117.914 -1.041 . . . . 10.0 112.357 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -47.28 -42.97 21.91 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.329 1.052 . . . . 10.0 111.093 168.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.8 -51.02 68.72 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.776 1.171 . . . . 10.0 112.162 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.0 mm -59.74 -40.66 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 123.915 0.886 . . . . 10.0 109.768 176.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -74.52 -39.1 62.6 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 124.578 1.151 . . . . 10.0 110.732 -173.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -68.12 -34.82 77.08 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 119.686 1.13 . . . . 10.0 112.071 169.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.22 -20.02 62.32 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.295 0.952 . . . . 10.0 113.174 170.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.0 mt -108.36 10.88 27.46 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 125.811 1.644 . . . . 10.0 112.056 174.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.27 7.41 51.63 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 125.393 1.473 . . . . 10.0 115.224 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.264 59.5 mt -53.16 -46.04 97.98 Favored Pre-proline 0 CA--C 1.541 0.607 0 C-N-CA 126.032 1.733 . . . . 10.0 115.157 -170.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -53.52 -40.77 77.67 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 122.585 2.19 . . . . 10.0 113.62 170.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -75.88 -25.31 56.0 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.641 1.109 . . . . 10.0 113.054 174.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.28 -33.35 75.11 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 120.037 1.289 . . . . 10.0 111.296 169.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.94 -60.61 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.485 1.114 . . . . 10.0 110.078 169.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -57.66 -39.86 78.04 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.351 0.523 . . . . 10.0 111.842 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . 2.296 29.3 pt20 -59.19 -19.75 47.99 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 129.316 3.046 . . . . 10.0 114.435 175.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.38 -10.37 16.86 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.521 1.534 . . . . 10.0 113.991 -169.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -57.94 -15.79 10.02 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.316 1.846 . . . . 10.0 113.423 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.3 -28.07 39.74 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.945 1.698 . . . . 10.0 113.036 169.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.5 mt -79.76 -7.58 58.73 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.995 1.318 . . . . 10.0 114.191 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -72.35 169.72 15.67 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 124.666 1.186 . . . . 10.0 112.447 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -63.04 -24.81 73.59 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 122.468 2.112 . . . . 10.0 113.919 168.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.256 1.402 0 C-N-CA 128.158 2.583 . . . . 10.0 110.737 170.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' B' ' 51' ' ' SER . 23.5 Cg_endo . . . . . 0 N--CA 1.481 0.762 0 N-CA-C 108.338 -1.447 . . . . 10.0 108.338 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -126.64 -41.0 1.88 Allowed 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 113.843 1.053 . . . . 10.0 113.843 -167.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . 0.269 0.0 OUTLIER -117.66 -5.4 11.14 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.484 1.113 . . . . 10.0 112.563 168.137 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' B' ' 48' ' ' PRO . 70.7 m -126.81 98.44 5.36 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 101.054 -3.684 . . . . 10.0 101.054 167.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -89.6 -15.25 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 119.53 1.059 . . . . 10.0 110.583 -169.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 3.5 p -98.21 6.09 0.07 OUTLIER Pre-proline 0 CA--C 1.543 0.698 0 N-CA-C 118.821 2.897 . . . . 10.0 118.821 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -63.12 -18.8 66.81 Favored 'Trans proline' 0 CA--C 1.551 1.362 0 CA-C-N 126.585 3.388 . . . . 10.0 113.269 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.4 p -78.5 -53.91 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 125.942 1.697 . . . . 10.0 111.175 169.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.9 -26.78 62.63 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.255 1.422 . . . . 10.0 112.562 172.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.51 -22.87 62.24 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.595 1.958 . . . . 10.0 112.317 170.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -94.37 -59.96 1.83 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.248 1.019 . . . . 10.0 108.759 169.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.99 -53.77 9.33 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.766 1.395 . . . . 10.0 114.766 -169.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.0 tp -68.23 -34.77 76.85 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.527 -1.358 . . . . 10.0 110.345 178.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.54 -60.65 3.14 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 117.606 -1.188 . . . . 10.0 110.471 170.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -35.49 70.6 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 120.327 1.421 . . . . 10.0 112.197 178.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 1.2 m -62.63 -20.96 65.31 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.447 1.899 . . . . 10.0 115.285 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.52 -19.34 9.48 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 124.817 1.323 . . . . 10.0 113.635 172.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -61.63 -40.72 95.88 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 107.71 -1.218 . . . . 10.0 107.71 167.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 10.3 p -68.46 127.94 93.14 Favored Pre-proline 0 CA--C 1.546 0.805 0 N-CA-C 105.515 -2.032 . . . . 10.0 105.515 167.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.03 151.88 45.28 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 121.496 1.464 . . . . 10.0 114.982 -168.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 1.1 m -58.37 15.67 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.751 1 C-N-CA 131.885 4.074 . . . . 10.0 116.024 -170.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.2 t -76.52 -81.8 0.04 OUTLIER Pre-proline 0 CA--C 1.539 0.528 0 C-N-CA 124.908 1.283 . . . . 10.0 110.718 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -72.52 -24.03 19.4 Favored 'Trans proline' 0 C--N 1.359 1.12 0 CA-C-N 122.47 1.918 . . . . 10.0 111.549 169.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -68.36 -3.99 13.0 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 125.601 1.56 . . . . 10.0 113.87 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -20.78 63.65 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.127 1.771 . . . . 10.0 112.274 168.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -59.27 160.26 6.74 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 122.511 1.148 . . . . 10.0 113.05 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -51.22 -2.44 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 128.928 2.891 . . . . 10.0 115.989 171.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -60.41 -31.07 70.03 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 119.879 1.218 . . . . 10.0 113.012 169.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.84 -52.61 38.06 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 C-N-CA 119.107 -1.037 . . . . 10.0 108.426 171.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.77 -43.49 72.84 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.2 1.4 . . . . 10.0 110.906 -175.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -59.35 -33.91 71.73 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.564 1.146 . . . . 10.0 113.351 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 7.6 mt -91.0 -36.77 8.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 119.032 0.833 . . . . 10.0 111.545 175.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.2 mt -46.3 -45.45 17.41 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 127.502 2.321 . . . . 10.0 112.864 174.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -59.86 -14.51 15.52 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.838 1.421 . . . . 10.0 114.838 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 90.0 p -73.62 -56.17 5.35 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.737 1.384 . . . . 10.0 114.737 -172.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -89.47 105.04 9.34 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 119.414 1.006 . . . . 10.0 108.916 170.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -60.98 -31.91 91.85 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 122.847 2.365 . . . . 10.0 111.949 -174.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -72.99 -41.55 64.19 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.99 0.916 . . . . 10.0 110.521 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.17 -41.49 92.97 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.408 1.004 . . . . 10.0 110.383 169.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -50.48 73.47 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 175.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.89 99.7 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 112.335 0.494 . . . . 10.0 112.335 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.7 76.85 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.84 1.256 . . . . 10.0 110.993 175.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -49.2 -60.33 2.9 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.587 1.555 . . . . 10.0 109.267 170.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 85.9 mt -50.95 -55.05 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 119.555 1.071 . . . . 10.0 111.555 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -57.6 11.56 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.844 0.858 . . . . 10.0 111.724 -179.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -67.17 -39.95 86.55 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.634 1.573 . . . . 10.0 112.408 -175.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -61.5 -44.48 96.99 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 119.911 1.232 . . . . 10.0 110.958 172.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 3.1 m -59.51 -49.93 75.88 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 118.923 -0.56 . . . . 10.0 110.099 176.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.43 -45.89 69.6 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 118.412 -0.804 . . . . 10.0 111.663 170.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . 0.557 ' HE3' ' HB2' ' A' ' 18' ' ' SER . 5.9 tppt? -50.22 -19.79 0.88 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.145 1.778 . . . . 10.0 115.03 177.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -103.83 -14.35 16.07 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 116.031 1.863 . . . . 10.0 116.031 175.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . 0.488 14.1 m -60.63 -49.97 82.31 Favored 'Isoleucine or valine' 0 C--N 1.344 0.351 0 CA-C-N 120.513 1.506 . . . . 10.0 113.242 -170.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.441 ' C ' ' H ' ' B' ' 102' ' ' GLN . . . -90.98 29.76 1.32 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 119.732 -0.787 . . . . 10.0 111.587 167.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 2.5 t30 69.8 -37.41 0.38 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 129.169 2.988 . . . . 10.0 110.266 -167.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . 0.441 ' H ' ' C ' ' B' ' 100' ' ' ALA . 16.0 mp0 -149.27 102.07 3.33 Favored Pre-proline 0 CA--C 1.547 0.846 1 C-N-CA 135.277 5.431 . . . . 10.0 100.992 167.469 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -55.93 -10.16 3.85 Favored 'Trans proline' 0 CA--C 1.544 0.999 1 C-N-CA 127.915 5.743 . . . . 10.0 116.126 -166.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 71.81 -52.38 1.26 Allowed Glycine 0 CA--C 1.533 1.21 0 C-N-CA 126.611 2.053 . . . . 10.0 114.003 -170.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 19.9 ptp -80.88 -4.51 55.07 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.079 1.752 . . . . 10.0 115.719 -175.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 C--O 1.254 1.315 0 C-N-CA 126.408 1.883 . . . . 10.0 111.609 -175.584 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 109.915 -0.402 . . . . 10.0 109.915 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.479 ' C ' ' H ' ' A' ' 4' ' ' SER . . . -133.08 35.49 2.29 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 127.629 2.538 . . . . 10.0 109.242 170.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 54.4 -6.59 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 129.91 3.284 . . . . 10.0 116.723 -175.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.479 ' H ' ' C ' ' A' ' 2' ' ' GLY . 1.1 m -131.42 -29.3 1.79 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 128.729 2.811 . . . . 10.0 112.757 -168.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -57.53 -28.6 63.64 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.209 1.404 . . . . 10.0 111.762 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -39.58 -44.83 1.51 Allowed 'General case' 0 CA--C 1.513 -0.46 0 C-N-CA 127.277 2.231 . . . . 10.0 112.088 170.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.491 ' HE ' ' CG ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -59.52 -51.98 67.53 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 120.584 1.538 . . . . 10.0 112.394 -177.084 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.44 -39.86 92.58 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.661 -0.685 . . . . 10.0 112.452 176.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.4 mt -63.25 -52.82 60.59 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 118.519 0.6 . . . . 10.0 110.657 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.3 tp -60.17 -45.64 92.4 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 125.148 1.379 . . . . 10.0 110.28 178.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.491 ' CG ' ' HE ' ' A' ' 7' ' ' ARG . 81.5 m-20 -59.01 -51.44 70.06 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.492 0.587 . . . . 10.0 112.206 177.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -24.47 63.23 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 118.042 -0.98 . . . . 10.0 113.247 178.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.87 -47.52 25.14 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 120.167 1.348 . . . . 10.0 111.211 172.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -65.86 -30.16 70.73 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 120.681 1.582 . . . . 10.0 111.095 176.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.6 m -59.83 -55.43 34.28 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.8 0.84 . . . . 10.0 109.209 169.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tp -50.88 -55.74 15.58 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.736 0.814 . . . . 10.0 112.236 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.97 -17.67 64.83 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.607 1.336 . . . . 10.0 114.607 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 p -125.07 11.21 8.22 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 115.004 1.483 . . . . 10.0 115.004 -172.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -47.04 -5.62 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.873 1 C-N-CA 132.596 4.359 . . . . 10.0 118.585 -172.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.1 p 112.08 -18.96 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.08 1 C-N-CA 134.462 5.105 . . . . 10.0 112.03 -171.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -67.19 156.28 36.67 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 121.544 1.975 . . . . 10.0 113.918 174.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.67 -1.16 0.8 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.084 2.154 . . . . 10.0 113.679 169.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 m -47.37 -42.81 22.5 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 116.79 2.144 . . . . 10.0 116.79 -167.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.27 -15.37 3.41 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 124.273 0.94 . . . . 10.0 113.69 168.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 mt -59.88 -24.79 64.55 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 123.702 0.801 . . . . 10.0 111.033 169.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -44.02 -43.52 6.77 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.076 1.751 . . . . 10.0 114.428 170.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -66.8 -49.06 67.03 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.944 0.898 . . . . 10.0 112.025 174.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 mm -61.92 -38.47 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 124.265 1.026 . . . . 10.0 109.77 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -62.4 -53.64 52.04 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 125.253 1.421 . . . . 10.0 109.931 175.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.9 ptt-85 -67.14 -35.01 78.8 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.191 0.905 . . . . 10.0 112.778 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.82 -20.18 61.14 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.311 1.044 . . . . 10.0 113.392 172.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.8 mt -112.47 16.4 19.86 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.761 1.624 . . . . 10.0 111.724 174.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.78 11.41 49.72 Favored Glycine 0 C--N 1.343 0.971 0 C-N-CA 125.363 1.459 . . . . 10.0 115.3 175.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.264 20.1 mt -55.08 -43.0 98.83 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-N 118.856 1.328 . . . . 10.0 113.406 -170.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -55.99 -34.29 91.81 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.849 2.366 . . . . 10.0 115.081 169.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.63 -46.47 63.26 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 120.914 -1.116 . . . . 10.0 110.33 169.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.8 mt -52.45 -38.25 58.84 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.35 0.977 . . . . 10.0 111.946 174.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.08 -59.49 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.718 1.207 . . . . 10.0 110.991 169.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -51.0 -41.93 60.07 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.946 1.298 . . . . 10.0 113.415 178.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -68.86 -20.03 64.27 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 128.848 2.859 . . . . 10.0 113.307 175.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.48 4.45 68.08 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.643 1.592 . . . . 10.0 114.876 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -62.78 -12.87 27.09 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.382 1.873 . . . . 10.0 113.643 -172.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.03 -31.82 31.54 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.149 -0.969 . . . . 10.0 112.012 169.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.4 mt -81.66 -15.03 55.83 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 114.487 1.291 . . . . 10.0 114.487 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -80.8 160.07 67.42 Favored Pre-proline 0 N--CA 1.472 0.65 0 CA-C-N 119.564 1.074 . . . . 10.0 112.103 176.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.59 -8.75 24.09 Favored 'Trans proline' 0 CA--C 1.548 1.179 0 C-N-CA 123.184 2.589 . . . . 10.0 114.312 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.203 0 C-N-CA 126.956 2.102 . . . . 10.0 108.046 170.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' B' ' 51' ' ' SER . 14.6 Cg_endo . . . . . 0 N--CA 1.48 0.703 0 N-CA-C 109.473 -1.011 . . . . 10.0 109.473 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -132.89 -24.95 1.88 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.635 0.976 . . . . 10.0 113.635 -168.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -118.6 -54.82 2.24 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 127.946 2.498 . . . . 10.0 106.631 168.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' B' ' 48' ' ' PRO . 16.8 m -90.88 102.75 15.51 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 105.179 -2.156 . . . . 10.0 105.179 168.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . 0.43 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.2 OUTLIER -89.58 -15.06 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 109.142 -0.688 . . . . 10.0 109.142 -170.417 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 34.1 p -94.0 5.75 0.06 OUTLIER Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 119.85 3.278 . . . . 10.0 119.85 -175.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -64.18 -20.16 66.82 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 CA-C-N 126.248 3.267 . . . . 10.0 113.011 173.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 16.2 p -81.41 -50.93 8.87 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.085 1.754 . . . . 10.0 111.744 169.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.8 -26.86 67.6 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.867 0.867 . . . . 10.0 112.9 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 27.1 tp -60.13 -24.33 64.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 127.127 2.171 . . . . 10.0 111.288 169.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -90.97 -60.01 2.02 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 169.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.62 -40.05 17.93 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 118.8 2.889 . . . . 10.0 118.8 -167.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 14.5 tp -77.78 -35.65 51.31 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.088 1.313 . . . . 10.0 109.512 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.72 -52.35 63.59 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.061 1.344 . . . . 10.0 110.705 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 39.5 ptt85 -60.13 -35.74 75.94 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 121.318 1.872 . . . . 10.0 112.297 172.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 5.2 m -62.65 -25.38 68.1 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.855 1.662 . . . . 10.0 113.911 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.64 -13.82 12.09 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 114.406 1.261 . . . . 10.0 114.406 170.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -61.86 -37.39 84.33 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 106.363 -1.718 . . . . 10.0 106.363 167.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 8.9 p -75.61 110.49 10.77 Favored Pre-proline 0 CA--C 1.548 0.866 0 N-CA-C 103.077 -2.934 . . . . 10.0 103.077 166.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.18 155.08 41.84 Favored 'Trans proline' 0 C--N 1.353 0.815 0 N-CA-C 117.459 2.061 . . . . 10.0 117.459 -168.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 45.3 p -60.11 -24.57 64.76 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 114.173 -1.376 . . . . 10.0 113.763 -169.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 29.2 t -49.26 -65.8 0.74 Allowed Pre-proline 0 CA--C 1.55 0.96 0 CA-C-O 117.24 -1.362 . . . . 10.0 113.327 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.83 -23.74 25.57 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 CA-C-N 122.327 1.867 . . . . 10.0 112.972 169.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -89.8 17.28 6.8 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.938 1.695 . . . . 10.0 113.722 -171.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.33 13.95 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.947 2.099 . . . . 10.0 115.301 -175.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -117.28 176.3 5.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 116.563 2.061 . . . . 10.0 116.563 -169.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -49.73 -11.95 0.06 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.203 2.201 . . . . 10.0 115.947 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -66.48 -25.79 66.88 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-N 121.529 1.968 . . . . 10.0 113.61 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.49 -51.94 37.23 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 N-CA-C 107.774 -1.195 . . . . 10.0 107.774 169.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.05 -36.63 82.21 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.186 1.395 . . . . 10.0 111.369 -172.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -64.62 -30.61 71.63 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.014 1.725 . . . . 10.0 113.352 176.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.6 mt -89.78 -43.85 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.817 0.735 . . . . 10.0 109.914 174.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 mt -40.28 -55.69 2.13 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 127.331 2.252 . . . . 10.0 111.469 173.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -57.05 -23.22 44.95 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 114.648 1.351 . . . . 10.0 114.648 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 60.5 p -79.26 -7.38 58.23 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.985 0.914 . . . . 10.0 113.466 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -132.13 85.72 49.0 Favored Pre-proline 0 CA--C 1.535 0.39 0 O-C-N 120.75 -1.219 . . . . 10.0 108.901 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -51.12 -45.62 35.72 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 124.021 3.147 . . . . 10.0 114.833 -170.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -62.02 -44.58 96.4 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 112.918 0.711 . . . . 10.0 112.918 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.76 -40.77 98.3 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 125.332 1.453 . . . . 10.0 110.367 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -52.93 63.57 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.127 0.971 . . . . 10.0 113.359 171.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.34 -43.73 98.14 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.536 0.607 . . . . 10.0 112.203 176.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.58 92.96 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.933 0.893 . . . . 10.0 112.703 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -56.59 -60.22 3.86 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 124.44 1.096 . . . . 10.0 109.237 169.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 63.2 mt -51.17 -53.56 14.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 118.615 0.643 . . . . 10.0 110.838 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.413 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.0 OUTLIER -58.15 -60.16 4.19 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 123.47 0.708 . . . . 10.0 112.345 -179.861 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -32.95 70.67 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 117.01 -1.472 . . . . 10.0 111.737 -174.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -57.3 -48.91 77.73 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 121.542 1.974 . . . . 10.0 110.85 169.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.6 m -61.18 -44.2 97.67 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.422 0.689 . . . . 10.0 110.581 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.96 -44.56 97.14 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.598 0.759 . . . . 10.0 112.948 172.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.54 -48.26 48.51 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.826 2.051 . . . . 10.0 109.89 173.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -59.12 -61.14 2.86 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-O 118.694 -0.67 . . . . 10.0 112.137 175.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 29.3 m -60.79 -24.4 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 113.779 1.029 . . . . 10.0 113.779 -174.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.97 -20.33 23.43 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 116.255 1.946 . . . . 10.0 116.255 176.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -142.39 -21.69 0.68 Allowed 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 120.742 1.61 . . . . 10.0 114.19 -170.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -142.43 70.68 21.52 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 126.875 2.07 . . . . 10.0 109.435 170.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -73.52 -10.14 23.47 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.005 1.803 . . . . 10.0 112.46 -172.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.45 42.65 0.85 Allowed Glycine 0 CA--C 1.538 1.517 0 C-N-CA 125.628 1.585 . . . . 10.0 112.856 169.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 33.28 -19.51 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.593 1 C-N-CA 135.039 5.335 . . . . 10.0 121.657 -169.76 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 . . . . . 0 C--O 1.253 1.242 0 CA-C-O 115.406 -2.235 . . . . 10.0 112.348 -179.681 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 118.081 -0.961 . . . . 10.0 113.118 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.36 4.34 68.4 Favored Glycine 0 CA--C 1.543 1.819 0 CA-C-N 121.118 1.781 . . . . 10.0 113.932 174.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 61.43 -30.3 0.07 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 130.175 3.39 . . . . 10.0 114.445 -170.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t -65.9 -8.0 19.75 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.975 1.31 . . . . 10.0 112.649 169.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -94.81 -60.34 1.72 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.731 2.012 . . . . 10.0 109.397 169.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -40.8 -48.08 2.99 Favored 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 128.979 2.912 . . . . 10.0 111.988 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -64.79 -39.68 94.0 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 119.659 1.118 . . . . 10.0 111.722 -173.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.01 -42.95 75.73 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.721 0.809 . . . . 10.0 111.207 174.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.3 mt -62.31 -43.08 99.65 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.093 0.957 . . . . 10.0 111.784 176.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 tp -58.88 -50.11 75.23 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 128.413 2.685 . . . . 10.0 111.019 171.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -59.22 -51.83 68.3 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 177.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -65.43 -26.89 68.17 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 177.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 mt -75.56 -47.55 26.26 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 119.56 1.073 . . . . 10.0 113.751 172.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -66.36 -27.51 67.94 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 120.709 1.595 . . . . 10.0 111.226 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.4 m -71.14 -43.62 67.2 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 117.149 -1.405 . . . . 10.0 111.693 169.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 tp -50.97 -53.71 30.69 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 121.267 1.849 . . . . 10.0 110.331 169.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -64.36 -15.49 60.51 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.248 1.203 . . . . 10.0 114.248 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.439 ' C ' ' H ' ' A' ' 20' ' ' THR . 34.1 t -123.58 16.52 9.59 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 120.068 -1.645 . . . . 10.0 113.488 -173.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -52.08 -0.67 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 130.627 3.571 . . . . 10.0 117.518 -172.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.439 ' H ' ' C ' ' A' ' 18' ' ' SER . 49.6 p 115.68 -16.73 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.104 1 C-N-CA 135.571 5.549 . . . . 10.0 112.241 178.69 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.86 159.72 33.29 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-O 123.7 1.714 . . . . 10.0 114.567 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -143.49 -4.86 0.86 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 127.933 2.493 . . . . 10.0 112.987 169.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.7 m -50.05 -47.77 53.28 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 127.733 2.413 . . . . 10.0 115.652 -168.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.31 -12.23 7.63 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 123.747 0.689 . . . . 10.0 113.344 169.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mt -62.58 -22.97 66.76 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 118.251 -0.881 . . . . 10.0 112.144 169.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.06 -40.86 7.11 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.616 1.566 . . . . 10.0 114.347 169.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -59.06 -54.13 50.54 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 119.429 1.013 . . . . 10.0 112.053 170.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.0 mm -69.27 -31.88 51.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.459 0.704 . . . . 10.0 109.269 -170.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -65.18 -53.25 47.64 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.765 1.626 . . . . 10.0 110.346 171.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -64.88 -38.49 91.16 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.929 1.24 . . . . 10.0 112.192 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.41 -19.94 57.91 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.422 1.089 . . . . 10.0 113.902 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.1 mt -118.21 17.83 13.88 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.489 1.516 . . . . 10.0 111.309 176.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.91 6.48 24.81 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 126.164 1.84 . . . . 10.0 115.627 174.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.269 18.0 mt -46.6 -46.48 48.93 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 126.345 1.858 . . . . 10.0 113.99 -169.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -55.54 -28.12 63.18 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.182 2.588 . . . . 10.0 115.681 176.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -73.33 -41.15 63.83 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.683 1.583 . . . . 10.0 110.579 171.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.8 mt -57.38 -24.02 52.77 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.134 1.374 . . . . 10.0 112.885 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.3 t -64.02 -58.9 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 126.269 1.828 . . . . 10.0 110.453 170.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -61.49 -32.88 72.91 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.79 0.836 . . . . 10.0 111.862 176.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -64.69 -19.88 65.99 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.254 1.422 . . . . 10.0 113.498 171.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.78 14.01 81.81 Favored Glycine 0 C--N 1.349 1.297 0 O-C-N 120.85 -1.156 . . . . 10.0 113.944 -174.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -60.09 -20.62 59.09 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.639 1.575 . . . . 10.0 113.952 -171.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.1 -28.0 56.02 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.319 1.048 . . . . 10.0 113.731 169.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.9 mt -97.11 -12.87 22.62 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.89 1.07 . . . . 10.0 113.89 -171.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -70.52 143.89 90.79 Favored Pre-proline 0 CA--C 1.546 0.796 0 CA-C-N 119.62 1.1 . . . . 10.0 111.526 173.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -74.83 -0.75 10.28 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.787 2.991 . . . . 10.0 113.891 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.885 0 C-N-CA 127.46 2.304 . . . . 10.0 109.041 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo . . . . . 0 CA--C 1.539 0.74 0 N-CA-C 110.445 -0.637 . . . . 10.0 110.445 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -134.33 -59.73 0.82 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.672 0.789 . . . . 10.0 112.093 -168.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -81.72 -62.6 1.6 Allowed 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 104.768 -2.308 . . . . 10.0 104.768 168.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 53.5 p -70.17 114.1 7.99 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 108.047 -1.094 . . . . 10.0 108.047 168.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.64 -18.27 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 123.649 0.78 . . . . 10.0 110.537 -177.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 57.5 p -98.01 5.85 0.07 OUTLIER Pre-proline 0 C--O 1.221 -0.396 0 N-CA-C 119.135 3.013 . . . . 10.0 119.135 -175.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -66.33 -19.82 55.57 Favored 'Trans proline' 0 CA--C 1.547 1.169 0 CA-C-N 125.701 3.072 . . . . 10.0 112.722 175.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 16.1 p -80.66 -51.48 8.65 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 125.411 1.484 . . . . 10.0 110.583 169.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.0 -29.47 70.29 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.599 1.16 . . . . 10.0 112.564 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 15.9 tp -57.2 -28.83 63.2 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 127.653 2.381 . . . . 10.0 111.697 170.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -90.74 -60.48 1.91 Allowed 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.188 -0.671 . . . . 10.0 109.188 168.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.6 -37.55 27.44 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 119.329 3.085 . . . . 10.0 119.329 -167.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 tp -79.85 -38.68 32.26 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 120.151 1.341 . . . . 10.0 109.367 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 14.7 tp -55.82 -51.91 65.85 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 125.885 1.674 . . . . 10.0 109.742 170.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -52.74 -53.65 44.94 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 125.071 1.349 . . . . 10.0 111.173 168.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 9.0 m -54.82 -33.46 61.64 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.703 1.601 . . . . 10.0 114.491 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.06 -14.51 15.89 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.935 1.087 . . . . 10.0 113.935 172.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -37.92 78.07 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-O 118.234 -0.889 . . . . 10.0 108.628 168.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 25.3 p -76.77 113.47 30.06 Favored Pre-proline 0 CA--C 1.544 0.743 0 N-CA-C 103.694 -2.706 . . . . 10.0 103.694 166.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -62.01 159.01 35.93 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 N-CA-C 118.217 2.353 . . . . 10.0 118.217 -168.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 79.3 p -56.61 -32.91 65.74 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 126.957 2.103 . . . . 10.0 113.614 -169.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.7 t -46.87 -67.34 0.4 Allowed Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 125.206 1.402 . . . . 10.0 113.811 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -68.87 -23.44 35.04 Favored 'Trans proline' 0 C--N 1.358 1.037 0 CA-C-N 121.716 1.648 . . . . 10.0 113.093 170.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -88.41 11.81 15.93 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.566 1.546 . . . . 10.0 115.018 -173.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -71.63 46.36 0.12 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.55 1.94 . . . . 10.0 114.54 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -142.56 179.17 7.13 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 123.361 1.553 . . . . 10.0 113.146 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -62.85 -5.6 2.99 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.68 1.592 . . . . 10.0 115.272 -169.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -67.55 -23.27 65.41 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 121.306 1.866 . . . . 10.0 112.85 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -72.39 -52.31 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 107.55 -1.278 . . . . 10.0 107.55 169.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.32 -37.92 79.01 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.466 1.106 . . . . 10.0 111.234 -174.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -62.43 -30.2 71.05 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.323 1.449 . . . . 10.0 113.861 175.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.2 mt -90.26 -43.6 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 118.935 0.789 . . . . 10.0 109.829 174.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mt -40.82 -60.05 1.27 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.791 2.036 . . . . 10.0 111.248 172.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -14.07 61.07 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 114.449 1.277 . . . . 10.0 114.449 -173.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 48.0 p -77.19 -7.68 56.26 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.767 1.025 . . . . 10.0 113.767 173.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -131.21 84.44 57.01 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 125.013 1.325 . . . . 10.0 108.099 -175.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -49.36 -48.27 19.32 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 124.65 3.566 . . . . 10.0 115.066 -169.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -63.67 -46.13 86.96 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.519 1.528 . . . . 10.0 112.14 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.11 -42.41 94.65 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.473 0.709 . . . . 10.0 109.948 174.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 4.4 ttt -63.1 -47.59 82.16 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.514 0.726 . . . . 10.0 112.119 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.2 95.86 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.467 0.576 . . . . 10.0 112.103 174.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.21 -45.05 92.13 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 118.667 -0.682 . . . . 10.0 111.655 174.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -52.6 -58.59 6.3 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.9 1.68 . . . . 10.0 108.573 171.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 88.8 mt -52.88 -53.03 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 119.055 0.843 . . . . 10.0 110.458 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -60.07 -59.13 5.91 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.856 0.863 . . . . 10.0 112.2 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -70.42 -34.49 72.57 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.956 1.302 . . . . 10.0 112.382 -173.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -59.3 -43.66 92.6 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 121.262 1.846 . . . . 10.0 109.706 169.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.0 m -60.75 -43.0 98.52 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-O 119.149 -0.453 . . . . 10.0 111.984 172.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.9 -50.48 72.39 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.603 1.161 . . . . 10.0 112.468 173.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -49.22 -47.09 46.55 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.206 1.803 . . . . 10.0 110.896 170.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -65.6 -55.99 14.66 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.927 1.084 . . . . 10.0 113.927 175.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.71 -20.54 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-N 120.63 1.559 . . . . 10.0 113.936 -173.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.33 -6.15 59.26 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.87 1.433 . . . . 10.0 114.87 171.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.39 -38.1 2.59 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.448 1.899 . . . . 10.0 111.562 -170.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -142.25 86.53 10.06 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 129.912 3.285 . . . . 10.0 106.584 170.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -58.07 162.48 11.4 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.238 2.625 . . . . 10.0 114.244 -174.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.09 52.66 1.37 Allowed Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.306 1.432 . . . . 10.0 112.481 171.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 15.6 ptt? -86.05 1.65 49.51 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 127.415 2.286 . . . . 10.0 114.231 -172.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.137 0 C-N-CA 127.083 2.153 . . . . 10.0 108.131 175.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 120.763 0.316 . . . . 10.0 110.793 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -134.35 -12.94 1.36 Allowed Glycine 0 N--CA 1.471 1.019 0 CA-C-O 118.234 -1.314 . . . . 10.0 115.865 176.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 75.7 -36.31 0.29 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 129.026 2.93 . . . . 10.0 111.122 -170.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.9 m -61.76 -7.17 3.23 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.959 1.304 . . . . 10.0 113.293 169.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -104.54 -10.56 17.53 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 127.892 2.477 . . . . 10.0 110.315 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.426 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 1.4 mm-40 -64.14 -52.33 59.61 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 117.866 -1.064 . . . . 10.0 111.327 178.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -40.79 -45.14 2.39 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 115.882 1.808 . . . . 10.0 115.882 -168.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.11 -45.29 74.09 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 120.579 1.536 . . . . 10.0 114.204 174.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.426 ' CD1' ' HA ' ' A' ' 6' ' ' GLU 0.292 0.0 OUTLIER -76.84 -31.02 56.59 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.867 1.212 . . . . 10.0 111.645 178.72 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.81 -47.39 83.66 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 127.876 2.47 . . . . 10.0 109.819 169.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -58.03 -52.8 64.01 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-O 117.752 -1.118 . . . . 10.0 112.742 169.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -26.85 67.34 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 120.424 1.465 . . . . 10.0 112.954 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.42 -45.78 36.82 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 119.878 1.217 . . . . 10.0 111.483 172.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . 0.263 4.1 p80 -68.72 -28.69 67.05 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 121.057 1.753 . . . . 10.0 111.335 177.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 m -64.88 -43.4 93.03 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.931 0.892 . . . . 10.0 110.915 169.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tp -58.01 -54.27 48.87 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 119.884 1.22 . . . . 10.0 110.706 171.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.73 -19.49 63.98 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.949 1.25 . . . . 10.0 113.159 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.9 t -119.08 20.97 12.55 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.896 1.279 . . . . 10.0 114.314 -176.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -54.89 -15.29 1.86 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 127.237 2.215 . . . . 10.0 113.855 -175.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.307 49.4 p 121.25 -10.15 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.807 1 C-N-CA 135.169 5.387 . . . . 10.0 111.257 169.498 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -59.45 152.32 21.9 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 123.883 1.802 . . . . 10.0 112.047 170.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.15 -6.61 1.6 Allowed 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 127.192 2.197 . . . . 10.0 112.632 171.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.2 m -43.41 -57.5 3.03 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 126.666 1.986 . . . . 10.0 116.25 -168.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.31 -2.71 21.46 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 124.677 1.132 . . . . 10.0 111.881 168.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.75 -28.32 66.69 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-O 118.039 -0.982 . . . . 10.0 111.612 169.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -55.1 -36.09 65.31 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.749 1.62 . . . . 10.0 112.589 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -65.42 -50.73 64.35 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.715 2.006 . . . . 10.0 113.082 169.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 mt -59.9 -40.71 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.684 0.794 . . . . 10.0 110.429 175.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -60.1 -52.17 66.47 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.615 1.566 . . . . 10.0 110.83 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.7 ptt-85 -63.9 -38.81 92.45 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 118.17 -0.919 . . . . 10.0 112.673 173.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.63 -19.9 59.31 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.7 1.0 . . . . 10.0 113.7 174.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.2 mt -116.65 22.74 12.5 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.634 1.574 . . . . 10.0 112.567 169.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 67.36 5.07 33.65 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 125.496 1.522 . . . . 10.0 116.321 169.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.8 mt -52.33 -47.11 93.89 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-N 119.652 1.726 . . . . 10.0 114.006 -171.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.42 -31.54 92.73 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 122.508 2.139 . . . . 10.0 113.273 174.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -73.83 -36.72 64.95 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.109 -0.995 . . . . 10.0 111.405 171.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.85 -32.61 69.59 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.741 1.155 . . . . 10.0 112.007 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.9 t -65.65 -48.2 83.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 123.86 0.864 . . . . 10.0 110.444 169.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -58.88 -45.54 89.96 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.946 1.248 . . . . 10.0 111.807 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -61.2 -19.65 61.86 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.985 2.114 . . . . 10.0 113.779 170.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.82 15.79 60.81 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.78 1.181 . . . . 10.0 113.949 173.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -79.82 48.82 0.99 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 126.277 1.831 . . . . 10.0 111.123 -170.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.86 -71.42 0.07 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.791 2.836 . . . . 10.0 117.898 -169.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.2 mt -128.47 -12.17 5.01 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.447 1.277 . . . . 10.0 114.447 -168.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 2.3 mp0 -62.06 158.96 41.27 Favored Pre-proline 0 CA--C 1.549 0.939 0 CA-C-O 117.632 -1.175 . . . . 10.0 110.628 178.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -53.07 2.33 0.04 OUTLIER 'Trans proline' 0 CA--C 1.542 0.904 1 C-N-CA 125.816 4.344 . . . . 10.0 120.229 -174.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.449 ' C ' ' HZ3' ' B' ' 92' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.356 0 C-N-CA 127.5 2.32 . . . . 10.0 109.483 169.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo . . . . . 0 CA--C 1.54 0.805 0 N-CA-C 110.621 -0.569 . . . . 10.0 110.621 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -118.42 -7.36 10.67 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 114.603 -1.18 . . . . 10.0 113.361 -168.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -125.63 -55.86 1.51 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 127.484 2.313 . . . . 10.0 106.529 169.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.1 m -83.95 113.17 20.79 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 104.198 -2.519 . . . . 10.0 104.198 167.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -90.47 -23.85 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 119.4 1.0 . . . . 10.0 111.044 -170.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' SER . . . . . 0.414 ' CB ' HD21 ' B' ' 83' ' ' ASN . 13.7 p -100.14 9.04 0.06 OUTLIER Pre-proline 0 CA--C 1.544 0.738 0 N-CA-C 119.491 3.145 . . . . 10.0 119.491 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -63.69 -19.12 66.76 Favored 'Trans proline' 0 C--N 1.353 0.816 0 CA-C-N 125.647 3.052 . . . . 10.0 113.591 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 p -83.31 -48.89 9.93 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.801 1.641 . . . . 10.0 112.119 170.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.24 -31.9 61.88 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.831 1.652 . . . . 10.0 112.565 169.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 39.4 tp -55.73 -25.89 42.66 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.262 1.825 . . . . 10.0 112.033 169.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -90.97 -60.37 1.93 Allowed 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 109.052 -0.722 . . . . 10.0 109.052 169.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.66 -48.32 19.39 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 115.644 1.72 . . . . 10.0 115.644 -168.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 16.6 tp -67.78 -39.8 84.05 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.832 1.196 . . . . 10.0 110.125 177.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 21.6 tp -55.78 -54.14 48.05 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.432 1.093 . . . . 10.0 110.087 174.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -51.31 -48.15 62.41 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.122 1.769 . . . . 10.0 112.177 170.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.56 -19.65 63.9 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 127.364 2.265 . . . . 10.0 115.5 -175.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.1 -18.58 10.58 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 168.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -57.17 -41.2 78.79 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 107.067 -1.457 . . . . 10.0 107.067 168.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 8.5 p -74.69 109.79 8.14 Favored Pre-proline 0 CA--C 1.548 0.874 0 N-CA-C 103.495 -2.78 . . . . 10.0 103.495 167.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -59.84 148.01 90.12 Favored 'Trans proline' 0 C--N 1.353 0.805 0 N-CA-C 117.278 1.991 . . . . 10.0 117.278 -167.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.4 p -51.97 -28.13 15.72 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 127.403 2.281 . . . . 10.0 115.573 -169.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 29.9 t -42.06 -65.37 0.52 Allowed Pre-proline 0 CA--C 1.545 0.756 0 C-N-CA 126.613 1.965 . . . . 10.0 113.486 -173.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -84.09 -25.98 2.05 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.179 1.92 . . . . 10.0 111.794 169.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -74.13 35.72 0.09 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.829 2.452 . . . . 10.0 114.638 -171.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -66.87 -179.18 0.85 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 129.124 2.969 . . . . 10.0 115.042 -175.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 0.81 -96.46 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 130.774 3.629 . . . . 10.0 117.411 -176.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -39.58 -60.24 0.99 Allowed 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 126.651 1.98 . . . . 10.0 115.637 -168.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -68.55 -32.38 72.28 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 121.088 1.767 . . . . 10.0 114.068 -173.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -71.06 -51.6 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 118.405 -1.318 . . . . 10.0 108.117 171.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -53.31 -43.18 67.38 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.584 1.554 . . . . 10.0 110.964 -175.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -58.39 -40.06 81.33 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.563 1.545 . . . . 10.0 113.392 178.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 7.2 mt -90.48 -33.4 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-O 118.869 -0.586 . . . . 10.0 110.2 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mt -44.2 -56.04 4.39 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 128.079 2.552 . . . . 10.0 111.013 170.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -64.5 -15.3 60.6 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.032 1.123 . . . . 10.0 114.032 -175.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 76.6 p -71.03 -26.73 63.23 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.217 1.007 . . . . 10.0 113.619 -175.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . 0.414 HD21 ' CB ' ' B' ' 53' ' ' SER . 43.4 t-20 -114.93 108.79 48.01 Favored Pre-proline 0 N--CA 1.449 -0.515 0 N-CA-C 107.75 -1.204 . . . . 10.0 107.75 169.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -62.49 -33.88 77.44 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 123.419 2.746 . . . . 10.0 111.712 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -65.41 -50.48 65.32 Favored 'General case' 0 C--N 1.346 0.446 0 C-N-CA 124.311 1.044 . . . . 10.0 110.195 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.22 -41.02 98.0 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-O 118.846 -0.597 . . . . 10.0 110.443 175.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 4.2 ttt -60.75 -46.7 89.44 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.917 1.235 . . . . 10.0 111.663 177.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.09 96.1 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.573 -0.705 . . . . 10.0 111.376 175.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.67 -41.27 94.73 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 118.204 -0.903 . . . . 10.0 111.946 175.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -55.17 -57.96 9.62 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 124.885 1.274 . . . . 10.0 110.176 170.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 96.8 mt -52.96 -52.66 26.9 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 118.297 0.499 . . . . 10.0 110.237 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.449 ' HZ3' ' C ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -59.56 -59.86 4.77 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.634 -0.666 . . . . 10.0 111.968 178.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -71.73 -32.04 67.33 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 117.026 -1.464 . . . . 10.0 112.181 -172.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -59.74 -42.15 92.51 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 122.51 2.414 . . . . 10.0 109.937 169.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.8 m -61.76 -46.93 87.46 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 119.293 -0.384 . . . . 10.0 111.162 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.52 -48.57 74.46 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.199 0.999 . . . . 10.0 112.642 171.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -46.46 62.98 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.308 1.843 . . . . 10.0 110.925 174.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -59.87 -59.51 5.31 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 119.093 0.86 . . . . 10.0 112.159 175.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.46 -22.99 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 119.263 0.938 . . . . 10.0 113.42 -176.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.85 -32.61 16.81 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.529 1.307 . . . . 10.0 114.529 177.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.28 -14.6 5.35 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.617 1.098 . . . . 10.0 113.947 -169.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -142.59 62.97 13.6 Favored Pre-proline 0 N--CA 1.475 0.822 0 CA-C-N 120.344 1.429 . . . . 10.0 111.086 170.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -72.06 27.2 0.26 Allowed 'Trans proline' 0 CA--C 1.55 1.304 0 C-N-CA 125.116 3.877 . . . . 10.0 114.861 -172.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 72.25 -50.99 1.34 Allowed Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.657 1.598 . . . . 10.0 111.789 -169.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 14.5 ptp -70.4 75.83 0.55 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.699 1.6 . . . . 10.0 110.674 169.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.242 0 C-N-CA 126.494 1.917 . . . . 10.0 111.444 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 . . . . . 0 N--CA 1.488 1.438 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' A' ' 4' ' ' SER . . . -156.89 18.55 0.41 Allowed Glycine 0 N--CA 1.472 1.038 0 O-C-N 121.252 -0.905 . . . . 10.0 114.34 -175.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 58.69 -10.27 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 128.308 2.643 . . . . 10.0 115.658 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 2' ' ' GLY . 14.5 m -94.03 -44.39 8.07 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 129.0 2.92 . . . . 10.0 109.292 -177.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -64.22 -44.12 92.87 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 128.581 2.752 . . . . 10.0 107.66 169.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.422 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 38.0 tp10 -51.23 -54.69 23.27 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 118.132 -0.937 . . . . 10.0 111.191 169.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.75 -45.53 93.96 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.88 1.218 . . . . 10.0 111.81 -173.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.44 -39.4 88.88 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 176.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.422 ' CD1' ' HA ' ' A' ' 6' ' ' GLU 0.407 0.0 OUTLIER -77.55 -32.29 53.78 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.187 0.903 . . . . 10.0 112.391 -179.65 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.0 tp -57.42 -46.87 83.05 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 128.505 2.722 . . . . 10.0 109.411 169.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -56.9 -54.45 46.37 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 124.022 0.929 . . . . 10.0 113.43 173.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -65.62 -26.86 68.01 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.906 1.23 . . . . 10.0 112.864 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.9 tp -77.97 -40.15 40.26 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.462 1.028 . . . . 10.0 111.964 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -73.33 -28.98 62.36 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.6 1.091 . . . . 10.0 111.54 172.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.6 m -60.59 -54.71 42.12 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.718 0.807 . . . . 10.0 110.037 169.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tp -48.19 -51.32 25.73 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.219 1.008 . . . . 10.0 111.34 173.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.418 ' HA ' ' CD2' ' B' ' 64' ' ' LEU . 7.0 mt -67.69 -17.97 64.76 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.893 1.442 . . . . 10.0 114.893 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 94.7 p -125.11 11.87 8.25 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 120.708 -1.245 . . . . 10.0 113.69 -170.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -49.26 -10.44 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 131.504 3.922 . . . . 10.0 117.888 -173.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.262 40.9 p 120.53 -18.21 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.935 1 C-N-CA 134.414 5.086 . . . . 10.0 113.34 -178.794 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -66.04 152.91 43.61 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 120.977 1.717 . . . . 10.0 112.745 175.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.64 -6.11 1.34 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.568 2.347 . . . . 10.0 113.263 169.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.7 m -52.29 -45.47 65.51 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.947 2.099 . . . . 10.0 115.623 -168.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.61 -19.05 5.07 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 123.71 0.671 . . . . 10.0 112.669 170.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mt -58.5 -26.9 63.95 Favored 'General case' 0 C--O 1.224 -0.269 0 O-C-N 121.414 -1.051 . . . . 10.0 112.657 170.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.81 -40.24 9.44 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.315 1.446 . . . . 10.0 114.184 171.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.63 -54.08 44.92 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.784 1.234 . . . . 10.0 112.659 173.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.9 mt -64.47 -35.43 74.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 124.101 0.96 . . . . 10.0 109.433 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -64.03 -53.33 51.56 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 126.011 1.724 . . . . 10.0 110.126 175.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.7 ptt-85 -61.97 -38.18 87.57 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 119.597 1.089 . . . . 10.0 112.489 175.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.99 -19.87 63.27 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.514 1.126 . . . . 10.0 113.895 177.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.8 mt -111.91 14.86 20.94 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.039 1.335 . . . . 10.0 112.675 171.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.76 17.57 60.66 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.76 1.172 . . . . 10.0 114.585 177.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.307 19.9 mt -51.98 -50.73 76.72 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 119.048 1.424 . . . . 10.0 112.846 -170.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -54.74 -27.46 52.25 Favored 'Trans proline' 0 CA--C 1.552 1.421 0 C-N-CA 123.838 3.025 . . . . 10.0 116.47 170.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.09 -40.78 26.88 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.408 1.004 . . . . 10.0 110.568 172.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.6 mt -59.76 -32.95 71.05 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.297 -0.877 . . . . 10.0 112.818 170.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.2 t -60.38 -57.51 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 127.021 2.128 . . . . 10.0 110.705 169.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -53.3 -40.43 64.75 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.052 0.941 . . . . 10.0 111.519 170.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . 2.284 13.3 pt20 -56.62 -20.12 19.55 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 129.106 2.962 . . . . 10.0 115.171 172.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.78 4.09 84.82 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.583 1.087 . . . . 10.0 115.187 -172.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -76.27 77.48 3.05 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 118.897 1.349 . . . . 10.0 110.529 -175.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -139.43 3.03 2.09 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 116.703 2.112 . . . . 10.0 116.703 -169.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -141.99 -17.07 0.76 Allowed 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 116.262 1.949 . . . . 10.0 116.262 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -78.12 167.67 33.81 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 125.843 1.657 . . . . 10.0 111.008 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -58.49 -10.27 8.58 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.728 2.952 . . . . 10.0 117.615 170.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.256 1.407 0 C-N-CA 126.421 1.888 . . . . 10.0 109.11 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' B' ' 51' ' ' SER . 13.9 Cg_exo . . . . . 0 N--CA 1.482 0.814 0 N-CA-C 112.863 0.293 . . . . 10.0 112.863 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -144.23 -58.65 0.38 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.033 1.333 . . . . 10.0 112.66 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -78.0 -28.04 49.13 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.152 0.581 . . . . 10.0 110.256 169.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' B' ' 48' ' ' PRO . 4.8 m -118.15 109.09 15.98 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 106.636 -1.616 . . . . 10.0 106.636 169.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -90.02 -7.56 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 C-N-CA 125.235 1.414 . . . . 10.0 112.76 177.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 42.5 p -112.61 11.23 0.08 OUTLIER Pre-proline 0 CA--C 1.549 0.938 0 N-CA-C 117.941 2.571 . . . . 10.0 117.941 174.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -63.77 -18.95 66.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 CA-C-N 124.335 2.584 . . . . 10.0 114.16 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 31.6 p -84.88 -51.35 6.8 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.816 1.646 . . . . 10.0 112.004 169.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.92 -25.03 18.35 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.882 1.673 . . . . 10.0 112.747 172.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 58.7 tp -55.14 -32.94 62.48 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.87 2.068 . . . . 10.0 112.542 169.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -90.4 -56.0 3.38 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.728 -0.842 . . . . 10.0 108.728 168.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.56 -60.42 2.43 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 115.013 1.486 . . . . 10.0 115.013 -169.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 tp -69.46 -32.0 70.65 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.589 0.631 . . . . 10.0 110.121 -175.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 23.1 tp -58.59 -57.63 12.14 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 117.439 -1.267 . . . . 10.0 110.652 169.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 27.7 ptt-85 -61.65 -36.86 82.01 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 121.07 1.759 . . . . 10.0 112.647 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.49 -20.44 60.06 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.219 2.208 . . . . 10.0 115.049 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.418 ' CD2' ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -119.57 -16.98 8.79 Favored 'General case' 0 C--N 1.345 0.405 0 N-CA-C 114.432 1.271 . . . . 10.0 114.432 171.597 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -31.09 72.15 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-O 118.054 -0.974 . . . . 10.0 109.306 167.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 5.4 p -77.61 130.88 72.5 Favored Pre-proline 0 CA--C 1.542 0.657 0 N-CA-C 104.042 -2.577 . . . . 10.0 104.042 167.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.31 152.66 61.32 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 N-CA-C 116.487 1.687 . . . . 10.0 116.487 -167.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 2.5 m -52.05 -21.8 3.5 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 128.656 2.782 . . . . 10.0 115.735 -170.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 29.7 t -47.82 -72.12 0.15 Allowed Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.498 1.519 . . . . 10.0 113.277 -176.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -78.87 -28.05 4.3 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 CA-C-N 121.802 1.679 . . . . 10.0 110.705 168.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -68.79 -7.06 30.63 Favored 'General case' 0 C--N 1.343 0.299 0 N-CA-C 115.054 1.501 . . . . 10.0 115.054 -171.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -22.75 3.91 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 127.103 2.161 . . . . 10.0 113.451 169.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -64.1 171.03 3.18 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 115.772 1.768 . . . . 10.0 115.772 -176.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -47.24 -24.2 0.68 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 127.906 2.482 . . . . 10.0 113.875 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -53.41 -37.6 62.68 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 117.522 -1.228 . . . . 10.0 114.165 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -66.81 -52.31 46.24 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.563 0 CA-C-N 119.399 1.0 . . . . 10.0 108.83 175.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.14 -37.62 80.63 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 124.309 1.006 . . . . 10.0 110.672 -173.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -62.88 -32.08 73.26 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.15 1.78 . . . . 10.0 113.618 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.0 mt -88.03 -44.47 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 CA-C-N 119.492 1.042 . . . . 10.0 109.401 173.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 mt -40.54 -60.3 1.15 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 127.515 2.326 . . . . 10.0 112.709 174.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -10.17 26.2 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.681 1.363 . . . . 10.0 114.681 -170.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 54.4 p -80.91 -19.45 44.28 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.212 1.405 . . . . 10.0 114.546 177.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -114.96 104.02 54.33 Favored Pre-proline 0 N--CA 1.468 0.473 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 169.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -58.35 -42.82 51.96 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 122.259 1.972 . . . . 10.0 112.509 -174.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -71.02 -42.05 70.06 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 117.698 -1.144 . . . . 10.0 111.867 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.38 -43.26 99.17 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.252 0.933 . . . . 10.0 109.387 170.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 6.0 ttt -60.58 -46.8 88.86 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.867 1.212 . . . . 10.0 112.555 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.01 99.47 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.809 -0.557 . . . . 10.0 112.054 172.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.56 -35.48 81.1 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.397 0.679 . . . . 10.0 112.764 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -60.05 -60.79 3.26 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 125.044 1.337 . . . . 10.0 108.844 170.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 82.0 mt -47.07 -55.04 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.491 1.116 . . . . 10.0 110.698 177.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -53.68 45.66 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 114.327 1.232 . . . . 10.0 114.327 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -32.48 73.38 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 119.951 1.25 . . . . 10.0 110.272 -177.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -64.3 -48.24 76.43 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 120.645 1.566 . . . . 10.0 111.104 171.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 75.1 p -60.5 -42.52 96.51 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.681 1.128 . . . . 10.0 111.289 175.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.14 -51.95 66.12 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.768 1.227 . . . . 10.0 112.027 171.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -46.36 -50.46 16.41 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.742 2.017 . . . . 10.0 110.84 170.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -62.59 -65.1 0.74 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.083 -0.96 . . . . 10.0 111.146 174.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 20.1 m -58.2 -27.63 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 120.836 1.653 . . . . 10.0 114.232 -170.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.13 -49.91 6.3 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.525 1.676 . . . . 10.0 115.525 173.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -103.33 -24.02 13.53 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 114.31 1.226 . . . . 10.0 114.31 -169.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -143.71 74.27 16.73 Favored Pre-proline 0 N--CA 1.472 0.64 0 C-N-CA 124.788 1.235 . . . . 10.0 110.862 172.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -68.29 -5.96 16.23 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 121.998 1.799 . . . . 10.0 114.943 -170.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.97 -30.75 5.57 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 124.791 1.186 . . . . 10.0 112.484 174.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -13.87 59.79 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.556 1.178 . . . . 10.0 111.038 169.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.255 1.345 1 C-N-CA 133.26 4.624 . . . . 10.0 106.682 179.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -153.49 16.56 0.66 Allowed Glycine 0 C--N 1.341 0.827 0 CA-C-O 118.471 -1.183 . . . . 10.0 113.413 170.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 64.92 -42.86 0.32 Allowed 'General case' 0 C--N 1.352 0.69 0 C-N-CA 127.514 2.326 . . . . 10.0 113.709 -171.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.4 t -68.9 -15.01 63.38 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.303 1.223 . . . . 10.0 114.303 173.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -87.89 -39.23 14.96 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.606 1.162 . . . . 10.0 111.837 172.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -47.6 -47.67 28.67 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 126.669 1.988 . . . . 10.0 111.541 -173.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -40.44 96.16 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.731 1.151 . . . . 10.0 112.837 -178.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.53 -40.89 76.62 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.5 0.72 . . . . 10.0 112.093 174.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.3 mt -60.48 -51.08 71.0 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.153 0.433 . . . . 10.0 110.774 173.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.3 tp -54.61 -43.36 72.13 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 128.711 2.804 . . . . 10.0 110.448 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -60.26 -53.49 57.09 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.058 0.943 . . . . 10.0 113.102 172.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -64.29 -34.11 77.37 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.826 1.194 . . . . 10.0 111.996 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.49 -53.58 45.9 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 118.114 -0.946 . . . . 10.0 110.882 175.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -68.17 -23.83 64.9 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 120.286 1.403 . . . . 10.0 112.3 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.6 m -64.61 -57.05 10.16 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 118.329 -0.843 . . . . 10.0 109.781 169.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tp -47.54 -53.93 13.08 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.797 0.726 . . . . 10.0 110.8 172.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tp -70.17 0.13 6.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 126.099 1.759 . . . . 10.0 115.196 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.2 p -143.33 9.2 1.63 Allowed 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 115.306 1.595 . . . . 10.0 115.306 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -41.38 -11.4 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.072 1 C-N-CA 133.739 4.816 . . . . 10.0 119.719 -170.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.7 p 117.29 -29.61 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.31 1 C-N-CA 133.058 4.543 . . . . 10.0 113.441 -178.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.459 ' C ' ' H ' ' A' ' 23' ' ' THR . 0.6 OUTLIER -54.79 -49.86 69.91 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 120.623 1.556 . . . . 10.0 113.462 -170.455 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 55.57 -19.26 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 128.479 2.712 . . . . 10.0 116.756 -174.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.459 ' H ' ' C ' ' A' ' 21' ' ' ASP . 70.1 p -39.53 -59.5 1.1 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 129.571 3.148 . . . . 10.0 115.575 -168.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.05 -20.23 16.81 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 123.957 0.789 . . . . 10.0 114.108 174.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mp -59.44 -27.76 66.36 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 117.285 0.542 . . . . 10.0 110.89 172.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -40.68 -59.05 1.47 Allowed 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 127.406 2.283 . . . . 10.0 113.512 172.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -50.81 -48.71 59.6 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.465 1.029 . . . . 10.0 112.441 174.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.1 mm -60.44 -43.7 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 124.975 1.31 . . . . 10.0 110.078 177.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -62.24 -46.05 90.57 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.211 1.404 . . . . 10.0 112.019 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -69.59 -34.82 74.66 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 119.243 0.929 . . . . 10.0 111.279 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.91 -19.94 33.51 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.654 0.983 . . . . 10.0 113.654 169.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.9 mt -108.56 9.04 27.44 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.11 2.164 . . . . 10.0 112.556 171.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 65.97 15.47 62.69 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 125.796 1.665 . . . . 10.0 114.484 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.279 67.6 mt -54.59 -58.62 13.34 Favored Pre-proline 0 CA--C 1.548 0.883 0 CA-C-N 119.882 1.841 . . . . 10.0 113.012 -171.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -55.42 -33.86 87.19 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 122.485 2.124 . . . . 10.0 113.88 174.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 mp0 -70.77 -42.01 70.97 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.982 1.313 . . . . 10.0 111.56 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.57 -33.04 74.98 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.538 1.935 . . . . 10.0 111.849 170.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.7 t -64.9 -52.16 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.754 1.222 . . . . 10.0 110.609 169.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -56.77 -39.49 74.13 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.889 1.222 . . . . 10.0 113.125 175.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -20.47 66.35 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.349 1.459 . . . . 10.0 113.788 171.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.04 -5.89 69.38 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.729 1.633 . . . . 10.0 113.799 -173.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -53.37 -35.53 60.39 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.185 1.794 . . . . 10.0 111.384 177.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.11 -31.45 0.57 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.624 1.97 . . . . 10.0 115.212 170.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.7 mt -76.52 -8.89 58.12 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.33 1.052 . . . . 10.0 113.683 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -67.51 163.23 49.61 Favored Pre-proline 0 CA--C 1.551 1.005 0 CA-C-N 119.362 0.983 . . . . 10.0 111.543 169.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.96 -9.49 26.15 Favored 'Trans proline' 0 CA--C 1.549 1.274 0 C-N-CA 122.905 2.403 . . . . 10.0 111.875 168.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.268 2.043 0 C-N-CA 129.668 3.187 . . . . 10.0 110.232 176.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.435 ' HA ' ' O ' ' B' ' 51' ' ' SER . 23.8 Cg_exo . . . . . 0 CA--C 1.548 1.187 0 N-CA-C 114.752 1.02 . . . . 10.0 114.752 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -149.12 -52.27 0.16 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.803 1.241 . . . . 10.0 112.589 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -76.13 -31.24 58.51 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.168 0.587 . . . . 10.0 111.156 170.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.435 ' O ' ' HA ' ' B' ' 48' ' ' PRO . 6.3 m -128.79 112.43 14.16 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 103.767 -2.679 . . . . 10.0 103.767 169.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.88 -8.8 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 118.531 0.605 . . . . 10.0 111.079 -176.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 88.7 p -92.19 -3.56 0.1 OUTLIER Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 119.776 3.25 . . . . 10.0 119.776 175.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -67.38 -20.3 48.6 Favored 'Trans proline' 0 C--N 1.354 0.86 0 CA-C-N 125.48 2.993 . . . . 10.0 112.731 -174.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 73.3 p -90.14 -36.53 14.77 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 118.902 0.774 . . . . 10.0 112.206 168.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.07 -28.79 69.33 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.52 1.055 . . . . 10.0 111.746 170.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.44 -25.28 65.86 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 128.089 2.555 . . . . 10.0 113.15 169.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -89.7 -60.44 1.94 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 121.988 0.899 . . . . 10.0 109.658 169.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.71 -37.46 19.36 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 118.759 2.874 . . . . 10.0 118.759 -166.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.44 -34.84 31.24 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.693 0.679 . . . . 10.0 109.422 175.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.75 -59.41 5.07 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.494 1.118 . . . . 10.0 110.615 170.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 37.8 ptt85 -59.43 -33.22 70.99 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-N 120.448 1.476 . . . . 10.0 112.139 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 13.7 m -65.05 -22.38 66.97 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.815 1.646 . . . . 10.0 114.781 178.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.42 -12.51 9.85 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.993 1.27 . . . . 10.0 113.67 172.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -65.89 -38.03 87.69 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 106.721 -1.585 . . . . 10.0 106.721 167.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 11.6 p -72.88 136.81 79.8 Favored Pre-proline 0 CA--C 1.551 0.989 0 N-CA-C 104.973 -2.232 . . . . 10.0 104.973 167.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -74.71 152.36 42.24 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 N-CA-C 115.928 1.472 . . . . 10.0 115.928 -168.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 8.9 m -51.85 -2.2 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 129.912 3.285 . . . . 10.0 116.542 -176.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.3 t -71.89 -74.86 0.13 Allowed Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 120.19 1.359 . . . . 10.0 110.539 177.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -67.87 -28.72 35.84 Favored 'Trans proline' 0 C--N 1.352 0.738 0 CA-C-N 121.611 1.611 . . . . 10.0 111.534 169.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -74.48 -0.02 16.17 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.094 1.146 . . . . 10.0 114.094 -177.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -51.03 -35.05 32.29 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.65 1.58 . . . . 10.0 112.47 169.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -69.71 162.68 27.27 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.907 1.283 . . . . 10.0 112.738 -170.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -52.8 -2.55 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 128.637 2.775 . . . . 10.0 115.957 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.53 -24.09 66.39 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 120.67 1.577 . . . . 10.0 112.805 172.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.61 -52.69 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 107.825 -1.176 . . . . 10.0 107.825 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.32 -41.52 84.72 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.873 1.269 . . . . 10.0 110.858 -173.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -60.18 -31.98 70.63 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.262 1.025 . . . . 10.0 113.616 175.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 62.9 mt -89.87 -42.32 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 119.743 1.156 . . . . 10.0 110.394 176.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 mt -40.35 -52.51 2.69 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.808 2.443 . . . . 10.0 112.225 172.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -56.93 -19.91 20.56 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.02 1.118 . . . . 10.0 114.02 -177.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 84.8 p -78.73 -16.84 56.74 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.805 1.409 . . . . 10.0 114.805 -177.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -122.03 102.79 40.32 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 108.141 -1.059 . . . . 10.0 108.141 171.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -59.93 -37.63 84.22 Favored 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 123.443 2.762 . . . . 10.0 112.944 -176.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -64.62 -48.32 75.33 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.307 1.043 . . . . 10.0 110.147 176.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -40.36 95.39 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.424 1.089 . . . . 10.0 110.09 177.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -51.52 69.6 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.074 0.95 . . . . 10.0 112.099 173.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.94 96.52 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 119.19 -0.433 . . . . 10.0 111.704 175.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.61 -36.77 83.84 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 123.652 0.781 . . . . 10.0 112.173 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -62.17 -60.56 3.42 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.778 1.231 . . . . 10.0 108.601 169.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 82.7 mt -48.03 -43.99 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 120.602 1.546 . . . . 10.0 111.966 176.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -67.94 -60.25 2.65 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 113.752 1.019 . . . . 10.0 113.752 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -24.89 66.16 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.937 1.244 . . . . 10.0 111.902 -175.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -71.18 -51.2 26.17 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.135 1.374 . . . . 10.0 112.269 169.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 14.9 p -54.09 -44.43 71.2 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.615 0.643 . . . . 10.0 111.307 172.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.52 -53.28 59.37 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.303 1.841 . . . . 10.0 113.295 173.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -43.34 -52.04 6.05 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.872 1.669 . . . . 10.0 110.612 171.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -63.89 -61.33 2.35 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 117.036 -1.459 . . . . 10.0 111.966 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 32.5 m -55.79 -29.83 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 120.926 1.694 . . . . 10.0 113.765 -174.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.08 -26.18 20.38 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 116.526 2.047 . . . . 10.0 116.526 178.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -133.9 -23.7 1.75 Allowed 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 115.07 1.507 . . . . 10.0 115.07 -171.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -146.83 74.37 12.23 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 125.804 1.641 . . . . 10.0 107.065 175.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -72.27 72.72 2.79 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 124.062 3.175 . . . . 10.0 114.769 -168.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 58.83 17.95 37.48 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 126.35 1.929 . . . . 10.0 116.135 169.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -13.02 2.98 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.581 1.952 . . . . 10.0 115.687 -171.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 . . . . . 0 C--O 1.251 1.182 0 C-N-CA 127.459 2.303 . . . . 10.0 108.619 170.518 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 118.322 -0.847 . . . . 10.0 113.039 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.55 1.71 81.33 Favored Glycine 0 CA--C 1.538 1.488 0 CA-C-N 119.855 1.207 . . . . 10.0 113.309 169.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 63.39 -28.95 0.09 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 130.507 3.523 . . . . 10.0 113.932 -175.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.1 m -63.39 -24.0 67.65 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.59 1.556 . . . . 10.0 110.582 167.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -83.76 -46.8 11.84 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 126.852 2.061 . . . . 10.0 109.463 175.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.429 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 30.7 tp10 -48.69 -54.59 14.2 Favored 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 125.403 1.481 . . . . 10.0 111.005 170.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -46.05 91.93 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.137 0.881 . . . . 10.0 112.445 -174.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.77 -38.09 85.9 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 118.357 -0.83 . . . . 10.0 112.28 175.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 6' ' ' GLU 0.405 0.0 OUTLIER -76.88 -34.85 57.75 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.675 1.125 . . . . 10.0 111.612 -179.731 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.5 tp -54.52 -46.69 73.58 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 128.063 2.545 . . . . 10.0 109.474 169.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -56.44 -56.53 20.08 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 113.87 1.063 . . . . 10.0 113.87 173.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -65.33 -24.72 67.34 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.695 0.998 . . . . 10.0 113.695 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.4 tp -79.74 -41.32 26.91 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.064 0.847 . . . . 10.0 112.075 178.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -70.09 -29.45 66.43 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.271 1.396 . . . . 10.0 111.451 171.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.9 m -60.81 -55.71 29.87 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.226 1.011 . . . . 10.0 110.652 169.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tp -48.32 -51.59 25.38 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 123.991 0.916 . . . . 10.0 110.755 174.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.433 ' HA ' ' CD2' ' B' ' 64' ' ' LEU . 10.7 mt -65.24 -18.42 65.3 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 115.173 1.545 . . . . 10.0 115.173 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 m -126.17 14.88 7.84 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.391 0.996 . . . . 10.0 112.86 -169.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -56.05 -7.84 0.39 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 130.742 3.617 . . . . 10.0 116.576 -169.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.1 p 115.94 -17.92 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.25 1 C-N-CA 134.443 5.097 . . . . 10.0 112.585 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -63.42 153.97 33.6 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-O 123.13 1.443 . . . . 10.0 113.199 171.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.51 1.28 1.04 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.773 2.029 . . . . 10.0 113.12 169.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 m -47.08 -59.94 2.8 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 115.898 1.814 . . . . 10.0 115.898 -168.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.77 -14.26 14.38 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 123.221 0.439 . . . . 10.0 112.374 169.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.0 mt -57.42 -26.67 61.49 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 117.9 -1.048 . . . . 10.0 112.404 169.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -46.79 -37.34 8.45 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 117.954 -1.022 . . . . 10.0 111.874 169.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.1 -53.42 55.71 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 119.539 1.063 . . . . 10.0 112.749 175.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.9 mm -69.26 -29.56 42.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 N-CA-C 108.514 -0.921 . . . . 10.0 108.514 -174.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.59 -53.31 29.2 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.77 1.228 . . . . 10.0 110.997 171.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.6 ptt85 -63.18 -37.19 86.26 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.046 1.293 . . . . 10.0 112.528 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.13 -20.02 37.15 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.835 1.254 . . . . 10.0 113.463 172.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.1 mt -117.94 12.85 13.86 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.783 1.633 . . . . 10.0 111.821 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.99 9.14 52.88 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.579 1.561 . . . . 10.0 115.985 176.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.2 mt -50.84 -45.8 87.06 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-O 117.224 -1.37 . . . . 10.0 113.924 -169.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -58.13 -21.19 49.96 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 122.924 2.416 . . . . 10.0 114.847 175.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -90.62 -32.15 16.37 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.206 0.912 . . . . 10.0 111.806 169.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.6 mt -60.65 -28.14 68.34 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.867 1.212 . . . . 10.0 112.126 170.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.6 t -59.25 -56.61 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 126.431 1.892 . . . . 10.0 109.964 168.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -58.2 -37.16 74.25 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.473 0.709 . . . . 10.0 110.882 174.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . 2.331 26.9 pt20 -53.2 -19.75 3.36 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 130.033 3.333 . . . . 10.0 114.39 169.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.8 11.33 60.27 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 125.868 1.699 . . . . 10.0 114.103 -172.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -62.58 -16.89 58.64 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 115.08 1.511 . . . . 10.0 115.08 -169.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.15 74.72 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 120.992 -1.068 . . . . 10.0 113.278 169.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.84 -23.37 36.47 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.073 1.349 . . . . 10.0 114.241 -170.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -72.3 160.64 82.21 Favored Pre-proline 0 CA--C 1.547 0.848 0 N-CA-C 114.122 1.156 . . . . 10.0 114.122 -174.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.72 -9.76 27.13 Favored 'Trans proline' 0 CA--C 1.543 0.957 0 C-N-CA 123.874 3.049 . . . . 10.0 113.648 175.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.435 ' C ' ' HZ3' ' B' ' 92' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.933 0 C-N-CA 127.258 2.223 . . . . 10.0 107.248 169.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . 0.277 46.6 Cg_exo . . . . . 0 CA--C 1.54 0.802 0 N-CA-C 114.674 0.99 . . . . 10.0 114.674 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . 0.288 0.0 OUTLIER -130.61 -14.09 3.69 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.105 0.779 . . . . 10.0 113.105 169.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 4.6 mtm-85 -92.29 -30.99 15.56 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.496 1.118 . . . . 10.0 108.853 168.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 86.6 p -118.2 110.3 17.41 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 130.033 3.333 . . . . 10.0 106.323 168.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -90.59 -5.07 10.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 124.35 1.06 . . . . 10.0 112.366 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 71.9 p -116.54 12.18 0.07 OUTLIER Pre-proline 0 N--CA 1.478 0.934 0 N-CA-C 118.25 2.685 . . . . 10.0 118.25 176.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -65.31 -19.91 61.93 Favored 'Trans proline' 0 CA--C 1.548 1.18 0 CA-C-N 125.47 2.989 . . . . 10.0 112.777 175.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.5 p -80.1 -55.03 5.23 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 127.004 2.122 . . . . 10.0 110.91 169.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.81 -26.09 61.49 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.544 1.538 . . . . 10.0 113.616 173.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.06 -30.49 66.22 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 127.657 2.383 . . . . 10.0 112.093 169.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -90.67 -60.11 2.0 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.409 0.684 . . . . 10.0 109.251 169.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . 0.41 ' CG ' HH21 ' B' ' 62' ' ' ARG . 0.9 OUTLIER -80.09 -40.72 26.98 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 117.194 2.294 . . . . 10.0 117.194 -168.476 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 tt -74.95 -38.74 61.65 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.0 -1.111 . . . . 10.0 108.0 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 27.9 tp -53.74 -53.92 45.39 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 124.526 1.131 . . . . 10.0 109.959 169.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.41 HH21 ' CG ' ' B' ' 59' ' ' ASP . 16.3 ttp85 -52.57 -48.67 66.05 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.993 1.717 . . . . 10.0 112.126 171.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.98 -20.95 57.46 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 127.395 2.278 . . . . 10.0 115.41 -178.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -117.14 -20.34 9.31 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.686 1.365 . . . . 10.0 114.686 171.392 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -58.4 -39.1 78.78 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 107.337 -1.357 . . . . 10.0 107.337 167.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 6.3 p -73.63 108.76 5.25 Favored Pre-proline 0 CA--C 1.55 0.966 0 N-CA-C 102.491 -3.152 . . . . 10.0 102.491 166.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.86 148.06 69.3 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 122.43 2.087 . . . . 10.0 117.266 -167.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 10.3 p -55.81 -26.33 45.85 Favored 'General case' 0 C--O 1.219 -0.543 0 C-N-CA 125.039 1.336 . . . . 10.0 113.724 -173.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 40.5 t -49.7 -67.88 0.4 Allowed Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.058 1.343 . . . . 10.0 112.703 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.99 -23.18 25.49 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 CA-C-N 121.714 1.648 . . . . 10.0 112.869 169.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -90.17 15.04 11.01 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.937 1.829 . . . . 10.0 115.937 -171.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -46.56 -27.29 1.08 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 128.739 2.815 . . . . 10.0 115.643 175.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -64.27 165.31 9.68 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 122.961 1.362 . . . . 10.0 112.942 -175.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -55.54 -1.65 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.292 2.237 . . . . 10.0 115.193 173.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -55.26 -31.82 61.85 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 120.059 1.299 . . . . 10.0 114.193 172.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.53 -51.11 49.95 Favored 'Isoleucine or valine' 0 C--N 1.348 0.5 0 N-CA-C 107.8 -1.185 . . . . 10.0 107.8 173.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.06 -37.97 81.44 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.995 0.918 . . . . 10.0 110.504 -173.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -64.07 -28.38 69.74 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 124.896 1.278 . . . . 10.0 114.05 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.3 mt -90.5 -43.33 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 119.986 1.266 . . . . 10.0 110.056 172.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 6.0 mt -40.29 -56.74 1.9 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.924 2.49 . . . . 10.0 112.674 173.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -13.22 21.78 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.491 1.293 . . . . 10.0 114.491 -172.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 83.3 p -76.78 -21.52 55.05 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.205 1.187 . . . . 10.0 114.205 175.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -117.2 100.87 53.26 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 119.61 1.095 . . . . 10.0 109.816 173.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -57.61 -40.61 78.8 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.491 2.794 . . . . 10.0 113.291 -175.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -74.04 -38.38 64.01 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 118.116 -0.945 . . . . 10.0 112.335 -178.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.05 -36.96 86.0 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 124.293 1.037 . . . . 10.0 109.473 170.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -51.51 69.22 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 119.722 1.146 . . . . 10.0 112.703 172.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.51 97.7 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.624 0.647 . . . . 10.0 112.26 175.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.71 87.79 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 118.224 -0.893 . . . . 10.0 112.688 175.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -57.29 -60.96 2.84 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 125.239 1.416 . . . . 10.0 108.418 169.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 91.8 mt -51.15 -51.12 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 118.733 0.697 . . . . 10.0 110.952 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.435 ' HZ3' ' C ' ' A' ' 47' ' ' LYS . 33.8 tptt -61.0 -60.1 4.32 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 124.142 0.977 . . . . 10.0 112.4 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -32.45 72.99 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 117.163 -1.399 . . . . 10.0 110.383 -174.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -60.82 -48.08 83.41 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 121.864 2.12 . . . . 10.0 110.471 169.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 3.1 m -58.31 -45.8 87.33 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.248 0.476 . . . . 10.0 111.591 176.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.82 92.15 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.763 1.225 . . . . 10.0 112.716 173.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -47.67 65.65 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 125.189 1.396 . . . . 10.0 110.11 173.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -58.14 -60.43 3.76 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 118.613 0.642 . . . . 10.0 111.62 176.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 32.8 m -63.22 -20.04 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 119.671 1.123 . . . . 10.0 113.647 -175.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.25 -7.94 52.22 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 115.864 1.802 . . . . 10.0 115.864 172.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -139.61 -28.62 0.76 Allowed 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -169.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -137.47 72.9 50.18 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 128.966 2.907 . . . . 10.0 108.315 169.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -68.18 1.34 3.55 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 124.024 3.149 . . . . 10.0 115.216 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.83 -45.95 1.95 Allowed Glycine 0 N--CA 1.471 1.006 0 O-C-N 120.331 -1.48 . . . . 10.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 27.9 ptm -71.78 -11.66 60.92 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.409 0.684 . . . . 10.0 111.768 168.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.256 1.421 0 C-N-CA 131.279 3.831 . . . . 10.0 107.693 171.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 118.845 -0.598 . . . . 10.0 112.377 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.7 52.36 1.22 Allowed Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.923 1.249 . . . . 10.0 114.385 176.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 45.18 -15.8 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.011 1 C-N-CA 134.519 5.127 . . . . 10.0 119.68 178.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.5 m -60.12 -39.04 84.85 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 128.798 2.839 . . . . 10.0 109.993 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -84.15 -36.11 23.11 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 126.222 1.809 . . . . 10.0 112.593 169.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.406 ' CD ' HH21 ' B' ' 50' ' ' ARG . 43.0 tt0 -52.32 -54.67 28.67 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 119.448 1.022 . . . . 10.0 111.82 -175.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -67.05 -48.0 69.61 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 118.913 -1.115 . . . . 10.0 110.349 -170.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.76 95.76 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 118.459 -0.782 . . . . 10.0 112.767 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . 0.35 0.0 OUTLIER -77.08 -32.6 56.8 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.803 1.183 . . . . 10.0 110.696 -179.482 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 tp -61.55 -47.73 84.21 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 119.602 1.092 . . . . 10.0 111.04 169.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.417 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 42.5 m-20 -57.68 -52.34 65.82 Favored 'General case' 0 C--O 1.241 0.605 0 N-CA-C 112.894 0.701 . . . . 10.0 112.894 173.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -29.17 68.21 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 118.947 0.794 . . . . 10.0 113.073 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -74.29 -46.35 41.82 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 117.041 -1.457 . . . . 10.0 110.956 174.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.417 ' CD2' ' HA ' ' A' ' 11' ' ' ASP . 3.4 p80 -67.43 -28.51 67.95 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 121.459 1.936 . . . . 10.0 111.376 178.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.8 m -60.38 -57.54 12.34 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.953 0.901 . . . . 10.0 109.642 169.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 tp -50.27 -55.28 16.05 Favored 'General case' 0 C--O 1.23 0.062 0 CA-C-N 118.636 0.653 . . . . 10.0 111.533 173.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.418 ' HG ' ' CD1' ' B' ' 90' ' ' PHE . 4.5 tp -67.78 -10.53 53.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.261 1.424 . . . . 10.0 112.807 -172.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.6 p -133.65 6.58 3.76 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 116.086 1.884 . . . . 10.0 116.086 -177.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.7 p30 -39.73 0.92 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.071 1 C-N-CA 135.655 5.582 . . . . 10.0 121.221 -168.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.0 p 116.7 -25.7 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.295 1 C-N-CA 132.668 4.387 . . . . 10.0 112.367 176.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.47 161.13 12.33 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 123.623 1.678 . . . . 10.0 112.995 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.24 -9.58 1.13 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 127.08 2.152 . . . . 10.0 112.749 169.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.8 m -51.21 -43.47 61.42 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 126.158 1.783 . . . . 10.0 115.336 -169.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.93 -18.67 3.83 Favored Glycine 0 CA--C 1.536 1.348 0 CA-C-O 119.252 -0.749 . . . . 10.0 113.189 169.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.43 -27.04 67.18 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.276 1.038 . . . . 10.0 112.761 169.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -40.6 -54.34 2.56 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.164 1.786 . . . . 10.0 113.711 170.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -62.66 -42.31 99.54 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 126.173 1.789 . . . . 10.0 112.648 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.5 mm -63.99 -41.36 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 118.101 0.409 . . . . 10.0 110.928 170.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -64.43 -48.8 73.98 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.094 0.958 . . . . 10.0 110.918 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.4 ptt85 -66.0 -34.6 78.47 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 117.952 -1.023 . . . . 10.0 112.928 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.57 -19.94 42.54 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.532 1.06 . . . . 10.0 112.942 170.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.8 mt -117.15 14.2 14.85 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.247 1.819 . . . . 10.0 112.049 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.38 13.43 43.81 Favored Glycine 0 CA--C 1.535 1.321 0 N-CA-C 115.858 1.103 . . . . 10.0 115.858 177.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.7 mt -58.53 -41.13 87.46 Favored Pre-proline 0 N--CA 1.475 0.785 0 CA-C-N 119.258 1.529 . . . . 10.0 113.536 -169.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -58.83 -26.94 82.46 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.524 2.149 . . . . 10.0 114.77 169.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -44.18 34.14 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.013 -1.054 . . . . 10.0 110.622 169.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.416 ' HB3' ' HE2' ' A' ' 47' ' ' LYS . 83.1 mt -51.32 -33.65 30.09 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.721 0.691 . . . . 10.0 112.151 170.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.92 -60.55 2.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 123.515 0.726 . . . . 10.0 110.474 169.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -54.03 -42.58 69.3 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.716 1.606 . . . . 10.0 114.527 -175.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -65.0 -20.31 66.44 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 115.245 1.572 . . . . 10.0 115.245 -176.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.83 -93.1 0.09 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 109.747 -1.341 . . . . 10.0 109.747 175.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -162.63 -128.26 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.321 1.849 . . . . 10.0 108.235 168.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.85 25.19 2.81 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.243 -0.911 . . . . 10.0 113.087 174.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.8 mt -84.66 -23.53 29.42 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.044 0.938 . . . . 10.0 111.072 172.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -60.86 169.93 1.72 Allowed Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 128.432 2.693 . . . . 10.0 112.268 169.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -71.72 12.85 0.51 Allowed 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 123.404 2.736 . . . . 10.0 115.239 172.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.416 ' HE2' ' HB3' ' A' ' 37' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.394 0 C-N-CA 129.489 3.116 . . . . 10.0 111.179 -174.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo . . . . . 0 N--CA 1.482 0.83 0 N-CA-C 108.114 -1.533 . . . . 10.0 108.114 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -130.8 -31.68 1.72 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.89 0.876 . . . . 10.0 112.152 -167.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.406 HH21 ' CD ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -105.04 -53.33 2.68 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 105.997 -1.853 . . . . 10.0 105.997 168.178 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 59.6 m -81.18 91.36 6.15 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 104.581 -2.378 . . . . 10.0 104.581 167.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.88 8.16 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 O-C-N 121.259 -0.9 . . . . 10.0 112.143 -173.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 11.7 p -131.28 5.8 0.04 OUTLIER Pre-proline 0 CA--C 1.554 1.118 0 N-CA-C 117.805 2.52 . . . . 10.0 117.805 -175.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -65.19 -18.02 60.1 Favored 'Trans proline' 0 C--N 1.355 0.904 0 CA-C-N 125.405 2.966 . . . . 10.0 113.07 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 15.7 p -77.46 -49.32 15.05 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 126.071 1.748 . . . . 10.0 111.169 169.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.05 -30.29 67.93 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.997 1.319 . . . . 10.0 112.369 171.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 29.6 tp -57.31 -22.77 44.25 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.83 1.252 . . . . 10.0 111.883 169.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -91.42 -60.02 1.99 Allowed 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.012 0.823 . . . . 10.0 109.314 169.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.02 -39.22 19.9 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 117.794 2.516 . . . . 10.0 117.794 -168.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 tp -76.72 -33.43 58.18 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.583 -0.698 . . . . 10.0 110.258 175.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 tp -57.89 -59.91 4.52 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 117.369 -1.3 . . . . 10.0 110.807 171.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 50.2 ptt85 -55.81 -35.34 66.22 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 120.899 1.681 . . . . 10.0 112.506 176.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 8.8 m -66.19 -25.16 66.8 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.951 2.1 . . . . 10.0 113.89 -176.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.43 -21.26 10.96 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.042 1.337 . . . . 10.0 112.191 175.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.21 -29.79 70.63 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.878 -1.058 . . . . 10.0 110.724 168.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 6.9 p -84.27 110.96 30.17 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 102.585 -3.117 . . . . 10.0 102.585 166.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -65.79 170.74 10.88 Favored 'Trans proline' 0 C--N 1.35 0.611 0 N-CA-C 115.668 1.372 . . . . 10.0 115.668 -169.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 3.0 m -50.71 -18.68 0.76 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 128.293 2.637 . . . . 10.0 115.371 -170.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 56.4 p -49.03 114.46 3.82 Favored Pre-proline 0 CA--C 1.529 0.143 0 C-N-CA 127.034 2.134 . . . . 10.0 108.431 168.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . 0.343 1.7 Cg_exo 42.13 -10.26 0.0 OUTLIER 'Trans proline' 0 CA--C 1.544 1.023 1 C-N-CA 125.754 4.303 . . . . 10.0 121.037 -167.896 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -72.53 -10.38 59.73 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.063 1.745 . . . . 10.0 112.277 169.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -43.92 -12.64 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 130.67 3.588 . . . . 10.0 118.902 175.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.89 -174.49 2.59 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.539 1.311 . . . . 10.0 114.539 -169.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -48.31 -14.8 0.06 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 128.513 2.725 . . . . 10.0 116.948 -169.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -24.63 65.57 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 123.313 2.779 . . . . 10.0 113.324 169.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -70.61 -54.6 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 120.468 1.485 . . . . 10.0 107.729 169.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -35.96 74.65 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.283 1.433 . . . . 10.0 112.232 -172.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -65.14 -33.29 75.67 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 125.431 1.492 . . . . 10.0 112.81 176.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 29.7 mt -86.38 -45.6 16.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 119.735 1.152 . . . . 10.0 109.232 175.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.5 mt -39.37 -53.88 1.94 Allowed 'General case' 0 C--N 1.355 0.805 0 C-N-CA 127.933 2.493 . . . . 10.0 112.37 175.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -59.19 -19.89 49.18 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.747 1.388 . . . . 10.0 114.747 -176.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 63.3 p -78.04 -9.23 59.03 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 113.923 1.083 . . . . 10.0 113.923 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -129.87 75.22 79.86 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 119.048 0.84 . . . . 10.0 110.514 -171.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -41.41 -56.59 1.74 Allowed 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 125.179 3.92 . . . . 10.0 115.731 -169.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -61.6 -42.48 98.93 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.43 0.9 . . . . 10.0 113.43 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.0 -41.47 98.1 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.37 1.068 . . . . 10.0 110.88 173.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -53.74 54.88 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.353 0.661 . . . . 10.0 111.108 175.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.7 95.08 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.043 0.386 . . . . 10.0 112.043 175.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.26 98.56 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 118.499 -0.762 . . . . 10.0 112.867 175.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . 0.418 ' CD1' ' HG ' ' A' ' 17' ' ' LEU . 68.3 t80 -56.95 -58.83 6.44 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 117.182 -1.389 . . . . 10.0 108.736 169.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 77.9 mt -48.85 -58.55 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 119.702 1.137 . . . . 10.0 110.282 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.436 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.0 OUTLIER -54.77 -57.25 12.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.649 1.179 . . . . 10.0 112.146 -179.131 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -36.58 81.65 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 118.183 -0.913 . . . . 10.0 111.503 -176.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -55.28 -50.0 70.67 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 120.656 1.571 . . . . 10.0 110.592 169.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -57.98 -44.19 86.96 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.149 0.886 . . . . 10.0 111.67 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.89 -44.71 95.35 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.188 0.995 . . . . 10.0 112.538 176.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -44.66 73.56 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.396 1.478 . . . . 10.0 110.515 172.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -59.11 -59.24 5.79 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-O 118.275 -0.869 . . . . 10.0 111.826 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 21.2 m -63.67 -21.49 28.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-N 119.466 1.03 . . . . 10.0 113.472 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.37 -30.47 23.61 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.955 1.465 . . . . 10.0 114.955 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -128.96 -21.39 3.34 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.756 1.391 . . . . 10.0 114.756 -170.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -143.48 57.68 5.67 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 125.404 1.482 . . . . 10.0 111.475 174.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -72.53 -47.32 0.39 Allowed 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.683 2.255 . . . . 10.0 112.697 -173.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 74.33 -56.56 2.4 Favored Glycine 0 CA--C 1.533 1.169 0 CA-C-O 119.042 -0.866 . . . . 10.0 112.543 -169.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -142.92 -15.7 0.7 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 117.003 2.223 . . . . 10.0 117.003 -177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.054 0 C-N-CA 124.855 1.262 . . . . 10.0 113.268 -171.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 112.803 0.668 . . . . 10.0 112.803 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -152.44 -4.96 0.14 Allowed Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.165 1.364 . . . . 10.0 113.559 169.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 66.46 -34.99 0.22 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 130.385 3.474 . . . . 10.0 111.954 -169.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.3 m -64.82 -18.18 64.9 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.005 1.722 . . . . 10.0 111.058 167.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -85.2 -55.63 3.94 Favored 'General case' 0 C--O 1.217 -0.622 0 C-N-CA 125.182 1.393 . . . . 10.0 108.11 168.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -56.59 -50.92 70.55 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.611 0.764 . . . . 10.0 112.418 -172.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.71 -42.73 67.0 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 119.449 -0.9 . . . . 10.0 111.5 -172.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.56 95.06 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 118.694 -0.67 . . . . 10.0 112.167 175.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . 0.381 0.0 OUTLIER -72.62 -39.58 67.15 Favored 'General case' 0 C--N 1.348 0.523 0 CA-C-O 118.113 -0.946 . . . . 10.0 110.755 179.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.0 tp -54.81 -48.76 72.36 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.889 1.676 . . . . 10.0 110.575 171.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.411 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 42.3 m-20 -58.21 -55.1 39.37 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 113.439 0.903 . . . . 10.0 113.439 175.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -64.53 -29.37 70.4 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-N 119.468 1.031 . . . . 10.0 113.286 177.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.8 tp -75.96 -41.31 51.81 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 117.931 -1.033 . . . . 10.0 111.403 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.411 ' CD2' ' HA ' ' A' ' 11' ' ' ASP . 5.7 p80 -69.92 -32.57 70.92 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 120.418 1.463 . . . . 10.0 111.542 174.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.8 m -66.54 -31.12 71.63 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 118.482 -0.77 . . . . 10.0 112.403 172.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tp -70.35 -59.77 2.67 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 120.472 1.487 . . . . 10.0 109.923 168.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.1 tp -65.47 -8.22 18.17 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.564 1.546 . . . . 10.0 113.256 -169.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.9 t -143.25 30.33 1.41 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.418 1.487 . . . . 10.0 112.89 169.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -40.88 -51.38 3.18 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.449 1.5 . . . . 10.0 112.316 176.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.1 p -154.47 -82.07 0.08 Allowed 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 128.955 2.902 . . . . 10.0 106.799 169.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -151.88 179.85 8.09 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.097 1.359 . . . . 10.0 110.82 177.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.75 163.45 29.58 Favored 'General case' 0 N--CA 1.435 -1.22 0 C-N-CA 127.09 2.156 . . . . 10.0 109.323 168.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 p -59.25 -34.38 72.15 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 130.248 3.419 . . . . 10.0 112.56 174.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.97 -49.32 5.09 Favored Glycine 0 C--N 1.336 0.581 0 N-CA-C 111.425 -0.67 . . . . 10.0 111.425 170.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.9 mt -35.38 -52.9 0.64 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 125.829 1.651 . . . . 10.0 114.6 170.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -57.08 -40.8 77.63 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 121.371 1.896 . . . . 10.0 113.756 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -67.86 -49.22 63.33 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 119.179 0.899 . . . . 10.0 111.303 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.1 mm -57.73 -35.17 49.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 122.785 0.434 . . . . 10.0 111.21 177.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -66.23 -53.6 35.09 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.759 1.224 . . . . 10.0 110.541 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.5 ptt85 -64.84 -32.86 74.76 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.054 -1.029 . . . . 10.0 113.273 176.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.18 -20.13 63.83 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.546 1.138 . . . . 10.0 113.249 170.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.0 mt -110.68 14.91 22.25 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.107 1.763 . . . . 10.0 111.792 172.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.86 12.22 47.22 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 125.306 1.432 . . . . 10.0 115.177 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.0 mt -55.56 -45.74 99.83 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 118.776 1.288 . . . . 10.0 113.368 -169.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -56.72 -19.72 31.96 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.174 2.583 . . . . 10.0 115.201 171.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.9 -41.14 13.4 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 119.23 0.923 . . . . 10.0 110.979 169.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.5 mt -54.41 -28.72 45.69 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 170.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.7 t -57.38 -57.2 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 126.348 1.859 . . . . 10.0 109.823 169.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -61.02 -41.42 96.5 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.832 0.853 . . . . 10.0 111.295 178.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -65.17 -19.8 66.15 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.365 1.066 . . . . 10.0 113.413 174.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.44 17.05 54.09 Favored Glycine 0 CA--C 1.527 0.823 0 CA-C-O 118.209 -1.328 . . . . 10.0 115.374 175.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.67 -4.71 1.01 Allowed 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 119.26 1.53 . . . . 10.0 113.949 -171.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.83 -16.84 60.02 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 119.115 -2.24 . . . . 10.0 113.82 169.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.2 mt -88.63 -30.64 19.05 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 117.465 2.394 . . . . 10.0 117.465 -168.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -79.89 170.38 16.1 Favored Pre-proline 0 N--CA 1.475 0.819 0 CA-C-N 120.342 1.428 . . . . 10.0 112.623 -169.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -66.28 -5.08 11.73 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 123.822 3.015 . . . . 10.0 116.105 169.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.45 0 C-N-CA 126.538 1.935 . . . . 10.0 110.857 176.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo . . . . . 0 N--CA 1.487 1.14 0 CA-C-O 121.566 0.569 . . . . 10.0 111.191 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -136.08 -58.77 0.75 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 126.593 1.957 . . . . 10.0 109.66 -167.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.61 -42.26 18.46 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 106.885 -1.524 . . . . 10.0 106.885 167.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.4 m -82.05 100.06 9.52 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 103.803 -2.666 . . . . 10.0 103.803 168.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . 0.525 ' H ' HD11 ' B' ' 52' ' ' ILE . 0.0 OUTLIER -89.79 -1.45 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.27 1.428 . . . . 10.0 113.715 -169.41 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 8.9 p -124.82 4.94 0.05 OUTLIER Pre-proline 0 CA--C 1.551 0.999 0 N-CA-C 118.441 2.756 . . . . 10.0 118.441 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -66.22 -14.51 44.61 Favored 'Trans proline' 0 CA--C 1.548 1.207 0 CA-C-N 125.596 3.034 . . . . 10.0 114.309 178.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 13.3 p -80.6 -53.07 6.88 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.957 1.703 . . . . 10.0 109.686 169.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.3 -26.6 66.64 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 124.316 1.046 . . . . 10.0 112.405 173.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 25.2 tp -55.17 -29.59 58.15 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 126.317 1.847 . . . . 10.0 110.928 169.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -89.64 -58.97 2.34 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.157 0.983 . . . . 10.0 109.462 170.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -82.23 -40.06 22.18 Favored 'General case' 0 C--N 1.344 0.357 0 N-CA-C 117.811 2.523 . . . . 10.0 117.811 -168.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 tp -74.95 -29.55 60.96 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 120.475 1.489 . . . . 10.0 110.262 175.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 15.0 tp -63.66 -59.47 4.55 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 118.164 -0.922 . . . . 10.0 110.028 169.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.81 -32.8 67.93 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 120.261 1.391 . . . . 10.0 112.129 175.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 5.8 m -60.75 -23.3 64.84 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.089 1.756 . . . . 10.0 115.652 178.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.17 -23.89 8.77 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 114.175 1.176 . . . . 10.0 114.175 170.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -64.52 -37.74 88.59 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.838 0.744 . . . . 10.0 111.031 168.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 58.1 p -77.87 108.42 7.33 Favored Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 103.498 -2.778 . . . . 10.0 103.498 168.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.45 143.76 53.74 Favored 'Trans proline' 0 CA--C 1.511 -0.634 0 C-N-CA 122.351 2.034 . . . . 10.0 116.399 -168.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 4.9 m -67.36 39.77 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 129.066 2.946 . . . . 10.0 114.792 -173.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -87.06 -76.69 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.708 0 C-N-CA 126.418 1.887 . . . . 10.0 108.766 169.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.46 -30.83 6.14 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 CA-C-N 122.952 2.09 . . . . 10.0 109.66 168.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -65.87 1.43 1.38 Allowed 'General case' 0 C--N 1.349 0.581 0 C-N-CA 125.657 1.583 . . . . 10.0 114.612 170.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -56.84 -36.27 69.8 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.188 1.181 . . . . 10.0 114.188 -177.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -78.37 -177.89 5.46 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 123.251 1.5 . . . . 10.0 114.157 -168.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -54.78 -0.86 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 128.954 2.901 . . . . 10.0 114.955 -174.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -58.03 -27.86 63.94 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 120.5 1.5 . . . . 10.0 112.17 169.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.97 -54.68 20.71 Favored 'Isoleucine or valine' 0 C--N 1.347 0.457 0 N-CA-C 107.973 -1.121 . . . . 10.0 107.973 170.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -37.05 76.86 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.58 1.152 . . . . 10.0 112.854 -175.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -63.71 -32.59 74.12 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.481 1.913 . . . . 10.0 113.768 175.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 13.5 mt -90.03 -41.92 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 119.537 1.062 . . . . 10.0 109.342 174.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.2 mt -39.81 -58.38 1.37 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.378 2.271 . . . . 10.0 112.034 173.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -11.13 46.11 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.87 1.433 . . . . 10.0 114.87 -173.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 52.4 p -78.85 -9.95 59.64 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 124.601 1.16 . . . . 10.0 113.617 173.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -125.39 85.34 58.64 Favored Pre-proline 0 CA--C 1.535 0.397 0 C-N-CA 123.812 0.845 . . . . 10.0 108.751 -172.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -50.07 -52.12 9.56 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 123.581 2.854 . . . . 10.0 114.631 -169.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -45.95 85.37 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.035 0.934 . . . . 10.0 112.421 178.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.56 -34.46 75.86 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.822 0.849 . . . . 10.0 111.607 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 4.6 ttt -63.51 -46.65 85.12 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.51 1.05 . . . . 10.0 110.601 172.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.83 -43.87 94.93 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.401 -0.812 . . . . 10.0 112.098 174.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.25 -36.37 83.44 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.307 0.643 . . . . 10.0 112.363 176.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . 0.404 ' CE1' ' HD3' ' B' ' 94' ' ' ARG . 68.1 t80 -59.32 -60.56 3.67 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 124.737 1.215 . . . . 10.0 108.444 169.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 91.8 mt -51.6 -47.12 37.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 118.837 0.744 . . . . 10.0 110.566 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -61.4 -60.25 4.01 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.097 0.959 . . . . 10.0 113.094 177.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -66.02 -39.98 90.67 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 117.57 -1.205 . . . . 10.0 110.143 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . 0.404 ' HD3' ' CE1' ' B' ' 90' ' ' PHE . 12.0 mmm180 -51.04 -49.31 60.79 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 120.647 1.567 . . . . 10.0 111.105 172.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.8 m -63.13 -44.68 94.9 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 118.575 -0.726 . . . . 10.0 111.773 175.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.72 87.72 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.299 1.439 . . . . 10.0 113.099 176.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 14.9 tptp -50.49 -57.45 8.05 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.625 1.97 . . . . 10.0 107.486 169.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -57.74 -57.5 12.46 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 117.344 -1.312 . . . . 10.0 113.348 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 31.3 m -58.59 -20.94 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 CA-C-N 121.013 1.733 . . . . 10.0 113.787 -170.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.3 -6.9 54.59 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.82 1.415 . . . . 10.0 114.82 176.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.83 -30.58 2.74 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 120.002 1.274 . . . . 10.0 113.203 177.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -134.89 82.59 43.06 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 129.475 3.11 . . . . 10.0 107.69 168.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -54.06 -16.08 8.69 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 124.117 3.212 . . . . 10.0 116.555 177.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 128.06 -59.92 0.67 Allowed Glycine 0 C--N 1.342 0.902 0 C-N-CA 125.565 1.555 . . . . 10.0 111.487 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -8.15 54.58 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.39 1.076 . . . . 10.0 112.675 169.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.258 1.506 0 C-N-CA 130.33 3.452 . . . . 10.0 107.044 170.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.51 ' HA ' ' HB2' ' B' ' 51' ' ' SER . 3.4 tp10 . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 112.948 0.721 . . . . 10.0 112.948 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -110.59 11.53 30.4 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 125.279 1.419 . . . . 10.0 112.589 168.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 62.78 -31.1 0.09 Allowed 'General case' 0 C--N 1.352 0.709 0 C-N-CA 130.042 3.337 . . . . 10.0 115.128 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.9 m -67.25 -22.2 65.69 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.067 1.347 . . . . 10.0 112.038 169.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -95.74 -18.79 20.17 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.742 1.617 . . . . 10.0 112.49 174.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -54.86 42.39 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 119.205 0.911 . . . . 10.0 112.485 -177.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -64.26 -39.54 94.14 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 120.26 -0.576 . . . . 10.0 111.92 -177.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.14 85.88 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.666 1.187 . . . . 10.0 112.424 174.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . 0.37 0.0 OUTLIER -73.04 -33.28 65.6 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.631 1.105 . . . . 10.0 111.088 -178.187 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.8 tp -61.87 -47.2 86.08 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.072 1.349 . . . . 10.0 111.052 168.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -57.53 -53.37 58.93 Favored 'General case' 0 C--N 1.345 0.379 0 N-CA-C 112.791 0.663 . . . . 10.0 112.791 176.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -62.32 -32.9 73.73 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 118.717 -0.658 . . . . 10.0 112.584 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tp -75.13 -43.16 54.2 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.775 0.716 . . . . 10.0 111.727 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -71.97 -28.59 63.53 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 119.965 1.257 . . . . 10.0 111.735 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.2 m -63.62 -51.4 65.38 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.885 0.874 . . . . 10.0 109.982 169.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tp -51.91 -48.62 64.1 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.339 -0.839 . . . . 10.0 111.914 174.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.31 -24.47 67.66 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.362 1.245 . . . . 10.0 114.362 176.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -117.17 12.9 14.58 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.502 1.297 . . . . 10.0 114.502 -167.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -53.17 -6.81 0.07 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 131.364 3.866 . . . . 10.0 117.17 -170.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.254 46.4 p 116.28 -17.74 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.633 1 C-N-CA 134.114 4.965 . . . . 10.0 112.766 -178.912 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -63.38 154.74 31.0 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 120.987 1.721 . . . . 10.0 112.99 173.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.49 -2.56 0.86 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 127.679 2.392 . . . . 10.0 112.956 169.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.6 m -51.14 -47.43 62.06 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.938 1.695 . . . . 10.0 115.22 -168.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.24 -24.74 3.74 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 123.788 0.709 . . . . 10.0 112.652 170.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.0 mt -52.36 -36.9 54.86 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 124.609 1.163 . . . . 10.0 112.248 171.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -48.43 -41.96 30.87 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 124.298 1.039 . . . . 10.0 113.028 177.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -68.19 -46.68 70.01 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.458 1.026 . . . . 10.0 111.212 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.6 mt -60.68 -35.8 66.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 125.447 1.499 . . . . 10.0 111.299 175.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -67.08 -53.35 31.7 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.168 1.787 . . . . 10.0 110.271 177.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -68.55 -27.25 65.92 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 118.255 -0.878 . . . . 10.0 113.111 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.41 -19.94 63.96 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 119.736 1.153 . . . . 10.0 112.727 169.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.2 mt -110.48 15.85 21.91 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.873 2.069 . . . . 10.0 112.433 170.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.77 9.92 53.6 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 126.651 2.072 . . . . 10.0 114.908 173.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.6 mt -53.52 -44.38 97.55 Favored Pre-proline 0 CA--C 1.548 0.886 0 CA-C-O 117.343 -1.313 . . . . 10.0 113.971 -169.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -56.93 -19.64 32.94 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.241 2.627 . . . . 10.0 115.869 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.17 -39.65 13.42 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 119.076 0.853 . . . . 10.0 111.0 170.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.4 mt -54.86 -30.67 58.37 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.847 0.859 . . . . 10.0 111.686 171.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.8 t -54.55 -60.14 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 126.348 1.859 . . . . 10.0 110.229 169.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -59.79 -41.15 90.52 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.24 1.016 . . . . 10.0 112.43 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -58.09 -19.88 35.5 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 127.485 2.314 . . . . 10.0 113.352 170.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.25 14.73 61.7 Favored Glycine 0 CA--C 1.526 0.761 0 O-C-N 120.855 -1.153 . . . . 10.0 113.162 174.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -66.76 -8.93 31.75 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.651 1.18 . . . . 10.0 113.237 -171.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.81 -24.9 65.35 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.295 1.038 . . . . 10.0 112.238 168.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.8 mt -98.53 -30.71 12.36 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.695 1.198 . . . . 10.0 113.633 -171.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -70.52 149.62 95.55 Favored Pre-proline 0 CA--C 1.543 0.677 0 CA-C-N 118.947 0.794 . . . . 10.0 110.61 170.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -70.96 -34.97 9.8 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 122.337 2.025 . . . . 10.0 111.754 170.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.145 0 C-N-CA 128.015 2.526 . . . . 10.0 112.399 177.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 CA--C 1.534 0.477 0 N-CA-C 110.746 -0.521 . . . . 10.0 110.746 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -121.18 -76.12 0.59 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 117.879 -1.058 . . . . 10.0 111.373 -178.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -41.0 96.06 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.952 1.251 . . . . 10.0 108.723 169.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.51 ' HB2' ' HA ' ' A' ' 1' ' ' GLU . 2.2 t -78.47 106.91 10.74 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 105.595 -2.002 . . . . 10.0 105.595 167.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . 0.472 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.8 OUTLIER -89.84 -13.85 9.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-O 120.818 0.342 . . . . 10.0 110.548 -174.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 16.0 p -119.04 13.54 0.07 OUTLIER Pre-proline 0 CA--C 1.549 0.923 0 N-CA-C 117.335 2.346 . . . . 10.0 117.335 -175.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -72.14 -17.12 28.26 Favored 'Trans proline' 0 CA--C 1.548 1.181 0 CA-C-N 124.506 2.645 . . . . 10.0 112.508 -176.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 49.9 p -81.04 -49.14 11.28 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.693 1.197 . . . . 10.0 111.298 169.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.45 -29.07 65.88 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.505 1.522 . . . . 10.0 112.128 171.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 33.4 tp -55.43 -27.68 49.48 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.848 2.059 . . . . 10.0 111.956 169.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.75 -60.41 1.92 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.959 0.904 . . . . 10.0 109.221 168.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.47 -47.32 34.01 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 116.894 2.183 . . . . 10.0 116.894 -168.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.1 tp -73.77 -36.86 65.13 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.849 0.749 . . . . 10.0 109.658 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 21.5 tp -57.2 -55.01 40.25 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 124.43 1.092 . . . . 10.0 111.17 171.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 12.6 ttp85 -55.89 -47.61 77.11 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.987 1.715 . . . . 10.0 111.944 172.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' THR . . . . . 0.41 HG22 HE21 ' B' ' 75' ' ' GLN . 16.1 m -53.5 -55.77 22.64 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.215 1.406 . . . . 10.0 112.533 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.1 -24.14 58.06 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.223 0.823 . . . . 10.0 113.223 177.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -60.58 -42.16 96.14 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.153 0.888 . . . . 10.0 111.082 169.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 9.0 p -68.72 108.31 2.82 Favored Pre-proline 0 CA--C 1.551 1.01 0 N-CA-C 107.738 -1.208 . . . . 10.0 107.738 168.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.39 155.6 45.88 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.127 1.884 . . . . 10.0 116.796 -169.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 4.8 m -55.72 16.95 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 130.856 3.662 . . . . 10.0 118.109 -169.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.1 t -78.08 -86.07 0.02 OUTLIER Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 120.66 1.573 . . . . 10.0 110.756 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -69.84 -14.52 35.93 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 CA-C-N 123.694 2.355 . . . . 10.0 112.206 169.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -78.89 3.49 16.79 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.415 1.886 . . . . 10.0 114.373 173.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -18.4 54.69 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.973 1.709 . . . . 10.0 113.012 169.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -85.77 -170.65 3.2 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.253 1.421 . . . . 10.0 113.513 -170.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -61.35 -7.65 3.18 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 116.285 1.957 . . . . 10.0 116.285 -177.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . 0.41 HE21 HG22 ' B' ' 63' ' ' THR . 1.3 pm0 -67.73 -30.02 69.4 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 121.825 2.102 . . . . 10.0 113.234 -171.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.9 t -66.9 -52.91 39.35 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 108.585 -0.894 . . . . 10.0 108.585 169.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.27 -35.98 78.78 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 121.964 0.888 . . . . 10.0 111.283 -172.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -59.88 -38.57 82.6 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.723 1.609 . . . . 10.0 113.615 172.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 17.7 mt -83.76 -39.5 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 119.552 1.069 . . . . 10.0 109.645 177.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mt -41.52 -60.22 1.38 Allowed 'General case' 0 C--O 1.24 0.557 0 C-N-CA 127.332 2.253 . . . . 10.0 112.322 172.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . 0.28 0.1 OUTLIER -66.27 -7.99 22.02 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.259 1.578 . . . . 10.0 115.259 -178.127 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 32.5 p -84.29 -8.62 58.97 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.903 1.445 . . . . 10.0 114.903 171.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.45 72.73 57.48 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 123.294 0.638 . . . . 10.0 111.1 175.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -49.05 -31.06 19.8 Favored 'Trans proline' 0 N--CA 1.456 -0.701 1 C-N-CA 125.373 4.049 . . . . 10.0 117.217 -175.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.42 -47.19 70.97 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.405 1.457 . . . . 10.0 111.384 174.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.8 -38.21 87.26 Favored 'General case' 0 C--O 1.217 -0.658 0 C-N-CA 124.003 0.921 . . . . 10.0 109.869 170.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 4.9 ttt -60.67 -43.7 97.34 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.389 -0.82 . . . . 10.0 112.809 177.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.61 93.03 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 122.066 -0.396 . . . . 10.0 111.605 172.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.34 -37.02 84.05 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.334 0.864 . . . . 10.0 113.334 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -58.49 -59.51 5.24 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 126.514 1.925 . . . . 10.0 107.478 169.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 65.2 mt -49.81 -52.52 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 CA-C-N 118.503 0.592 . . . . 10.0 110.416 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -60.65 -60.53 3.65 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.757 1.223 . . . . 10.0 112.409 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -30.0 64.65 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 117.016 -1.469 . . . . 10.0 111.165 -173.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -62.62 -44.14 97.04 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 121.699 2.045 . . . . 10.0 110.514 169.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 4.2 m -59.89 -46.02 90.65 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 122.058 -0.401 . . . . 10.0 110.813 175.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.87 87.61 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.889 0.876 . . . . 10.0 112.057 173.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -51.51 26.64 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.991 1.717 . . . . 10.0 110.212 171.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -59.74 -60.08 4.4 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 117.548 -1.215 . . . . 10.0 112.422 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 34.7 m -57.47 -28.71 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 119.834 1.197 . . . . 10.0 112.894 -173.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.32 1.62 56.36 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.8 2.148 . . . . 10.0 116.8 174.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -146.84 -42.12 0.19 Allowed 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 120.396 1.453 . . . . 10.0 114.154 -169.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -142.76 79.72 14.68 Favored Pre-proline 0 CA--C 1.546 0.825 0 C-N-CA 127.557 2.343 . . . . 10.0 107.558 171.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -73.81 171.38 17.97 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 122.868 2.379 . . . . 10.0 111.927 -175.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -111.7 -126.49 4.82 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 109.326 -1.51 . . . . 10.0 109.326 172.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 3.0 ptm -78.17 -0.22 27.53 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 118.339 1.07 . . . . 10.0 111.135 168.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.098 0 C-N-CA 128.447 2.699 . . . . 10.0 107.276 169.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 113.673 0.99 . . . . 10.0 113.673 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.43 19.28 1.47 Allowed Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.2 1.381 . . . . 10.0 115.642 -174.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 64.5 -49.95 0.31 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 129.294 3.038 . . . . 10.0 113.127 -171.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.1 m -61.62 -35.86 79.1 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.565 1.946 . . . . 10.0 113.285 178.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 37.4 p30 -76.82 -24.9 52.75 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.122 1.369 . . . . 10.0 112.868 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -52.82 -33.33 48.74 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 117.92 -1.038 . . . . 10.0 112.869 -177.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.99 -39.97 96.36 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.986 1.266 . . . . 10.0 112.298 176.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.46 -40.86 73.45 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.909 0.483 . . . . 10.0 111.64 174.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.9 mt -64.2 -41.55 97.02 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 122.97 0.508 . . . . 10.0 111.794 175.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.13 -48.69 80.66 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 128.376 2.671 . . . . 10.0 110.295 170.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.424 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 51.3 m-20 -57.97 -54.44 46.96 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 118.678 -0.677 . . . . 10.0 112.743 176.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -63.79 -30.22 71.34 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.266 0.939 . . . . 10.0 113.444 177.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.1 tp -75.7 -41.94 52.3 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 118.502 0.592 . . . . 10.0 112.338 176.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 11' ' ' ASP . 1.8 p80 -72.12 -28.15 63.09 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.561 -1.337 . . . . 10.0 110.982 175.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.5 m -65.82 -42.59 90.41 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.909 0.777 . . . . 10.0 110.762 169.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.3 tp -56.15 -49.56 73.62 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 117.598 -1.192 . . . . 10.0 111.188 172.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.72 -23.79 67.36 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-N 120.966 1.712 . . . . 10.0 113.562 173.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.418 ' CB ' HE21 ' B' ' 93' ' ' GLN . 70.6 m -95.0 -10.56 30.56 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 115.361 1.615 . . . . 10.0 115.361 -173.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -41.01 -16.98 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 130.941 3.696 . . . . 10.0 117.99 -169.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.264 57.8 p 120.17 -14.99 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.699 1 C-N-CA 135.691 5.596 . . . . 10.0 111.906 169.661 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -56.45 150.65 14.68 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-O 123.464 1.602 . . . . 10.0 112.544 173.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -142.92 -0.39 1.16 Allowed 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 128.026 2.531 . . . . 10.0 112.085 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.6 m -51.02 -57.56 8.31 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.283 1.401 . . . . 10.0 113.473 -169.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.45 -23.48 6.28 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.99 1.281 . . . . 10.0 110.518 168.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 mt -50.23 -33.27 19.01 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-O 117.662 -1.161 . . . . 10.0 113.917 170.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -48.8 -56.11 9.62 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.531 1.132 . . . . 10.0 112.231 169.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -52.56 -46.01 66.66 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.333 1.453 . . . . 10.0 112.15 175.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.5 mt -62.93 -44.47 99.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 124.374 1.069 . . . . 10.0 110.168 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -62.14 -46.29 89.67 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.37 1.068 . . . . 10.0 110.221 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -61.08 -43.67 98.53 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.157 0.889 . . . . 10.0 111.407 174.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.69 -19.7 41.92 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.782 1.03 . . . . 10.0 113.782 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.5 mt -113.32 15.77 19.16 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.614 1.166 . . . . 10.0 113.162 171.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.74 11.56 66.07 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.7 1.619 . . . . 10.0 114.703 174.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.2 mt -57.24 -44.68 99.8 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 124.693 1.197 . . . . 10.0 113.003 -169.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.27 -26.44 82.62 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.058 1.838 . . . . 10.0 115.444 171.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -77.25 -36.83 54.15 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.231 -0.918 . . . . 10.0 110.861 171.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.03 -34.81 72.33 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.269 0.941 . . . . 10.0 111.18 169.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.6 t -68.06 -47.16 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 124.793 1.237 . . . . 10.0 111.611 169.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -55.66 -45.53 77.69 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 119.792 1.178 . . . . 10.0 112.561 174.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -64.12 -19.66 65.42 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.642 1.177 . . . . 10.0 113.132 171.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.18 4.76 90.43 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.71 1.624 . . . . 10.0 114.243 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -1.6 11.37 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.125 1.158 . . . . 10.0 114.125 -170.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.18 -29.63 5.81 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.709 1.204 . . . . 10.0 112.462 169.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.5 mt -75.09 -16.48 60.56 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.394 1.878 . . . . 10.0 114.748 175.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -72.27 151.01 92.15 Favored Pre-proline 0 N--CA 1.473 0.704 0 CA-C-N 120.105 1.321 . . . . 10.0 111.125 169.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -69.73 -7.95 22.35 Favored 'Trans proline' 0 CA--C 1.551 1.351 0 C-N-CA 122.847 2.365 . . . . 10.0 112.781 168.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.94 0 C-N-CA 128.006 2.522 . . . . 10.0 111.596 -169.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . 0.257 1.6 Cg_endo . . . . . 0 N--CA 1.487 1.113 0 N-CA-C 109.243 -1.099 . . . . 10.0 109.243 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -161.7 -79.45 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.918 1.687 . . . . 10.0 110.805 -173.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 45.1 ptt85 -63.78 -49.81 71.47 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 119.582 1.083 . . . . 10.0 109.349 169.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 6.0 p -105.21 116.31 31.73 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 128.969 2.908 . . . . 10.0 104.236 169.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.82 -20.67 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-O 119.206 -0.426 . . . . 10.0 111.145 -170.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 86.5 p -105.13 -9.43 0.12 Allowed Pre-proline 0 C--O 1.212 -0.876 0 N-CA-C 119.47 3.137 . . . . 10.0 119.47 -174.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -60.83 -22.44 73.79 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 CA-C-N 126.313 3.29 . . . . 10.0 115.774 -168.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 17.2 p -80.61 -57.16 3.7 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.02 0.528 . . . . 10.0 110.806 169.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.18 -27.48 63.88 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 125.233 1.413 . . . . 10.0 112.819 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 44.4 tp -58.63 -33.34 69.93 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 128.686 2.794 . . . . 10.0 111.639 171.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -90.27 -59.73 2.11 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.021 0.928 . . . . 10.0 109.918 169.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.33 -41.53 24.64 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 117.922 2.564 . . . . 10.0 117.922 -168.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 tp -72.17 -36.07 69.19 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 120.406 1.457 . . . . 10.0 108.325 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.68 -58.8 6.11 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.005 1.322 . . . . 10.0 110.289 169.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 20.5 ttp85 -47.69 -49.62 27.29 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 126.345 1.858 . . . . 10.0 112.609 170.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.96 -19.85 61.5 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 127.693 2.397 . . . . 10.0 115.319 -177.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.88 -17.2 9.83 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.278 1.214 . . . . 10.0 114.278 170.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -59.07 -37.32 76.8 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 107.649 -1.241 . . . . 10.0 107.649 167.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 7.8 p -79.3 110.45 15.08 Favored Pre-proline 0 CA--C 1.551 1.017 0 N-CA-C 102.098 -3.297 . . . . 10.0 102.098 165.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -67.76 156.42 66.06 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.237 1.958 . . . . 10.0 115.968 -167.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 24.8 p -58.67 -16.15 14.99 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 115.802 1.779 . . . . 10.0 115.802 -168.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.7 t -47.74 -68.17 0.34 Allowed Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 125.545 1.538 . . . . 10.0 113.13 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -81.03 -20.66 7.29 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.132 1.888 . . . . 10.0 111.84 168.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -82.63 69.79 9.48 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.357 1.463 . . . . 10.0 112.323 -173.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -55.95 169.47 0.37 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.511 2.324 . . . . 10.0 114.522 169.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -39.76 70.23 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 115.693 1.738 . . . . 10.0 115.693 -170.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 11.0 pm0 -50.05 -53.02 29.79 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 120.219 1.372 . . . . 10.0 114.068 -169.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -72.3 -33.17 67.21 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 117.819 -1.086 . . . . 10.0 113.782 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -70.24 -54.4 18.85 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 CA-C-N 119.829 1.195 . . . . 10.0 107.966 176.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.97 -36.21 76.63 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.992 1.317 . . . . 10.0 110.034 -173.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -61.42 -34.98 76.29 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 114.431 1.271 . . . . 10.0 114.431 174.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 18.5 mt -90.32 -39.11 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 119.577 1.081 . . . . 10.0 110.584 178.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.3 mt -40.57 -50.79 2.99 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 128.336 2.655 . . . . 10.0 111.966 171.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 35.1 pttt -58.95 -23.66 61.77 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.809 1.04 . . . . 10.0 113.809 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 57.8 p -83.31 -11.86 57.26 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 114.552 1.316 . . . . 10.0 114.552 -173.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -123.38 99.52 39.81 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 105.927 -1.879 . . . . 10.0 105.927 169.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.89 -30.18 17.38 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 123.317 2.678 . . . . 10.0 111.977 -169.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -67.0 -46.44 74.54 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.202 1.001 . . . . 10.0 110.694 172.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.91 -37.87 88.99 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 124.395 1.078 . . . . 10.0 110.082 174.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -52.21 66.44 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.506 1.048 . . . . 10.0 111.338 174.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.03 -43.63 98.6 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.107 0.41 . . . . 10.0 112.107 174.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.39 90.9 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.139 -0.975 . . . . 10.0 112.46 175.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -57.55 -57.55 12.19 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 124.784 1.233 . . . . 10.0 108.276 170.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 95.5 mt -52.8 -58.81 2.16 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 O-C-N 123.393 0.433 . . . . 10.0 110.766 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.504 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.8 OUTLIER -60.84 -53.75 53.56 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 121.478 -0.764 . . . . 10.0 112.769 -176.49 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.418 HE21 ' CB ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -70.7 -38.39 73.66 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 116.018 -1.944 . . . . 10.0 110.746 -175.806 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -56.69 -42.45 79.09 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 122.604 2.457 . . . . 10.0 111.185 170.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 1.9 m -56.93 -44.97 83.02 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.006 0.523 . . . . 10.0 111.859 175.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.63 90.33 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.926 0.89 . . . . 10.0 113.285 172.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -42.96 61.03 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.11 1.764 . . . . 10.0 110.91 173.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -60.69 -60.72 3.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 118.633 -0.699 . . . . 10.0 112.069 173.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 34.4 m -62.88 -19.81 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 CA-C-N 119.7 1.136 . . . . 10.0 113.408 -177.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.26 -27.69 20.41 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 116.046 1.869 . . . . 10.0 116.046 173.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -136.17 -15.95 1.68 Allowed 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 120.328 1.422 . . . . 10.0 114.783 -170.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -144.86 67.43 13.73 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 125.522 1.529 . . . . 10.0 110.105 171.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -83.62 -3.65 10.67 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.972 2.448 . . . . 10.0 114.344 -173.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.18 74.48 0.52 Allowed Glycine 0 C--N 1.341 0.814 0 N-CA-C 108.194 -1.963 . . . . 10.0 108.194 169.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 14.6 ptp -43.71 112.19 0.36 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.796 2.039 . . . . 10.0 112.667 -169.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.035 0 C-N-CA 125.154 1.382 . . . . 10.0 110.648 -169.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 113.16 0.8 . . . . 10.0 113.16 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.92 9.15 62.72 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-N 119.89 1.223 . . . . 10.0 114.45 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -143.19 -66.56 0.37 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.337 1.455 . . . . 10.0 110.519 -178.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.6 m -70.15 -17.45 63.18 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 127.452 2.301 . . . . 10.0 112.154 -174.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.09 -10.97 59.74 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 117.702 -1.142 . . . . 10.0 112.517 172.041 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -54.92 -60.31 3.54 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.358 1.435 . . . . 10.0 111.989 -177.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.01 -40.91 95.59 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 118.977 0.808 . . . . 10.0 111.991 -169.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.98 -42.48 94.52 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 117.855 -1.069 . . . . 10.0 112.151 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.427 ' CD2' ' HG ' ' B' ' 53' ' ' SER 0.328 0.0 OUTLIER -74.73 -36.6 62.64 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 120.375 1.443 . . . . 10.0 111.262 -179.268 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.9 tp -56.05 -49.24 74.29 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 127.233 2.213 . . . . 10.0 109.875 170.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.409 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 83.8 m-20 -56.23 -55.66 30.53 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 123.579 0.752 . . . . 10.0 112.141 178.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -65.42 -30.87 71.72 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.761 -0.587 . . . . 10.0 112.525 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.3 tp -76.77 -40.96 46.53 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-O 117.533 -1.223 . . . . 10.0 111.775 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.409 ' CE1' ' HA ' ' A' ' 11' ' ' ASP . 1.8 p-80 -71.11 -25.5 62.62 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.593 1.542 . . . . 10.0 111.543 174.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.4 m -66.3 -49.89 65.52 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 117.94 -1.029 . . . . 10.0 110.582 169.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 tp -52.32 -53.83 39.39 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.407 1.003 . . . . 10.0 110.338 169.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -4.03 7.16 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 115.544 1.683 . . . . 10.0 115.544 -175.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.4 t -143.83 24.2 1.69 Allowed 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.972 1.101 . . . . 10.0 113.972 175.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -52.6 -10.31 0.15 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 128.59 2.756 . . . . 10.0 118.23 -169.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.278 39.3 p 124.92 -17.51 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.926 1 C-N-CA 133.888 4.875 . . . . 10.0 112.055 176.861 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -65.53 160.53 22.13 Favored 'General case' 0 CA--C 1.553 1.061 0 CA-C-O 122.88 1.324 . . . . 10.0 112.057 169.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.02 -8.63 0.61 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.678 2.391 . . . . 10.0 113.985 168.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.7 m -49.3 -41.87 39.53 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 128.546 2.738 . . . . 10.0 115.693 -167.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.13 -3.12 8.27 Favored Glycine 0 N--CA 1.468 0.767 0 C-N-CA 124.249 0.928 . . . . 10.0 113.352 169.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 mp -70.93 -22.59 62.22 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.236 -1.156 . . . . 10.0 109.402 169.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.17 -52.67 2.57 Favored 'General case' 0 C--N 1.346 0.448 0 C-N-CA 127.77 2.428 . . . . 10.0 114.024 175.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.73 -50.91 70.79 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.969 0.804 . . . . 10.0 112.176 176.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 mm -62.33 -40.22 87.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 124.13 0.972 . . . . 10.0 109.658 -176.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.419 ' CG ' ' HH ' ' B' ' 98' ' ' TYR . 2.1 p30 -78.07 -31.25 50.09 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 117.716 -1.135 . . . . 10.0 113.464 -179.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.5 ptt-85 -70.44 -37.51 74.38 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.963 1.256 . . . . 10.0 111.017 169.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.47 -20.11 52.77 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.877 1.065 . . . . 10.0 113.877 172.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.8 mt -111.38 9.49 21.5 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.927 1.691 . . . . 10.0 112.655 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.35 12.69 58.96 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.754 1.169 . . . . 10.0 115.239 176.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.6 mt -53.3 -47.52 95.78 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-O 117.337 -1.316 . . . . 10.0 112.759 -171.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -55.28 -19.15 20.63 Favored 'Trans proline' 0 CA--C 1.545 1.047 0 C-N-CA 123.808 3.005 . . . . 10.0 115.928 172.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -90.64 -36.52 14.34 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 120.264 1.393 . . . . 10.0 111.694 169.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.5 mt -58.13 -29.11 65.27 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.009 -1.057 . . . . 10.0 111.37 169.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.68 -54.39 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 126.452 1.901 . . . . 10.0 110.162 169.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -59.29 -40.36 85.9 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.227 1.011 . . . . 10.0 112.087 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -69.22 -20.04 63.96 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.548 1.139 . . . . 10.0 113.517 173.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.56 17.6 72.94 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 124.208 0.908 . . . . 10.0 114.639 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -60.71 -19.44 58.71 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 118.841 1.32 . . . . 10.0 113.45 -171.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.78 -31.97 71.32 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.871 1.668 . . . . 10.0 113.369 169.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.9 mt -76.35 -19.42 58.21 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.592 1.157 . . . . 10.0 112.807 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -83.8 123.51 75.96 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-O 117.85 -1.072 . . . . 10.0 109.566 169.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.19 -1.54 0.93 Allowed 'Trans proline' 0 CA--C 1.548 1.181 0 C-N-CA 124.322 3.348 . . . . 10.0 115.159 169.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp . . . . . 0 C--O 1.252 1.215 0 C-N-CA 129.49 3.116 . . . . 10.0 110.185 -171.37 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo . . . . . 0 CA--C 1.542 0.91 0 N-CA-C 105.016 -2.725 . . . . 10.0 105.016 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . 0.469 ' ND2' ' H ' ' B' ' 50' ' ' ARG . 3.0 p-10 -156.54 -74.15 0.1 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.172 1.389 . . . . 10.0 109.793 -167.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.469 ' H ' ' ND2' ' B' ' 49' ' ' ASN . 2.2 mpp_? -81.23 -56.21 4.22 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 106.313 -1.736 . . . . 10.0 106.313 168.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 96.8 p -81.11 120.52 24.94 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 105.498 -2.038 . . . . 10.0 105.498 166.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 2.2 mp -90.15 -28.67 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.367 -169.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' SER . . . . . 0.427 ' HG ' ' CD2' ' A' ' 9' ' ' LEU . 6.8 p -100.07 11.9 0.05 OUTLIER Pre-proline 0 CA--C 1.551 1.0 0 N-CA-C 118.043 2.609 . . . . 10.0 118.043 -176.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -63.63 -13.64 37.84 Favored 'Trans proline' 0 CA--C 1.547 1.15 0 CA-C-N 126.933 3.512 . . . . 10.0 113.685 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 15.0 p -83.74 -51.89 6.87 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.766 1.627 . . . . 10.0 110.948 168.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.73 -24.85 58.99 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 125.256 1.422 . . . . 10.0 113.079 170.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 42.0 tp -57.57 -25.2 59.64 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.928 2.091 . . . . 10.0 111.826 169.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -93.44 -57.74 2.5 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.891 0.877 . . . . 10.0 109.798 169.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -81.62 -39.27 24.73 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 117.186 2.291 . . . . 10.0 117.186 -169.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.66 -32.88 64.22 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.591 1.087 . . . . 10.0 109.608 173.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 tp -58.11 -59.59 5.05 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.538 -0.744 . . . . 10.0 110.88 171.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -34.56 72.23 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.816 1.189 . . . . 10.0 112.654 175.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 5.5 m -57.81 -29.88 65.27 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 127.598 2.359 . . . . 10.0 115.956 177.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.13 -19.59 12.23 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.517 0.932 . . . . 10.0 113.517 173.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -63.45 -36.92 85.33 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.423 -0.955 . . . . 10.0 108.423 168.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 8.3 p -70.87 115.86 40.27 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 103.989 -2.597 . . . . 10.0 103.989 167.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -58.85 146.3 93.63 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 N-CA-C 117.763 2.178 . . . . 10.0 117.763 -168.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 99.8 p -53.37 -28.14 27.61 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 127.753 2.421 . . . . 10.0 114.204 -169.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.7 t -40.85 -72.99 0.1 OUTLIER Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 126.432 1.893 . . . . 10.0 114.7 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -79.1 -11.44 14.85 Favored 'Trans proline' 0 CA--C 1.546 1.078 0 C-N-CA 122.856 2.371 . . . . 10.0 113.487 169.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -89.59 -0.95 57.86 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.642 1.349 . . . . 10.0 114.642 -172.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -15.09 56.02 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 128.755 2.822 . . . . 10.0 115.003 175.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -64.37 172.22 2.68 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 125.195 1.398 . . . . 10.0 113.237 174.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -48.94 -19.05 0.34 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 127.909 2.484 . . . . 10.0 116.682 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -59.59 -32.39 70.34 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 120.41 1.459 . . . . 10.0 114.278 -176.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.32 -53.49 32.17 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 N-CA-C 107.328 -1.36 . . . . 10.0 107.328 174.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.63 -37.25 83.3 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.475 1.11 . . . . 10.0 110.405 -171.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -61.93 -34.35 75.94 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.69 1.596 . . . . 10.0 113.758 175.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.6 mt -90.61 -38.04 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 119.409 1.004 . . . . 10.0 110.68 176.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.6 mt -42.91 -49.23 5.92 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 128.248 2.619 . . . . 10.0 111.794 173.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -59.94 -14.15 14.42 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.325 1.602 . . . . 10.0 115.325 -175.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 89.8 p -71.77 -56.92 4.87 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.066 1.346 . . . . 10.0 113.75 -175.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -90.09 107.96 22.97 Favored Pre-proline 0 CA--C 1.544 0.719 0 CA-C-N 119.17 0.895 . . . . 10.0 109.579 172.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -66.05 -32.45 43.93 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 122.502 2.135 . . . . 10.0 112.265 -176.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -66.25 -45.96 78.78 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 123.878 0.871 . . . . 10.0 109.997 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.5 -42.63 96.74 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.831 0.852 . . . . 10.0 110.806 172.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -49.71 76.36 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.734 0.697 . . . . 10.0 111.448 177.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.36 -42.1 99.13 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.387 -0.82 . . . . 10.0 112.052 174.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.26 -42.43 99.33 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.489 1.116 . . . . 10.0 112.543 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -55.27 -54.59 41.56 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 124.257 1.023 . . . . 10.0 110.126 171.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 96.3 mt -53.39 -56.03 10.24 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 123.564 0.746 . . . . 10.0 110.343 176.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -57.51 -57.43 12.74 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.833 0.853 . . . . 10.0 112.399 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -39.72 92.3 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 117.649 -1.167 . . . . 10.0 111.246 -175.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 38.5 mmm-85 -58.61 -44.3 89.89 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.744 1.611 . . . . 10.0 111.882 171.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -61.04 -42.47 98.53 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 118.611 -0.709 . . . . 10.0 110.493 175.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.77 -53.51 57.11 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.563 1.145 . . . . 10.0 113.15 174.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -45.63 -49.65 14.09 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 127.361 2.264 . . . . 10.0 110.067 170.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' TYR . . . . . 0.419 ' HH ' ' CG ' ' A' ' 29' ' ' ASP . 12.9 m-85 -63.44 -59.22 4.95 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 117.132 -1.414 . . . . 10.0 113.613 174.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 33.5 m -61.48 -23.06 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 121.391 1.905 . . . . 10.0 113.117 -173.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.64 5.96 33.37 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.287 1.217 . . . . 10.0 114.287 171.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -129.4 -39.51 1.49 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.715 1.606 . . . . 10.0 111.926 177.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -140.66 90.12 9.97 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 130.401 3.48 . . . . 10.0 106.744 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . 0.255 18.1 Cg_endo -56.6 -53.8 4.68 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.349 2.699 . . . . 10.0 114.852 -168.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 78.5 -53.75 3.97 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 120.848 1.658 . . . . 10.0 112.434 172.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -8.68 49.87 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.953 1.301 . . . . 10.0 111.682 168.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.253 1.276 0 C-N-CA 131.311 3.844 . . . . 10.0 107.719 171.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 119.063 -0.494 . . . . 10.0 110.397 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -63.1 -56.21 18.82 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 118.74 -0.647 . . . . 10.0 110.774 173.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.42 85.44 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.304 -0.855 . . . . 10.0 112.777 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.511 HD22 ' C ' ' A' ' 9' ' ' LEU 0.337 0.0 OUTLIER -77.21 -32.43 55.95 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 119.297 0.953 . . . . 10.0 111.733 178.535 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.3 tp -60.82 -48.68 80.69 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.822 1.249 . . . . 10.0 110.706 169.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -55.4 -54.15 47.25 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.923 0.889 . . . . 10.0 112.53 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -65.28 -32.64 74.4 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.902 -0.57 . . . . 10.0 111.443 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 tp -73.86 -42.48 60.73 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-O 117.621 -1.18 . . . . 10.0 111.369 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -72.32 -25.78 61.69 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.459 1.482 . . . . 10.0 111.37 175.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.4 m -65.22 -50.66 65.01 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-O 118.201 -0.904 . . . . 10.0 110.567 170.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.442 HD22 HD12 ' B' ' 61' ' ' LEU . 4.2 tp -51.2 -57.93 7.48 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.947 1.248 . . . . 10.0 110.352 170.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.619 HD12 HD22 ' B' ' 64' ' ' LEU . 2.8 tp -70.81 0.17 7.73 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.883 1.273 . . . . 10.0 113.894 -171.358 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.446 ' C ' ' H ' ' A' ' 20' ' ' THR . 52.2 p -143.9 21.85 1.77 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.271 1.212 . . . . 10.0 114.271 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -57.42 4.72 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 129.591 3.156 . . . . 10.0 116.66 -173.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.446 ' H ' ' C ' ' A' ' 18' ' ' SER . 5.2 p 130.32 -85.04 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.415 1 C-N-CA 136.447 5.899 . . . . 10.0 103.096 -169.463 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -151.35 -173.77 4.61 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.789 1.177 . . . . 10.0 112.382 -176.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.24 139.52 9.59 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 128.339 2.656 . . . . 10.0 106.756 168.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.0 t -55.53 -19.82 11.1 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 118.266 2.691 . . . . 10.0 118.266 -168.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.06 -14.59 24.21 Favored Glycine 0 CA--C 1.533 1.213 0 CA-C-N 119.843 1.201 . . . . 10.0 113.83 169.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 tp -53.71 -26.04 21.23 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 126.313 1.845 . . . . 10.0 114.028 170.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -57.25 -46.19 83.25 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.671 0.668 . . . . 10.0 111.589 169.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -65.39 -46.98 77.93 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 118.457 -0.782 . . . . 10.0 110.535 175.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.2 mm -57.15 -38.7 62.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 118.634 0.652 . . . . 10.0 110.825 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -65.99 -54.14 29.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.153 0.981 . . . . 10.0 111.291 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.1 ptt85 -66.25 -30.59 71.06 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.079 -1.013 . . . . 10.0 113.635 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.54 -19.92 62.67 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.761 1.164 . . . . 10.0 113.088 169.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.6 mt -110.38 13.13 22.92 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.417 1.887 . . . . 10.0 112.142 174.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.54 12.74 41.66 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.557 1.551 . . . . 10.0 115.514 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.282 42.1 mt -53.23 -48.0 93.92 Favored Pre-proline 0 N--CA 1.468 0.458 0 CA-C-O 117.052 -1.451 . . . . 10.0 113.703 -169.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -56.35 -20.35 32.09 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.998 2.465 . . . . 10.0 116.248 172.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -83.88 -45.83 12.8 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.313 1.045 . . . . 10.0 109.48 169.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.0 mt -54.41 -27.24 35.52 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.55 1.14 . . . . 10.0 113.142 175.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 N--CA 1.478 0.941 0 C-N-CA 125.482 1.513 . . . . 10.0 110.745 169.687 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.456 0 N-CA-C 103.56 -2.756 . . . . 10.0 103.56 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.479 ' H ' HD12 ' B' ' 52' ' ' ILE . 2.5 mp -90.52 -27.13 5.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 123.705 0.802 . . . . 10.0 110.643 -171.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 2.3 p -101.54 12.45 0.06 OUTLIER Pre-proline 0 CA--C 1.553 1.096 0 C-N-CA 127.561 2.344 . . . . 10.0 116.999 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -68.7 -13.26 36.69 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 124.046 3.164 . . . . 10.0 113.148 -172.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 12.8 p -86.4 -49.39 7.67 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.983 1.713 . . . . 10.0 110.971 169.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.24 -24.73 56.67 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.921 1.689 . . . . 10.0 112.068 170.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 48.7 tp -54.84 -30.08 56.66 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 125.652 1.581 . . . . 10.0 111.108 169.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -90.91 -58.77 2.36 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 169.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.2 -37.68 45.0 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 118.43 2.752 . . . . 10.0 118.43 -168.277 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.9 tp -76.08 -34.16 59.54 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.787 1.63 . . . . 10.0 110.453 173.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.442 HD12 HD22 ' A' ' 16' ' ' LEU . 19.6 tp -58.79 -59.64 5.1 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.953 0.901 . . . . 10.0 110.183 171.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -27.61 69.52 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.848 1.203 . . . . 10.0 112.492 176.165 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 17.8 m -62.98 -21.3 66.03 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 114.818 1.414 . . . . 10.0 114.818 172.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.619 HD22 HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -117.51 -22.04 8.33 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 113.813 1.042 . . . . 10.0 113.813 171.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -63.52 -41.24 98.5 Favored 'General case' 0 C--N 1.345 0.385 0 N-CA-C 108.255 -1.017 . . . . 10.0 108.255 168.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 67.1 p -80.35 111.82 25.72 Favored Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 102.959 -2.978 . . . . 10.0 102.959 166.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -52.16 150.68 18.68 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.437 2.091 . . . . 10.0 116.967 -168.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 23.8 m -61.83 23.69 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.752 2.021 . . . . 10.0 115.854 174.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -90.09 -68.12 0.11 Allowed Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 124.805 1.242 . . . . 10.0 107.707 168.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.16 -25.28 26.93 Favored 'Trans proline' 0 C--N 1.357 0.975 0 CA-C-N 121.583 1.601 . . . . 10.0 110.397 168.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -90.48 24.58 2.56 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.845 1.658 . . . . 10.0 114.635 169.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -64.91 -20.08 66.26 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 115.236 1.569 . . . . 10.0 115.236 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.448 ' NE2' ' H ' ' B' ' 73' ' ' GLN . 0.0 OUTLIER -79.85 172.86 13.22 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 123.105 1.431 . . . . 10.0 113.052 -170.506 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -55.72 1.5 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 128.609 2.763 . . . . 10.0 114.412 170.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.7 -23.99 65.3 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 120.664 1.574 . . . . 10.0 112.332 170.259 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.38 -54.9 19.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 N-CA-C 106.902 -1.518 . . . . 10.0 106.902 169.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -35.45 73.81 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.034 1.734 . . . . 10.0 112.032 -172.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -70.4 -29.28 65.86 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.603 1.161 . . . . 10.0 113.987 176.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 9.0 mt -90.64 -36.12 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 120.704 1.593 . . . . 10.0 111.017 172.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 mt -41.49 -50.74 3.94 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 128.635 2.774 . . . . 10.0 111.425 175.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -59.93 -19.29 51.03 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 115.486 1.661 . . . . 10.0 115.486 -175.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 75.3 p -66.32 -52.54 46.13 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.671 1.188 . . . . 10.0 113.77 -170.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -92.89 108.73 34.36 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 108.536 -0.913 . . . . 10.0 108.536 169.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -64.39 -32.58 60.46 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.754 2.303 . . . . 10.0 111.821 -174.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -70.5 -39.43 74.15 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.622 0.769 . . . . 10.0 111.146 175.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.33 -46.18 90.82 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.866 0.757 . . . . 10.0 109.642 170.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -50.23 74.28 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.844 0.747 . . . . 10.0 111.839 177.092 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.82 98.14 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.183 -0.948 . . . . 10.0 112.919 175.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.09 91.31 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.341 1.057 . . . . 10.0 112.055 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -57.79 -61.2 2.7 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 107.712 -1.218 . . . . 10.0 107.712 169.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 69.6 mt -55.11 -46.01 77.32 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 119.508 1.049 . . . . 10.0 111.492 -175.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -57.57 -60.05 4.26 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 124.675 1.19 . . . . 10.0 111.723 175.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -32.03 69.76 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 119.172 0.896 . . . . 10.0 111.424 -176.181 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -55.43 -54.04 48.71 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.723 1.601 . . . . 10.0 109.014 169.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 1.5 m -59.48 -42.8 92.91 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.639 0.375 . . . . 10.0 111.948 176.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.08 -47.5 85.03 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.16 0.984 . . . . 10.0 112.885 175.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -40.33 73.71 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 124.68 1.192 . . . . 10.0 110.619 174.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -68.22 -53.31 25.69 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 117.937 -1.03 . . . . 10.0 113.061 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 30.9 m . . . . . 0 N--CA 1.48 1.06 0 CA-C-N 120.689 1.586 . . . . 10.0 111.509 178.577 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.402 ' HG3' ' H ' ' B' ' 52' ' ' ILE . 2.4 tm-20 . . . . . 0 C--O 1.212 -0.899 0 CA-C-O 116.816 -1.564 . . . . 10.0 111.955 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -35.44 69.83 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 121.387 1.903 . . . . 10.0 113.243 -176.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.07 -43.14 58.82 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.9 0.773 . . . . 10.0 111.47 174.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.06 -40.08 92.31 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.223 1.009 . . . . 10.0 110.855 176.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.4 tp -63.62 -49.33 73.73 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 130.653 3.581 . . . . 10.0 110.945 175.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -57.93 -53.35 59.2 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 123.357 0.663 . . . . 10.0 112.019 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -66.0 -34.46 78.14 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.102 0.865 . . . . 10.0 112.815 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 mt -71.46 -43.23 67.04 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 119.59 1.086 . . . . 10.0 112.788 174.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -71.28 -28.59 64.24 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 121.508 1.958 . . . . 10.0 111.191 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.2 m -63.38 -53.39 53.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 118.092 -0.956 . . . . 10.0 109.627 169.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.456 HD22 HD12 ' B' ' 61' ' ' LEU . 4.7 tp -50.9 -55.8 15.36 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 119.37 0.987 . . . . 10.0 111.442 170.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.624 HD12 HD22 ' B' ' 64' ' ' LEU . 3.2 tp -73.65 -2.49 23.32 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.044 1.127 . . . . 10.0 114.044 -171.033 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.8 p -136.69 10.7 3.15 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -43.7 -6.42 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.021 1 C-N-CA 131.834 4.054 . . . . 10.0 120.323 -169.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.1 p 121.02 -28.57 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.422 1 C-N-CA 133.95 4.9 . . . . 10.0 112.588 -176.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -61.76 162.57 8.51 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 123.295 1.521 . . . . 10.0 113.324 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.25 -15.88 1.44 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.06 2.144 . . . . 10.0 113.201 169.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 m -47.68 -45.35 28.2 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 127.118 2.167 . . . . 10.0 116.03 -169.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -127.59 28.09 4.54 Favored Glycine 0 N--CA 1.472 1.038 0 C-N-CA 124.993 1.282 . . . . 10.0 112.538 172.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 mt -110.42 -29.88 7.91 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 124.633 1.173 . . . . 10.0 109.217 169.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.34 -40.39 59.02 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.525 2.33 . . . . 10.0 113.21 176.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -60.33 -53.17 60.78 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.378 1.471 . . . . 10.0 112.662 169.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 mm -62.14 -39.19 83.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 124.398 1.079 . . . . 10.0 110.094 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -65.67 -49.52 68.28 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.704 2.002 . . . . 10.0 110.363 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.9 ptt-85 -64.62 -38.33 90.65 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.659 1.118 . . . . 10.0 112.392 175.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.63 -19.9 52.31 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 119.245 0.93 . . . . 10.0 113.321 173.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.0 mt -112.89 13.52 19.63 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.968 1.707 . . . . 10.0 112.548 175.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.88 11.57 44.45 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 126.384 1.945 . . . . 10.0 115.784 177.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.25 35.7 mt -52.08 -45.33 93.55 Favored Pre-proline 0 N--CA 1.472 0.63 0 CA-C-O 117.245 -1.36 . . . . 10.0 113.621 -169.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -57.75 -24.17 62.08 Favored 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 122.649 2.232 . . . . 10.0 116.007 174.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -79.12 -35.05 42.8 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 120.07 1.304 . . . . 10.0 111.324 170.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.95 -40.9 90.57 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.465 -0.772 . . . . 10.0 110.251 169.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 N--CA 1.477 0.879 0 C-N-CA 126.158 1.783 . . . . 10.0 111.598 172.049 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.442 -0.86 0 N-CA-C 105.918 -1.882 . . . . 10.0 105.918 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.402 ' H ' ' HG3' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -90.88 -10.07 10.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 123.566 0.747 . . . . 10.0 112.726 -170.263 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 61.9 p -103.91 0.74 0.1 OUTLIER Pre-proline 0 CA--C 1.546 0.816 0 N-CA-C 118.973 2.953 . . . . 10.0 118.973 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -64.93 -19.45 63.99 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 CA-C-N 124.82 2.757 . . . . 10.0 114.655 -172.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 13.1 p -84.05 -47.19 11.2 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.895 0.878 . . . . 10.0 111.375 169.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.98 -30.03 63.75 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.46 1.504 . . . . 10.0 112.555 172.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 44.0 tp -56.02 -19.9 14.59 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 127.178 2.191 . . . . 10.0 112.036 170.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -104.31 -59.89 1.67 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 123.897 0.879 . . . . 10.0 108.915 168.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.15 -37.57 53.68 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 116.208 1.929 . . . . 10.0 116.208 -169.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 tp -79.94 -36.64 35.94 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 120.576 1.535 . . . . 10.0 110.113 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.456 HD12 HD22 ' A' ' 16' ' ' LEU . 23.7 tp -61.42 -50.72 71.69 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 125.262 1.425 . . . . 10.0 111.656 174.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 -62.66 -34.0 76.2 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.932 1.242 . . . . 10.0 112.264 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 5.1 m -64.53 -21.89 66.81 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.502 1.521 . . . . 10.0 114.502 -177.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.624 HD22 HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -115.89 -15.92 11.19 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.986 1.106 . . . . 10.0 113.986 170.88 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -64.14 -41.16 97.29 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 107.513 -1.291 . . . . 10.0 107.513 167.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 10.4 p -69.54 126.04 92.36 Favored Pre-proline 0 CA--C 1.548 0.879 0 N-CA-C 104.4 -2.444 . . . . 10.0 104.4 167.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -60.24 147.93 91.76 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 N-CA-C 117.59 2.112 . . . . 10.0 117.59 -168.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 82.5 p -58.68 -10.93 2.6 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.9 2.48 . . . . 10.0 114.539 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.4 t -64.91 -67.62 1.0 Allowed Pre-proline 0 CA--C 1.544 0.736 0 CA-C-O 117.511 -1.233 . . . . 10.0 111.824 170.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.79 -26.19 27.68 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 CA-C-N 122.301 1.857 . . . . 10.0 112.634 169.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -84.73 17.92 2.58 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.634 1.346 . . . . 10.0 114.634 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -54.18 -38.72 65.9 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 128.555 2.742 . . . . 10.0 115.353 -173.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.51 ' NE2' ' H ' ' B' ' 73' ' ' GLN . 2.1 pm0 -86.69 -179.39 6.57 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.183 1.393 . . . . 10.0 114.059 -169.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -63.1 5.94 0.13 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.172 2.189 . . . . 10.0 115.322 -169.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -63.47 -23.75 67.53 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 121.103 1.774 . . . . 10.0 113.288 175.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.04 -52.09 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 107.758 -1.201 . . . . 10.0 107.758 169.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.402 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 0.5 OUTLIER -60.52 -40.06 90.05 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 126.104 1.762 . . . . 10.0 111.376 -174.43 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -62.95 -30.48 71.6 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.894 1.278 . . . . 10.0 113.25 176.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 32.9 mt -88.53 -45.49 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 119.634 1.106 . . . . 10.0 110.458 172.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 5.6 mt -39.75 -52.14 2.32 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 128.481 2.713 . . . . 10.0 111.951 176.065 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -57.46 -20.4 30.4 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.886 1.069 . . . . 10.0 113.886 -176.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 65.6 p -80.7 -6.44 58.43 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.63 1.345 . . . . 10.0 114.63 175.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -127.45 73.19 77.84 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 119.285 0.948 . . . . 10.0 111.254 -170.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -37.94 -60.34 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 125.143 3.896 . . . . 10.0 117.286 -171.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -60.49 -41.75 94.89 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.791 0.723 . . . . 10.0 112.091 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.65 -36.51 76.14 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 123.32 0.648 . . . . 10.0 111.724 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -48.85 80.04 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.035 0.834 . . . . 10.0 111.091 171.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.36 95.7 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.486 0.584 . . . . 10.0 112.224 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.47 87.48 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-O 118.621 -0.704 . . . . 10.0 112.588 176.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -58.72 -59.5 5.32 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 117.82 -1.086 . . . . 10.0 109.465 169.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 71.6 mt -49.9 -50.46 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 CA-C-N 119.239 0.927 . . . . 10.0 111.122 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.556 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.1 OUTLIER -60.98 -60.0 4.48 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.558 0.743 . . . . 10.0 112.238 -179.626 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -34.94 78.32 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-O 117.719 -1.134 . . . . 10.0 111.283 -175.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -56.36 -50.73 70.69 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 121.435 1.925 . . . . 10.0 111.128 170.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 3.2 m -57.71 -45.86 85.16 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 122.524 0.329 . . . . 10.0 111.662 177.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.1 83.34 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.252 1.021 . . . . 10.0 113.387 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -45.43 66.85 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.359 1.464 . . . . 10.0 110.055 174.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -65.93 -55.76 15.21 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 117.247 -1.358 . . . . 10.0 112.802 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 26.0 m . . . . . 0 N--CA 1.476 0.851 0 CA-C-N 121.154 1.797 . . . . 10.0 113.692 -173.306 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 . . . . . 0 N--CA 1.47 0.554 0 CA-C-O 118.439 -0.791 . . . . 10.0 111.409 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.565 ' HE ' HD23 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -57.85 -46.92 84.09 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 113.775 1.028 . . . . 10.0 113.775 -172.466 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.67 90.58 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.307 0.958 . . . . 10.0 111.744 174.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.2 mt -68.66 -41.87 78.69 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.063 1.345 . . . . 10.0 110.794 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.565 HD23 ' HE ' ' A' ' 7' ' ' ARG . 56.7 tp -59.83 -54.2 49.05 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 128.666 2.786 . . . . 10.0 110.208 170.185 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.421 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 78.4 m-20 -55.39 -51.01 68.23 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.624 1.17 . . . . 10.0 111.349 -178.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -66.9 -30.49 70.65 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-O 118.427 -0.796 . . . . 10.0 112.44 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mt -75.26 -45.42 40.11 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-O 117.644 -1.169 . . . . 10.0 112.546 177.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.421 ' CE1' ' HA ' ' A' ' 11' ' ' ASP . 2.1 p-80 -68.61 -26.9 65.59 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 121.279 1.854 . . . . 10.0 110.761 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.5 m -62.65 -56.09 20.91 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 117.952 -1.023 . . . . 10.0 109.595 169.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.505 HD22 HD12 ' B' ' 61' ' ' LEU . 6.0 tp -47.36 -52.82 15.43 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.775 1.17 . . . . 10.0 110.771 171.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.479 HD12 HD22 ' B' ' 64' ' ' LEU . 0.8 OUTLIER -67.34 -9.24 39.24 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.486 1.514 . . . . 10.0 114.972 -176.012 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -143.29 13.94 1.81 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 -170.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -49.39 -6.02 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.881 1 C-N-CA 133.143 4.577 . . . . 10.0 118.888 -169.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.273 73.9 p 112.04 -16.98 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.08 1 C-N-CA 133.517 4.727 . . . . 10.0 113.557 -177.855 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -60.9 165.69 3.91 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-O 122.644 1.212 . . . . 10.0 113.177 171.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -143.95 -9.8 0.69 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.535 2.334 . . . . 10.0 114.256 169.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.3 m -47.12 -53.37 13.06 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 128.295 2.638 . . . . 10.0 116.593 -168.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.75 -10.27 11.51 Favored Glycine 0 N--CA 1.471 1.017 0 CA-C-N 118.596 0.634 . . . . 10.0 113.187 168.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.2 mt -57.49 -31.23 65.79 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.802 1.241 . . . . 10.0 111.837 169.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -42.09 -52.98 4.12 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 127.821 2.448 . . . . 10.0 115.676 173.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -59.39 -46.6 88.24 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.416 1.007 . . . . 10.0 112.483 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.471 HD11 HG21 ' B' ' 76' ' ' VAL . 5.4 mt -67.42 -36.4 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 124.054 0.942 . . . . 10.0 109.399 -175.075 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -80.2 -32.76 38.54 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 117.199 -1.381 . . . . 10.0 113.178 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 -67.85 -35.44 78.57 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 120.378 1.445 . . . . 10.0 111.02 169.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.36 -19.9 57.45 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.272 1.029 . . . . 10.0 113.759 171.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.9 mt -113.49 11.65 18.45 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.676 1.59 . . . . 10.0 112.596 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.22 8.0 53.25 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 125.171 1.367 . . . . 10.0 116.166 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.0 mt -52.38 -46.61 94.6 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 125.887 1.675 . . . . 10.0 113.08 -171.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -59.48 -38.76 81.29 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 122.671 2.247 . . . . 10.0 113.765 173.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -46.29 71.83 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 118.499 0.591 . . . . 10.0 110.792 176.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.1 mt -54.34 -41.92 69.64 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.933 0.893 . . . . 10.0 111.914 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.455 HG21 ' CB ' ' B' ' 98' ' ' TYR . 79.7 t . . . . . 0 N--CA 1.477 0.896 0 C-N-CA 123.711 0.804 . . . . 10.0 111.143 172.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 CA--C 1.529 0.152 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.453 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.1 OUTLIER -89.93 -10.29 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.165 0.586 . . . . 10.0 112.028 -177.327 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 13.0 p -96.6 -3.12 0.1 Allowed Pre-proline 0 N--CA 1.474 0.76 0 N-CA-C 118.851 2.908 . . . . 10.0 118.851 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -64.79 -18.78 63.49 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 CA-C-N 125.73 3.082 . . . . 10.0 113.831 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.8 p -81.42 -53.8 6.0 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 125.038 1.335 . . . . 10.0 110.871 168.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.83 -32.7 53.79 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.889 1.275 . . . . 10.0 113.689 174.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 28.2 tp -58.1 -28.73 64.89 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 127.684 2.394 . . . . 10.0 112.388 172.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -90.25 -59.66 2.13 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.696 0.798 . . . . 10.0 109.44 169.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.81 -48.78 15.72 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 115.965 1.839 . . . . 10.0 115.965 -168.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.71 -39.67 64.15 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 120.937 -1.102 . . . . 10.0 109.304 -176.392 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.505 HD12 HD22 ' A' ' 16' ' ' LEU . 15.1 tp -54.98 -50.11 69.78 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 117.841 -1.076 . . . . 10.0 109.601 172.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -53.8 -51.87 62.13 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 119.94 1.245 . . . . 10.0 112.083 169.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' THR . . . . . 0.457 HG21 ' HA ' ' B' ' 76' ' ' VAL . 1.0 OUTLIER -57.87 -22.43 48.06 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 127.854 2.462 . . . . 10.0 115.858 -174.747 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.479 HD22 HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -113.26 -19.0 11.95 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.958 1.096 . . . . 10.0 113.958 169.518 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -57.04 -41.98 79.66 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 107.315 -1.365 . . . . 10.0 107.315 168.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 37.9 p -71.12 107.06 2.23 Favored Pre-proline 0 CA--C 1.544 0.713 0 N-CA-C 102.462 -3.162 . . . . 10.0 102.462 165.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.94 150.89 60.97 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 N-CA-C 117.331 2.012 . . . . 10.0 117.331 -167.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 52.7 p -49.93 -35.17 22.97 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 125.723 1.609 . . . . 10.0 114.045 -170.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.8 t -45.94 -65.85 0.6 Allowed Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 125.586 1.555 . . . . 10.0 114.477 -175.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.82 -21.9 15.8 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 122.169 1.912 . . . . 10.0 112.943 169.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -90.27 9.4 28.84 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 116.495 2.035 . . . . 10.0 116.495 -169.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -17.02 9.62 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 127.535 2.334 . . . . 10.0 116.06 -176.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -68.54 168.22 13.35 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.879 1.437 . . . . 10.0 114.879 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -7.15 0.17 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 126.009 1.724 . . . . 10.0 115.627 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' GLN . . . . . 0.403 ' NE2' HG23 ' B' ' 63' ' ' THR . 2.1 pp0? -53.74 -34.65 59.59 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 120.377 1.444 . . . . 10.0 113.763 169.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.471 HG21 HD11 ' A' ' 28' ' ' ILE . 2.5 t -69.44 -52.6 31.05 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.518 0 N-CA-C 108.383 -0.969 . . . . 10.0 108.383 174.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.92 -37.36 73.93 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.509 1.124 . . . . 10.0 111.173 -174.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -58.84 -39.4 81.15 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 126.253 1.821 . . . . 10.0 113.352 174.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.6 mt -88.64 -39.41 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 123.371 0.668 . . . . 10.0 109.567 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.0 mt -42.89 -54.46 4.17 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 127.83 2.452 . . . . 10.0 111.255 170.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -61.41 -12.54 14.78 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.427 1.269 . . . . 10.0 114.427 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 52.2 p -79.94 -16.6 54.93 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.841 1.423 . . . . 10.0 114.841 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -125.9 103.65 27.21 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 108.543 -0.91 . . . . 10.0 108.543 172.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_exo -59.6 -39.37 75.28 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.313 2.676 . . . . 10.0 113.201 -174.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.8 -42.83 85.3 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.106 0.563 . . . . 10.0 110.548 178.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.87 -42.93 99.94 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.267 1.427 . . . . 10.0 110.542 174.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -52.37 65.9 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.344 0.658 . . . . 10.0 111.355 175.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.88 -42.22 99.69 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 121.876 -0.515 . . . . 10.0 111.711 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.23 -38.73 92.09 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.191 0.905 . . . . 10.0 113.148 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.439 ' CD1' ' HG ' ' A' ' 17' ' ' LEU . 45.8 t80 -56.78 -56.78 17.12 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.4 1.08 . . . . 10.0 109.738 170.12 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 98.2 mt -52.95 -57.65 4.16 Favored 'Isoleucine or valine' 0 C--N 1.35 0.607 0 O-C-N 124.058 0.849 . . . . 10.0 108.902 178.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -60.56 2.99 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.666 1.186 . . . . 10.0 113.005 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.83 -26.84 64.43 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-O 117.124 -1.417 . . . . 10.0 112.017 -176.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 35.9 mmm-85 -64.59 -51.21 63.93 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 120.819 1.645 . . . . 10.0 111.438 169.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.48 -40.8 79.37 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.222 0.919 . . . . 10.0 110.957 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.16 85.3 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.067 0.766 . . . . 10.0 113.067 172.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -44.48 66.54 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.227 1.411 . . . . 10.0 110.349 174.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 98' ' ' TYR . . . . . 0.455 ' CB ' HG21 ' A' ' 38' ' ' VAL . 19.7 m-85 -57.29 -60.48 3.56 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 117.385 -1.293 . . . . 10.0 111.938 174.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 114.17 1.174 . . . . 10.0 114.17 -178.772 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 pm0 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 114.806 1.41 . . . . 10.0 114.806 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.31 -35.83 82.14 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 120.166 1.348 . . . . 10.0 112.396 176.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.92 -43.7 62.1 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.862 0.865 . . . . 10.0 110.963 175.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.49 -44.57 89.45 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.34 1.056 . . . . 10.0 110.091 174.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.26 -49.38 78.05 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 128.537 2.735 . . . . 10.0 110.987 173.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -57.81 -50.88 71.8 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 118.793 0.724 . . . . 10.0 112.886 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -64.88 -38.9 92.51 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 119.913 -0.715 . . . . 10.0 111.386 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.2 mt -70.63 -41.35 72.32 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-O 116.492 -1.718 . . . . 10.0 112.356 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -70.62 -34.17 71.82 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 122.2 2.273 . . . . 10.0 110.871 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.6 m -60.25 -55.78 29.53 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 125.039 1.336 . . . . 10.0 110.794 170.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' B' ' 61' ' ' LEU . 3.3 tp -51.71 -57.52 9.0 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 118.554 0.616 . . . . 10.0 110.685 173.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.484 ' HA ' HD22 ' B' ' 64' ' ' LEU . 7.6 tp -69.35 -9.06 51.67 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 113.299 0.851 . . . . 10.0 113.299 -169.058 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -134.24 5.97 3.56 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.077 1.51 . . . . 10.0 115.077 -172.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -40.1 -3.61 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.933 1 C-N-CA 135.382 5.473 . . . . 10.0 120.668 -170.011 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.25 81.3 p 109.95 -17.58 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.166 1 C-N-CA 133.33 4.652 . . . . 10.0 114.287 -177.793 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -62.32 163.2 8.77 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 123.47 1.605 . . . . 10.0 112.954 171.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.43 -5.24 0.66 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.41 1.884 . . . . 10.0 113.921 169.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.4 m -43.32 -58.98 2.29 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.931 2.092 . . . . 10.0 116.551 -168.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.95 -12.69 12.0 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-N 118.702 0.683 . . . . 10.0 112.105 168.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.9 mt -55.22 -29.44 57.98 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-O 117.847 -1.073 . . . . 10.0 110.89 168.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.98 -38.1 16.11 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.741 1.617 . . . . 10.0 114.582 174.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -65.44 -53.28 45.09 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.811 1.244 . . . . 10.0 111.968 169.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.4 mm -60.19 -34.83 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 124.797 1.239 . . . . 10.0 110.354 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.5 ' HA ' HD12 ' A' ' 34' ' ' ILE . 78.4 m-20 -64.04 -57.62 9.13 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.603 1.961 . . . . 10.0 110.198 175.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.4 ptt-85 -62.19 -31.52 72.06 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 113.429 0.9 . . . . 10.0 113.429 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.5 -20.04 58.85 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.163 0.985 . . . . 10.0 113.363 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.0 mt -114.14 14.12 18.17 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.4 1.48 . . . . 10.0 112.246 172.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.3 8.07 53.89 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 116.011 1.165 . . . . 10.0 116.011 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 29' ' ' ASP 0.297 51.3 mt -47.14 -50.68 45.68 Favored Pre-proline 0 N--CA 1.475 0.813 0 CA-C-O 116.985 -1.483 . . . . 10.0 113.407 -173.326 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -61.4 -29.56 85.69 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 123.382 2.722 . . . . 10.0 115.179 175.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -72.71 -49.8 28.92 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.927 0.785 . . . . 10.0 110.308 172.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.1 mt -49.47 -48.35 47.79 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.765 1.226 . . . . 10.0 110.471 172.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.478 HG21 ' CB ' ' B' ' 98' ' ' TYR . 24.8 t . . . . . 0 N--CA 1.469 0.498 0 C-N-CA 126.595 1.958 . . . . 10.0 112.886 170.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 N--CA 1.467 0.41 0 N-CA-C 108.576 -0.898 . . . . 10.0 108.576 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.774 HD13 ' H ' ' B' ' 52' ' ' ILE . 0.2 OUTLIER -89.79 -5.22 10.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 124.872 1.269 . . . . 10.0 112.314 -172.604 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 50.7 p -124.61 5.99 0.06 OUTLIER Pre-proline 0 CA--C 1.546 0.807 0 N-CA-C 118.569 2.803 . . . . 10.0 118.569 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -67.04 -19.57 51.45 Favored 'Trans proline' 0 C--N 1.356 0.947 0 CA-C-N 124.838 2.764 . . . . 10.0 112.677 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 11.9 p -74.78 -58.4 3.31 Favored 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 125.186 1.394 . . . . 10.0 109.854 168.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.423 ' HA ' ' H ' ' B' ' 60' ' ' LEU . . . -54.12 -29.07 43.54 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.859 1.263 . . . . 10.0 113.847 175.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 20.4 tp -59.71 -31.57 69.71 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 127.021 2.129 . . . . 10.0 112.326 171.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -90.91 -39.49 12.25 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.581 1.152 . . . . 10.0 111.355 171.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.24 -59.35 1.85 Allowed 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 116.751 2.13 . . . . 10.0 116.751 -170.029 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.423 ' H ' ' HA ' ' B' ' 56' ' ' ALA . 3.5 tp -71.03 -32.06 68.71 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 121.693 0.758 . . . . 10.0 110.063 -174.058 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.42 ' HA ' HD22 ' A' ' 16' ' ' LEU . 36.7 tp -63.9 -54.48 34.16 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 126.022 1.729 . . . . 10.0 111.251 173.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 29.9 ptt-85 -63.77 -35.88 82.04 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 120.124 1.329 . . . . 10.0 111.007 175.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 19.4 m -54.71 -48.41 72.52 Favored 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 126.097 1.759 . . . . 10.0 112.605 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.484 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -93.46 -11.66 31.56 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 114.873 1.434 . . . . 10.0 114.873 174.922 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -38.53 82.75 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.063 -1.023 . . . . 10.0 109.182 168.036 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 3.8 p -75.76 114.43 36.57 Favored Pre-proline 0 CA--C 1.546 0.798 0 N-CA-C 102.709 -3.071 . . . . 10.0 102.709 166.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.66 159.77 27.09 Favored 'Trans proline' 0 C--N 1.354 0.825 0 N-CA-C 117.074 1.913 . . . . 10.0 117.074 -168.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 21.2 p -59.57 -23.6 63.04 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 113.86 -1.518 . . . . 10.0 114.414 -169.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.7 t -51.86 -66.51 0.71 Allowed Pre-proline 0 CA--C 1.549 0.927 0 CA-C-O 117.63 -1.176 . . . . 10.0 113.247 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.83 -27.81 25.67 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.197 1.931 . . . . 10.0 112.596 169.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -82.0 16.78 1.77 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.845 1.658 . . . . 10.0 114.847 -176.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -61.4 -21.79 64.4 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 128.547 2.739 . . . . 10.0 113.084 172.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -62.83 172.65 1.61 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 123.686 1.708 . . . . 10.0 112.857 177.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -8.96 19.83 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.16 1.384 . . . . 10.0 113.647 -172.312 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -66.1 -22.75 66.42 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.244 1.384 . . . . 10.0 113.791 -171.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.57 -53.33 22.91 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.249 0 CA-C-N 119.89 1.223 . . . . 10.0 108.218 169.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -58.73 -41.33 86.19 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.115 1.766 . . . . 10.0 110.503 -175.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -68.5 -26.89 65.69 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.55 1.54 . . . . 10.0 112.513 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 28.4 mt -84.66 -47.0 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 119.962 1.256 . . . . 10.0 108.404 169.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 mt -39.31 -56.24 1.58 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 127.82 2.448 . . . . 10.0 113.717 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . 0.263 0.0 OUTLIER -65.39 -6.44 10.24 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 115.431 1.641 . . . . 10.0 115.431 -177.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 58.1 p -87.0 -6.23 58.82 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.969 1.259 . . . . 10.0 114.078 170.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.02 64.87 67.26 Favored Pre-proline 0 N--CA 1.47 0.535 0 N-CA-C 108.225 -1.028 . . . . 10.0 108.225 -172.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -47.01 -47.67 16.15 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 124.749 3.633 . . . . 10.0 116.35 -168.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -67.14 -37.73 84.32 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 119.555 1.07 . . . . 10.0 113.158 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.91 -37.48 84.44 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.72 -0.612 . . . . 10.0 110.163 171.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 5.0 ttt -60.71 -48.14 83.1 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.03 0.932 . . . . 10.0 110.791 175.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.25 97.63 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.141 0.577 . . . . 10.0 112.331 171.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.68 86.46 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.12 0.873 . . . . 10.0 113.197 175.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -59.5 -59.93 4.67 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.084 1.354 . . . . 10.0 108.816 169.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 91.0 mt -47.85 -46.9 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-N 119.632 1.106 . . . . 10.0 111.507 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -61.8 -60.04 4.25 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 113.838 1.051 . . . . 10.0 113.838 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.68 -30.95 66.26 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 120.149 1.341 . . . . 10.0 111.606 -174.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -60.73 -56.88 15.98 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.557 1.526 . . . . 10.0 110.797 170.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 23.5 p -53.68 -45.69 70.41 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 118.461 -0.78 . . . . 10.0 111.789 174.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.3 85.96 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.964 0.906 . . . . 10.0 113.334 175.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.36 -53.9 25.62 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.598 1.559 . . . . 10.0 109.376 172.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 98' ' ' TYR . . . . . 0.478 ' CB ' HG21 ' A' ' 38' ' ' VAL . 27.0 m-85 -61.0 -57.77 11.25 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 116.188 -1.863 . . . . 10.0 111.511 178.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.48 1.051 0 CA-C-N 122.499 2.409 . . . . 10.0 113.969 -172.472 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 . . . . . 0 N--CA 1.467 0.38 0 N-CA-C 112.362 0.504 . . . . 10.0 112.362 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -38.55 82.43 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 112.846 0.684 . . . . 10.0 112.846 177.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.92 -32.96 65.67 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.955 0.902 . . . . 10.0 112.129 170.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.97 -45.97 83.46 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.46 1.027 . . . . 10.0 110.491 172.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.2 tp -55.1 -51.44 66.39 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.881 1.673 . . . . 10.0 110.316 173.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.424 ' HA ' ' CD2' ' A' ' 14' ' ' HIS 0.255 72.5 m-20 -53.58 -57.24 11.44 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 170.614 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.37 -26.41 67.26 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 119.498 1.045 . . . . 10.0 112.78 -177.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -72.34 -52.58 15.53 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 117.367 -1.301 . . . . 10.0 110.67 172.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 11' ' ' ASP . 7.3 p80 -66.26 -27.42 67.93 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 120.737 1.608 . . . . 10.0 112.141 -178.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.4 m -64.63 -53.77 42.39 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.135 1.374 . . . . 10.0 110.887 169.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 tp -49.34 -53.26 23.12 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 120.042 1.292 . . . . 10.0 110.004 171.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.634 HD12 HD22 ' B' ' 64' ' ' LEU . 2.3 tp -65.59 -14.71 61.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.477 1.511 . . . . 10.0 114.142 -174.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -135.98 21.67 3.27 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.12 0.968 . . . . 10.0 112.506 -171.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -61.4 -12.75 15.64 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 129.628 3.171 . . . . 10.0 115.936 -169.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.261 41.3 p 121.09 -19.45 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.871 1 C-N-CA 133.755 4.822 . . . . 10.0 112.71 -178.816 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -55.26 153.67 6.77 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 120.526 1.512 . . . . 10.0 112.949 174.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -147.82 -11.48 0.39 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.318 2.647 . . . . 10.0 114.826 -178.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.3 t -52.66 -41.33 63.71 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-N 121.747 2.067 . . . . 10.0 115.532 -168.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.9 -17.99 3.65 Favored Glycine 0 C--N 1.322 -0.234 0 O-C-N 124.643 1.214 . . . . 10.0 113.116 170.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.497 HD11 HD21 ' B' ' 64' ' ' LEU . 4.6 mt -57.25 -22.27 40.02 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 117.551 -1.214 . . . . 10.0 111.086 170.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -48.9 -41.05 32.24 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.919 1.236 . . . . 10.0 113.433 169.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -63.4 -51.41 65.94 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.178 0.991 . . . . 10.0 110.558 177.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.5 mm -67.66 -31.08 50.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 123.936 0.894 . . . . 10.0 110.102 -175.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -69.7 -53.97 16.0 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.173 1.389 . . . . 10.0 109.872 173.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.7 ptt85 -68.18 -32.69 73.11 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 118.257 -0.878 . . . . 10.0 112.943 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.2 -19.96 49.82 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.268 1.427 . . . . 10.0 112.398 170.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.4 mt -115.32 12.32 16.37 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.106 1.762 . . . . 10.0 111.611 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.05 14.18 51.88 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.084 1.326 . . . . 10.0 115.691 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.1 mt -52.93 -43.3 93.8 Favored Pre-proline 0 CA--C 1.549 0.919 0 CA-C-N 119.375 1.588 . . . . 10.0 114.796 -169.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -58.91 -26.23 80.23 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.237 1.958 . . . . 10.0 115.261 172.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -83.98 -35.95 23.55 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 118.277 -0.868 . . . . 10.0 110.825 169.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 73.0 mt -57.12 -27.77 62.11 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.786 1.175 . . . . 10.0 112.947 170.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.1 t . . . . . 0 N--CA 1.474 0.728 0 C-N-CA 124.335 1.054 . . . . 10.0 110.296 169.212 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.235 0.298 0 N-CA-C 104.914 -2.254 . . . . 10.0 104.914 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -8.38 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 125.265 1.426 . . . . 10.0 112.869 -174.317 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 81.4 p -109.9 -6.12 0.11 Allowed Pre-proline 0 C--O 1.218 -0.581 0 N-CA-C 118.929 2.937 . . . . 10.0 118.929 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -66.28 -19.6 56.0 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 CA-C-N 125.135 2.87 . . . . 10.0 114.077 -172.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 47.0 p -86.57 -49.14 7.76 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.435 1.094 . . . . 10.0 110.362 169.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.23 -29.27 57.69 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.474 1.509 . . . . 10.0 112.79 174.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 53.6 tp -57.32 -29.83 64.26 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 128.974 2.91 . . . . 10.0 112.543 170.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -92.26 -60.41 1.85 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.841 1.256 . . . . 10.0 109.452 168.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.2 -51.73 19.8 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 116.77 2.137 . . . . 10.0 116.77 -168.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.1 tp -77.62 -35.18 53.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 118.844 0.747 . . . . 10.0 110.149 -176.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.47 -52.92 63.54 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 116.828 -1.558 . . . . 10.0 111.197 170.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -64.04 -33.89 76.77 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 121.753 2.07 . . . . 10.0 112.516 176.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 20.8 m -65.16 -21.01 66.72 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.287 1.835 . . . . 10.0 114.555 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.634 HD22 HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -118.06 -13.48 9.98 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 114.271 1.212 . . . . 10.0 114.271 169.93 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -29.15 69.62 Favored 'General case' 0 C--N 1.345 0.407 0 N-CA-C 108.465 -0.939 . . . . 10.0 108.465 167.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 5.4 p -89.85 111.57 47.07 Favored Pre-proline 0 CA--C 1.552 1.032 0 N-CA-C 101.886 -3.376 . . . . 10.0 101.886 165.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -60.46 162.37 17.89 Favored 'Trans proline' 0 C--N 1.351 0.678 0 N-CA-C 116.285 1.609 . . . . 10.0 116.285 -168.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 49.2 p -63.76 -16.05 60.19 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 117.847 -1.073 . . . . 10.0 113.719 -173.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -56.39 -59.82 10.94 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 120.088 1.313 . . . . 10.0 112.379 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -72.81 -35.13 6.0 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 CA-C-N 120.948 1.374 . . . . 10.0 111.256 168.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -81.93 36.43 0.45 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.578 1.551 . . . . 10.0 113.214 -176.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -78.54 -33.44 47.85 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 125.44 1.496 . . . . 10.0 114.568 -169.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.467 ' NE2' ' H ' ' B' ' 73' ' ' GLN . 2.2 pm0 -68.01 167.12 14.48 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 122.445 1.117 . . . . 10.0 111.381 177.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -65.21 18.52 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 115.604 1.705 . . . . 10.0 115.604 -173.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.8 -24.95 68.0 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.945 1.248 . . . . 10.0 112.748 170.605 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.79 -52.63 38.01 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 N-CA-C 107.049 -1.463 . . . . 10.0 107.049 169.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.55 -39.57 84.42 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.501 1.52 . . . . 10.0 111.776 -173.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -59.87 -35.27 74.46 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.754 1.222 . . . . 10.0 113.049 174.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 26.5 mt -87.47 -44.02 15.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-N 119.07 0.85 . . . . 10.0 109.971 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.2 mt -39.98 -54.7 2.17 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 128.448 2.699 . . . . 10.0 111.855 172.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -57.62 -18.23 18.91 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.128 1.158 . . . . 10.0 114.128 -174.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 82.4 p -79.82 -14.27 58.81 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 114.764 1.394 . . . . 10.0 114.764 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -124.15 96.37 42.23 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -55.26 -49.27 16.89 Favored 'Trans proline' 0 C--O 1.24 0.581 0 C-N-CA 124.136 3.224 . . . . 10.0 112.793 -173.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -60.29 -48.9 79.77 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.25 1.82 . . . . 10.0 111.369 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.32 -37.79 88.65 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 124.254 1.021 . . . . 10.0 110.611 176.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -52.23 66.27 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.773 1.17 . . . . 10.0 111.464 173.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.12 -44.66 97.0 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.506 0.594 . . . . 10.0 111.839 174.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.05 -39.08 88.49 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.411 1.084 . . . . 10.0 111.874 177.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -59.23 -60.3 4.08 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 124.995 1.318 . . . . 10.0 108.731 169.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 86.6 mt -49.02 -47.99 16.77 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 CA-C-N 119.877 1.217 . . . . 10.0 110.746 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -63.37 -60.61 3.16 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.372 1.069 . . . . 10.0 112.363 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.72 -25.18 61.96 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 117.288 -1.339 . . . . 10.0 111.52 -174.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -63.54 -48.74 76.26 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.397 1.453 . . . . 10.0 110.089 169.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.4 m -58.11 -41.96 84.68 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 122.05 -0.406 . . . . 10.0 111.186 175.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.73 -46.01 90.44 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.656 0.782 . . . . 10.0 112.36 170.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -41.71 64.95 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.8 1.64 . . . . 10.0 111.043 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -63.92 -60.32 3.41 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 118.378 -0.82 . . . . 10.0 111.168 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.47 0.553 0 CA-C-N 120.313 1.415 . . . . 10.0 114.185 -177.303 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.426 ' HA ' HD12 ' A' ' 9' ' ' LEU . 17.4 pm0 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 116.242 -1.837 . . . . 10.0 114.863 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -62.88 -40.59 97.99 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 121.508 1.958 . . . . 10.0 111.719 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.91 -41.36 78.3 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.593 0.633 . . . . 10.0 111.975 175.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 6' ' ' GLU . 10.6 mt -62.01 -44.41 96.78 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 124.306 1.042 . . . . 10.0 110.797 177.214 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.06 -50.74 72.94 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 129.069 2.948 . . . . 10.0 110.378 173.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -57.2 -53.56 56.72 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 113.276 0.843 . . . . 10.0 113.276 174.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -65.82 -27.42 68.24 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 119.261 0.937 . . . . 10.0 112.866 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -79.42 -42.4 25.5 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.268 0.94 . . . . 10.0 111.683 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -69.92 -29.77 67.01 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.617 1.553 . . . . 10.0 111.779 174.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.0 m -69.13 -41.98 76.64 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 117.926 -1.035 . . . . 10.0 111.15 169.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.68 -55.03 21.85 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 120.117 1.326 . . . . 10.0 110.45 170.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.51 ' HA ' HD22 ' B' ' 64' ' ' LEU . 2.4 mm? -63.39 -19.36 64.6 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 114.46 1.281 . . . . 10.0 114.46 177.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.8 t -108.17 5.25 25.67 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.072 1.749 . . . . 10.0 115.643 -174.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -48.81 -5.81 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 131.004 3.721 . . . . 10.0 118.866 -169.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.6 p 116.84 -18.82 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.074 1 C-N-CA 135.243 5.417 . . . . 10.0 112.695 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -63.72 156.13 27.99 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-O 123.505 1.621 . . . . 10.0 113.217 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.18 -9.28 0.68 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 128.17 2.588 . . . . 10.0 112.793 169.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.1 p -48.76 -59.96 3.13 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.227 2.211 . . . . 10.0 113.851 -169.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.88 -11.02 29.27 Favored Glycine 0 N--CA 1.474 1.197 0 C-N-CA 124.25 0.929 . . . . 10.0 114.331 171.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.667 HD11 HD21 ' B' ' 64' ' ' LEU . 8.0 mt -65.79 -25.77 67.39 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 117.759 -1.115 . . . . 10.0 111.889 169.003 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -50.03 -41.52 47.6 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 120.079 1.309 . . . . 10.0 112.447 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -59.51 -50.53 73.56 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.482 1.113 . . . . 10.0 111.238 175.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.1 mm -66.9 -35.2 74.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 124.449 1.1 . . . . 10.0 110.062 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -68.84 -49.68 56.37 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.339 1.456 . . . . 10.0 110.013 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 ptt85 -70.38 -35.87 73.76 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 117.982 -1.008 . . . . 10.0 112.06 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.64 -20.49 60.95 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.708 1.003 . . . . 10.0 113.708 172.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.2 mt -115.11 16.96 16.96 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.51 1.524 . . . . 10.0 113.372 175.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.09 15.65 63.23 Favored Glycine 0 C--N 1.345 1.051 0 C-N-CA 123.96 0.79 . . . . 10.0 114.636 171.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.5 mt -59.25 -41.76 89.34 Favored Pre-proline 0 CA--C 1.554 1.101 0 O-C-N 121.375 -1.073 . . . . 10.0 112.915 -171.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -62.88 -27.64 75.0 Favored 'Trans proline' 0 CA--C 1.545 1.062 0 C-N-CA 122.534 2.156 . . . . 10.0 114.757 169.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -74.55 -35.64 63.09 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 120.516 -1.365 . . . . 10.0 110.719 171.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.51 -33.18 75.02 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.998 -1.064 . . . . 10.0 111.629 169.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 169.389 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 36.8 m . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 104.04 -2.578 . . . . 10.0 104.04 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.447 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.3 OUTLIER -89.6 -20.3 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 CA-C-N 118.607 0.64 . . . . 10.0 110.681 -169.749 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 52.1 p -98.15 1.35 0.08 OUTLIER Pre-proline 0 C--O 1.222 -0.385 0 N-CA-C 119.552 3.168 . . . . 10.0 119.552 -174.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -64.13 -19.25 65.88 Favored 'Trans proline' 0 CA--C 1.549 1.274 0 CA-C-N 126.894 3.498 . . . . 10.0 113.456 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.7 p -81.07 -55.49 4.73 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.843 1.257 . . . . 10.0 110.837 169.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.42 -28.18 66.7 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 118.633 0.651 . . . . 10.0 112.314 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 23.8 tp -57.73 -25.1 59.93 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 127.685 2.394 . . . . 10.0 112.187 170.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -96.36 -58.98 1.93 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.069 0.948 . . . . 10.0 109.77 168.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.81 -38.62 37.77 Favored 'General case' 0 C--N 1.343 0.284 0 N-CA-C 116.853 2.168 . . . . 10.0 116.853 -168.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.0 tp -78.38 -33.99 48.55 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 120.607 1.548 . . . . 10.0 109.925 174.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.67 -55.65 30.76 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-O 117.519 -1.229 . . . . 10.0 111.077 174.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 40.6 ptt85 -57.83 -33.53 68.71 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.5 1.5 . . . . 10.0 112.232 173.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 15.4 m -66.97 -22.82 65.91 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.367 1.467 . . . . 10.0 114.053 -177.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.667 HD21 HD11 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -115.51 -13.46 11.57 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.236 1.198 . . . . 10.0 114.236 169.693 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -65.47 -39.9 92.53 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 107.397 -1.334 . . . . 10.0 107.397 167.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 13.6 p -71.45 120.9 82.54 Favored Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 104.752 -2.314 . . . . 10.0 104.752 167.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -62.93 156.82 51.94 Favored 'Trans proline' 0 C--N 1.354 0.826 0 N-CA-C 116.584 1.725 . . . . 10.0 116.584 -168.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 4.4 m -59.9 3.2 0.06 Allowed 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 129.853 3.261 . . . . 10.0 115.926 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.9 t -77.04 -69.68 0.22 Allowed Pre-proline 0 N--CA 1.468 0.442 0 CA-C-O 117.073 -1.442 . . . . 10.0 110.197 171.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -67.61 -24.77 41.32 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 CA-C-N 122.614 1.969 . . . . 10.0 113.107 169.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -89.54 8.84 29.11 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.389 1.255 . . . . 10.0 114.389 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -58.61 5.25 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 118.003 2.594 . . . . 10.0 118.003 -173.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -139.03 -171.85 3.19 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 123.633 1.682 . . . . 10.0 115.285 -169.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -51.77 -7.87 0.06 Allowed 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 118.437 2.754 . . . . 10.0 118.437 -169.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -66.4 -25.23 66.67 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 121.552 1.978 . . . . 10.0 113.302 171.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.72 -50.41 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 107.618 -1.252 . . . . 10.0 107.618 169.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.98 -38.02 89.45 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.277 1.031 . . . . 10.0 111.612 -173.14 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -59.03 -43.76 91.67 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 117.725 -1.131 . . . . 10.0 112.729 172.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 33.7 mt -78.29 -43.08 27.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 120.111 1.323 . . . . 10.0 110.006 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.2 mt -40.58 -59.59 1.32 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.637 1.975 . . . . 10.0 112.399 171.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.01 -8.73 17.27 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.58 1.326 . . . . 10.0 114.58 -176.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 52.7 p -88.5 -4.23 58.65 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.951 1.251 . . . . 10.0 114.259 173.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -132.74 73.44 76.14 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 106.479 -1.675 . . . . 10.0 106.479 -178.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -53.84 -33.66 72.17 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 123.307 2.672 . . . . 10.0 114.821 -168.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -68.35 -43.83 76.57 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.619 -0.676 . . . . 10.0 112.183 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.66 -36.85 85.59 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.888 0.875 . . . . 10.0 110.675 169.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 1.7 ttt -61.57 -48.27 81.74 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.052 0.842 . . . . 10.0 111.894 177.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.72 -46.54 90.01 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.699 0.8 . . . . 10.0 111.496 172.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.44 97.25 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.069 -0.967 . . . . 10.0 112.158 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -56.03 -56.79 16.55 Favored 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 125.073 1.349 . . . . 10.0 110.023 169.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 81.6 mt -50.78 -54.88 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.259 0.624 . . . . 10.0 110.529 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -64.32 -56.56 13.67 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.82 0.674 . . . . 10.0 112.82 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -68.06 -33.26 74.22 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 117.43 -1.271 . . . . 10.0 112.307 -176.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' ARG . . . . . 0.404 ' NH1' HD13 ' A' ' 25' ' ' LEU . 26.8 mmm180 -61.02 -41.38 96.44 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 121.559 1.982 . . . . 10.0 109.443 170.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 4.2 m -60.34 -46.67 89.1 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.139 0.576 . . . . 10.0 111.068 174.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.71 -49.22 73.62 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.697 1.199 . . . . 10.0 111.986 171.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -42.89 66.68 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.87 1.668 . . . . 10.0 111.753 174.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -61.77 -61.06 2.77 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 118.995 0.816 . . . . 10.0 111.071 173.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 21.9 m . . . . . 0 N--CA 1.474 0.774 0 CA-C-N 119.544 1.065 . . . . 10.0 113.072 -175.712 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.423 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 28.4 tt0 . . . . . 0 N--CA 1.445 -0.698 0 CA-C-O 118.719 -0.658 . . . . 10.0 111.935 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -62.58 -42.25 99.44 Favored 'General case' 0 C--O 1.228 -0.056 0 CA-C-N 118.428 0.558 . . . . 10.0 110.179 -176.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.12 -43.35 92.26 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.401 -0.809 . . . . 10.0 112.846 176.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.427 HD22 ' C ' ' A' ' 9' ' ' LEU 0.32 0.0 OUTLIER -76.88 -30.77 56.36 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.623 1.102 . . . . 10.0 111.816 179.612 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.9 tp -60.78 -48.51 81.48 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.242 1.817 . . . . 10.0 110.384 169.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -57.75 -54.35 47.86 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 113.501 0.926 . . . . 10.0 113.501 169.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -20.97 66.54 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.445 1.021 . . . . 10.0 113.056 -179.153 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.46 -37.67 18.07 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-O 116.264 -1.827 . . . . 10.0 113.265 171.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . 0.274 8.4 p80 -69.97 -21.36 63.25 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 122.797 2.544 . . . . 10.0 111.45 171.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.2 m -69.02 -20.34 64.13 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.42 1.088 . . . . 10.0 112.007 168.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 tp -90.96 -60.42 1.91 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.256 1.023 . . . . 10.0 110.84 170.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.568 HD12 HD22 ' B' ' 64' ' ' LEU . 8.5 tp -69.24 -6.69 30.81 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 129.018 2.927 . . . . 10.0 112.208 -171.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 61.7 m -152.05 35.73 0.54 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.802 1.641 . . . . 10.0 109.946 170.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -46.32 -54.51 8.82 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.045 1.738 . . . . 10.0 110.844 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.9 p -157.19 -69.62 0.1 Allowed 'General case' 0 C--O 1.214 -0.772 0 C-N-CA 130.945 3.698 . . . . 10.0 106.483 171.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -148.88 -172.9 4.22 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.955 1.702 . . . . 10.0 110.604 171.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.61 155.63 22.11 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 129.136 2.974 . . . . 10.0 105.626 168.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.2 p -54.04 -54.1 43.84 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.229 1.411 . . . . 10.0 112.111 -175.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.37 -22.18 76.25 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 119.314 -0.715 . . . . 10.0 113.496 174.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp -56.34 -32.62 64.87 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 115.278 1.585 . . . . 10.0 115.278 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -54.57 -59.09 5.17 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.71 1.204 . . . . 10.0 112.019 170.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -61.21 -49.76 75.85 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 128.273 2.629 . . . . 10.0 110.838 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.2 mt -56.23 -41.26 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.662 1.185 . . . . 10.0 110.689 174.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.401 ' CG ' ' HE ' ' B' ' 94' ' ' ARG . 88.4 m-20 -66.5 -51.44 56.69 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 119.679 1.127 . . . . 10.0 110.395 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 -66.45 -28.48 68.63 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.896 -1.127 . . . . 10.0 112.435 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.86 -20.17 63.42 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.708 1.14 . . . . 10.0 112.578 169.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.5 mt -116.6 14.09 15.39 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 127.325 2.25 . . . . 10.0 113.295 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 57.79 24.47 53.66 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.765 1.174 . . . . 10.0 115.106 174.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.6 mm -52.85 -42.63 90.77 Favored Pre-proline 0 CA--C 1.556 1.188 0 CA-C-N 118.96 1.38 . . . . 10.0 112.742 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.17 -40.47 84.63 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.56 2.173 . . . . 10.0 115.323 175.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -68.36 -45.9 71.56 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.304 -0.872 . . . . 10.0 110.914 173.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.53 -30.86 70.01 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.305 1.442 . . . . 10.0 112.473 177.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.481 1.107 0 C-N-CA 126.114 1.766 . . . . 10.0 110.308 169.187 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.224 -0.283 0 N-CA-C 106.991 -1.485 . . . . 10.0 106.991 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.767 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.1 OUTLIER -89.72 -12.12 9.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 124.46 1.104 . . . . 10.0 111.351 -168.789 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 31.9 p -105.86 5.07 0.08 OUTLIER Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 118.555 2.798 . . . . 10.0 118.555 -172.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -65.65 -19.49 59.88 Favored 'Trans proline' 0 CA--C 1.547 1.162 0 CA-C-N 125.96 3.164 . . . . 10.0 112.997 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 15.4 p -79.43 -52.56 7.9 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.664 1.586 . . . . 10.0 111.229 169.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.17 -29.96 61.57 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.342 1.457 . . . . 10.0 113.525 173.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.0 tp -54.53 -29.11 49.7 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.585 1.554 . . . . 10.0 112.26 169.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -92.17 -60.24 1.9 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.53 1.132 . . . . 10.0 109.374 169.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.44 -47.2 28.31 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 115.696 1.739 . . . . 10.0 115.696 -169.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 tp -70.64 -36.21 73.3 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.804 1.184 . . . . 10.0 110.575 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 tp -54.25 -59.02 5.23 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.376 1.07 . . . . 10.0 109.714 169.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -50.08 -47.57 53.61 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 126.228 1.811 . . . . 10.0 112.094 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' THR . . . . . 0.413 ' CG2' ' HA ' ' B' ' 76' ' ' VAL . 1.1 m -60.75 -19.92 60.15 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 127.076 2.15 . . . . 10.0 115.303 -176.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.568 HD22 HD12 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -117.01 -18.34 10.13 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 124.304 1.003 . . . . 10.0 113.468 169.81 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -29.76 67.71 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 117.691 -1.147 . . . . 10.0 112.635 170.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 12.7 p -87.75 148.07 42.85 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 124.767 1.227 . . . . 10.0 108.068 168.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -62.64 122.83 11.33 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.332 2.021 . . . . 10.0 115.6 -168.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 43.8 p -56.88 16.71 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 130.542 3.537 . . . . 10.0 116.075 173.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 14.7 t -86.31 -74.12 0.06 OUTLIER Pre-proline 0 CA--C 1.543 0.681 0 C-N-CA 126.42 1.888 . . . . 10.0 108.421 169.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.49 -27.64 22.73 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 CA-C-N 121.721 1.65 . . . . 10.0 111.149 169.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -80.09 57.8 2.79 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 125.895 1.678 . . . . 10.0 111.544 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -174.92 0.08 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 130.104 3.362 . . . . 10.0 114.298 -174.425 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -53.09 -59.64 4.29 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 125.913 1.685 . . . . 10.0 113.852 -174.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -53.63 -48.0 69.74 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 118.676 -0.678 . . . . 10.0 112.746 -169.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -67.13 -28.12 67.88 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 117.185 -1.388 . . . . 10.0 113.621 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.413 ' HA ' ' CG2' ' B' ' 63' ' ' THR . 2.5 t -72.83 -52.41 22.8 Favored 'Isoleucine or valine' 0 C--N 1.344 0.348 0 C-N-CA 118.446 -1.302 . . . . 10.0 107.933 170.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -37.4 80.43 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.737 0.815 . . . . 10.0 111.705 -172.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -59.17 -36.98 76.27 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.19 1.796 . . . . 10.0 113.712 171.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 17.2 mt -90.22 -35.15 7.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 119.855 1.207 . . . . 10.0 109.934 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 6.8 mt -46.89 -57.05 5.33 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.902 2.081 . . . . 10.0 110.334 168.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -8.09 17.98 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.344 1.238 . . . . 10.0 114.344 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 28.5 p -83.21 -10.84 58.36 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.784 1.401 . . . . 10.0 114.784 170.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -137.01 74.27 50.58 Favored Pre-proline 0 C--N 1.324 -0.518 0 C-N-CA 123.371 0.668 . . . . 10.0 111.562 174.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -44.37 -33.68 6.53 Favored 'Trans proline' 0 CA--C 1.542 0.902 1 C-N-CA 126.281 4.654 . . . . 10.0 116.071 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -69.63 -42.96 73.6 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 120.996 -1.065 . . . . 10.0 112.852 173.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tt -64.53 -39.85 94.53 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.711 0.805 . . . . 10.0 110.148 169.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -48.1 80.95 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.294 1.437 . . . . 10.0 112.912 175.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.64 -46.82 88.87 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.253 -0.88 . . . . 10.0 111.779 171.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.46 79.19 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.998 0.74 . . . . 10.0 112.998 175.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -58.74 -60.6 3.57 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 125.185 1.394 . . . . 10.0 110.302 170.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 82.5 mt -50.66 -46.84 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 118.769 0.713 . . . . 10.0 110.926 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -58.06 -60.61 3.47 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.056 1.742 . . . . 10.0 112.546 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -35.22 77.74 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.627 1.103 . . . . 10.0 110.98 -176.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 94' ' ' ARG . . . . . 0.401 ' HE ' ' CG ' ' A' ' 29' ' ' ASP . 25.1 mmm180 -55.94 -49.23 74.07 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.454 -1.404 . . . . 10.0 110.802 169.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.0 m -63.49 -45.11 92.21 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 119.111 -0.471 . . . . 10.0 111.622 176.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.52 87.13 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.024 0.93 . . . . 10.0 112.593 176.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -48.46 -57.64 5.82 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 124.942 1.297 . . . . 10.0 109.494 169.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -56.74 -59.94 4.29 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 118.348 -0.834 . . . . 10.0 112.581 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.474 0.772 0 CA-C-N 120.27 1.395 . . . . 10.0 113.54 -175.164 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.499 ' HA ' HD12 ' A' ' 9' ' ' LEU . 7.8 tt0 . . . . . 0 CA--C 1.512 -0.485 0 CA-C-O 117.565 -1.207 . . . . 10.0 112.541 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -56.65 -36.51 69.6 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 120.596 1.543 . . . . 10.0 112.502 -170.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.36 -44.4 75.3 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.772 0.715 . . . . 10.0 112.737 171.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 6' ' ' GLU . 5.2 mt -61.01 -45.48 94.66 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 125.706 1.602 . . . . 10.0 110.198 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.31 -50.51 69.75 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 130.028 3.331 . . . . 10.0 110.351 176.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -57.68 -51.92 67.57 Favored 'General case' 0 C--N 1.344 0.34 0 N-CA-C 113.961 1.097 . . . . 10.0 113.961 173.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -64.54 -32.02 73.48 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-N 119.529 1.059 . . . . 10.0 112.53 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.6 tp -75.94 -43.58 44.18 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.183 0.901 . . . . 10.0 111.418 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -68.88 -30.93 69.54 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.907 1.231 . . . . 10.0 111.157 176.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.5 m -63.9 -50.55 68.3 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 117.485 -1.245 . . . . 10.0 110.234 169.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.489 HD22 HD12 ' B' ' 61' ' ' LEU . 4.1 tp -51.01 -52.8 39.26 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.675 1.125 . . . . 10.0 111.249 173.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.718 HD13 HD22 ' B' ' 64' ' ' LEU . 1.7 mm? -62.32 -22.33 65.97 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.832 1.049 . . . . 10.0 113.832 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.431 ' HA ' HH11 ' B' ' 94' ' ' ARG . 2.5 m -120.37 15.21 12.13 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.037 1.125 . . . . 10.0 114.037 -168.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -55.82 -0.24 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 130.756 3.622 . . . . 10.0 117.727 -169.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.8 p 111.31 -25.35 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.228 1 C-N-CA 134.442 5.097 . . . . 10.0 111.906 -175.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -61.31 157.47 16.42 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 123.523 1.63 . . . . 10.0 113.661 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -146.82 -1.01 0.7 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.121 2.168 . . . . 10.0 113.872 170.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 m -47.07 -48.84 22.43 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.741 2.016 . . . . 10.0 116.043 -168.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.66 -14.11 5.38 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 125.013 1.292 . . . . 10.0 112.655 169.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.557 HD11 HD21 ' B' ' 64' ' ' LEU . 4.0 mt -59.46 -24.63 63.71 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 121.653 -0.91 . . . . 10.0 110.878 169.27 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -41.99 -43.25 3.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.814 2.045 . . . . 10.0 114.715 170.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.16 -52.25 63.17 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.768 0.827 . . . . 10.0 112.603 172.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.1 mm -67.93 -28.34 40.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.184 1.394 . . . . 10.0 109.241 -174.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.531 ' HA ' HD12 ' A' ' 34' ' ' ILE . 75.4 m-20 -70.87 -53.91 13.45 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.885 1.674 . . . . 10.0 110.92 172.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 ptt-85 -63.26 -34.17 77.08 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 117.842 -1.075 . . . . 10.0 112.396 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.9 -20.54 37.81 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.288 1.035 . . . . 10.0 113.782 175.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 mt -117.46 12.25 14.12 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.494 1.518 . . . . 10.0 111.715 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.14 11.91 64.69 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 124.251 0.929 . . . . 10.0 115.262 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 29' ' ' ASP 0.279 33.2 mt -50.13 -49.68 74.13 Favored Pre-proline 0 CA--C 1.547 0.857 0 CA-C-N 118.952 1.376 . . . . 10.0 113.771 -173.749 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -59.85 -26.1 81.31 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 122.543 2.162 . . . . 10.0 114.702 174.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -79.29 -37.71 37.1 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.164 -0.96 . . . . 10.0 111.72 172.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.4 mt -59.47 -30.12 68.3 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.332 0.515 . . . . 10.0 111.71 170.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 53.4 t . . . . . 0 N--CA 1.475 0.796 0 C-N-CA 125.761 1.624 . . . . 10.0 110.52 169.299 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.9 m . . . . . 0 N--CA 1.464 0.244 0 N-CA-C 104.748 -2.316 . . . . 10.0 104.748 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.503 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.1 OUTLIER -89.74 -22.66 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 109.393 -0.595 . . . . 10.0 109.393 -171.182 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 50.3 p -88.84 1.36 0.06 OUTLIER Pre-proline 0 N--CA 1.465 0.282 0 N-CA-C 119.828 3.27 . . . . 10.0 119.828 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -64.11 -19.25 65.95 Favored 'Trans proline' 0 CA--C 1.549 1.274 0 CA-C-N 127.294 3.641 . . . . 10.0 113.346 174.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.1 p -81.01 -53.1 6.72 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.498 1.519 . . . . 10.0 111.397 169.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.77 -29.03 67.91 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.382 1.473 . . . . 10.0 111.903 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 20.6 tp -56.59 -22.05 31.03 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.967 2.507 . . . . 10.0 111.229 169.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -98.77 -58.81 1.86 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.401 1.08 . . . . 10.0 108.71 168.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.09 -39.05 34.73 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 117.537 2.421 . . . . 10.0 117.537 -168.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 tp -79.07 -34.63 43.5 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.428 1.013 . . . . 10.0 109.611 174.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.489 HD12 HD22 ' A' ' 16' ' ' LEU . 22.1 tp -61.65 -51.88 66.64 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 117.549 -1.215 . . . . 10.0 111.326 174.563 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 41.2 ptt85 -58.12 -41.25 83.22 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 120.611 1.551 . . . . 10.0 111.071 171.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 7.8 m -58.33 -33.35 69.41 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.916 1.686 . . . . 10.0 113.64 -176.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.718 HD22 HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -105.59 -12.69 15.85 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.238 1.199 . . . . 10.0 114.238 173.096 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -58.58 -42.77 88.8 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 106.808 -1.553 . . . . 10.0 106.808 167.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 14.1 p -73.01 112.34 15.06 Favored Pre-proline 0 CA--C 1.543 0.711 0 N-CA-C 101.65 -3.463 . . . . 10.0 101.65 165.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -67.85 161.99 41.57 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 121.558 1.505 . . . . 10.0 115.519 -168.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 16.3 p -57.36 -23.91 51.95 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 115.757 1.762 . . . . 10.0 115.757 -169.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 32.5 t -46.7 -67.11 0.42 Allowed Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.604 1.161 . . . . 10.0 113.93 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.41 -20.78 18.0 Favored 'Trans proline' 0 CA--C 1.552 1.385 0 C-N-CA 121.863 1.709 . . . . 10.0 113.0 169.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -89.9 18.25 5.91 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.341 1.856 . . . . 10.0 114.653 -172.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.44 4.34 0.38 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.404 1.881 . . . . 10.0 115.254 -175.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -105.34 175.99 5.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 124.274 1.988 . . . . 10.0 115.783 -169.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -48.01 -13.52 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 128.137 2.575 . . . . 10.0 116.118 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -68.28 -22.48 64.74 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 121.425 1.92 . . . . 10.0 113.286 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -73.89 -53.22 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 107.453 -1.314 . . . . 10.0 107.453 169.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.448 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 0.6 OUTLIER -59.44 -38.14 79.92 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.888 1.275 . . . . 10.0 111.25 -173.074 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -62.79 -28.66 70.14 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.98 1.312 . . . . 10.0 113.584 175.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 23.0 mt -90.14 -45.3 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-N 119.98 1.264 . . . . 10.0 109.839 172.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 11.4 mt -39.8 -59.6 1.14 Allowed 'General case' 0 C--N 1.344 0.355 0 C-N-CA 127.077 2.151 . . . . 10.0 112.891 172.13 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -13.19 52.96 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 114.28 1.215 . . . . 10.0 114.28 -173.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 52.2 p -82.25 -4.91 58.05 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.129 1.159 . . . . 10.0 114.129 173.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -134.16 82.54 47.58 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 119.211 0.914 . . . . 10.0 110.275 -174.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -49.64 -44.68 34.64 Favored 'Trans proline' 0 CA--C 1.535 0.542 0 C-N-CA 123.629 2.886 . . . . 10.0 115.516 -172.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -63.21 -45.69 90.5 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.445 0.535 . . . . 10.0 112.445 175.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.49 -35.61 80.69 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 118.478 -0.772 . . . . 10.0 110.745 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -49.21 74.06 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 120.009 1.277 . . . . 10.0 112.135 175.066 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.54 98.9 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.177 -0.952 . . . . 10.0 112.008 173.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.12 -37.26 86.51 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 118.21 -0.9 . . . . 10.0 112.856 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -57.8 -59.6 4.97 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 126.2 1.8 . . . . 10.0 108.361 169.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.37 -51.29 42.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 119.475 1.034 . . . . 10.0 110.719 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -61.0 2.95 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.654 1.182 . . . . 10.0 111.796 178.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -32.62 70.4 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 117.589 -1.196 . . . . 10.0 111.738 -173.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 94' ' ' ARG . . . . . 0.431 HH11 ' HA ' ' A' ' 18' ' ' SER . 27.5 mmm180 -61.16 -49.86 75.5 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 121.797 2.09 . . . . 10.0 109.88 170.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.7 m -61.33 -40.06 92.81 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.618 -0.676 . . . . 10.0 111.581 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.92 -48.29 81.12 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.871 0.869 . . . . 10.0 112.462 171.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -42.2 65.48 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.673 1.189 . . . . 10.0 111.104 177.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -61.2 -59.81 4.73 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 117.782 -1.104 . . . . 10.0 111.972 172.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 26.1 m . . . . . 0 N--CA 1.478 0.932 0 CA-C-N 120.366 1.439 . . . . 10.0 113.181 -176.95 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.464 ' OE2' HD12 ' B' ' 52' ' ' ILE . 17.5 tt0 . . . . . 0 N--CA 1.443 -0.815 0 CA-C-O 118.054 -0.974 . . . . 10.0 111.329 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 mmm-85 -59.54 -38.97 82.46 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 119.071 -1.052 . . . . 10.0 112.798 -169.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.86 -49.18 73.77 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.773 0.829 . . . . 10.0 112.784 171.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.533 HD22 ' C ' ' A' ' 9' ' ' LEU 0.392 0.0 OUTLIER -71.97 -32.4 67.22 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 120.08 1.309 . . . . 10.0 113.16 -178.588 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.6 tp -63.11 -46.9 85.12 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 128.874 2.869 . . . . 10.0 110.097 170.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -58.16 -54.14 50.39 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.423 0.898 . . . . 10.0 113.423 172.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.493 ' HG3' ' HA ' ' A' ' 9' ' ' LEU . 3.9 pp0? -63.71 -29.33 70.57 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.342 0.974 . . . . 10.0 113.113 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.0 tp -75.06 -40.17 60.44 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.921 0.782 . . . . 10.0 111.868 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -73.23 -26.23 61.05 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.662 1.119 . . . . 10.0 111.952 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.4 m -63.19 -51.4 66.49 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.381 0.991 . . . . 10.0 110.554 169.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.5 tp -49.46 -53.65 21.89 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.704 0.802 . . . . 10.0 110.461 171.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.603 HD22 ' CE1' ' B' ' 90' ' ' PHE . 6.2 mt -65.17 -4.6 5.23 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.098 1.518 . . . . 10.0 115.098 176.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.586 ' HB2' ' HE3' ' B' ' 97' ' ' LYS . 84.8 p -138.61 15.64 2.73 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 119.523 -1.986 . . . . 10.0 114.626 -172.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -53.5 -6.83 0.08 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 131.174 3.79 . . . . 10.0 116.736 -177.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.7 p 117.56 -17.61 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.432 1 C-N-CA 135.167 5.387 . . . . 10.0 113.341 178.385 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -66.76 149.86 49.94 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 122.551 1.167 . . . . 10.0 113.497 173.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.64 -3.13 1.69 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.436 2.294 . . . . 10.0 113.805 170.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.7 m -50.17 -53.65 26.31 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 126.737 2.015 . . . . 10.0 113.669 -169.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.87 -25.04 8.71 Favored Glycine 0 CA--C 1.524 0.607 0 CA-C-O 119.482 -0.621 . . . . 10.0 113.776 171.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.28 -24.23 67.58 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 117.914 -1.041 . . . . 10.0 112.357 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -47.28 -42.97 21.91 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.329 1.052 . . . . 10.0 111.093 168.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.8 -51.02 68.72 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.776 1.171 . . . . 10.0 112.162 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.0 mm -59.74 -40.66 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 123.915 0.886 . . . . 10.0 109.768 176.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -74.52 -39.1 62.6 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 124.578 1.151 . . . . 10.0 110.732 -173.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -68.12 -34.82 77.08 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 119.686 1.13 . . . . 10.0 112.071 169.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.22 -20.02 62.32 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.295 0.952 . . . . 10.0 113.174 170.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.0 mt -108.36 10.88 27.46 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 125.811 1.644 . . . . 10.0 112.056 174.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.27 7.41 51.63 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 125.393 1.473 . . . . 10.0 115.224 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.264 59.5 mt -53.16 -46.04 97.98 Favored Pre-proline 0 CA--C 1.541 0.607 0 C-N-CA 126.032 1.733 . . . . 10.0 115.157 -170.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -53.52 -40.77 77.67 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 122.585 2.19 . . . . 10.0 113.62 170.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -75.88 -25.31 56.0 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.641 1.109 . . . . 10.0 113.054 174.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.28 -33.35 75.11 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 120.037 1.289 . . . . 10.0 111.296 169.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.591 HG21 ' HB2' ' B' ' 98' ' ' TYR . 91.7 t . . . . . 0 N--CA 1.476 0.833 0 C-N-CA 124.485 1.114 . . . . 10.0 110.078 169.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 101.054 -3.684 . . . . 10.0 101.054 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.489 ' H ' HD12 ' B' ' 52' ' ' ILE . 1.5 mp -89.6 -15.25 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 119.53 1.059 . . . . 10.0 110.583 -169.109 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 3.5 p -98.21 6.09 0.07 OUTLIER Pre-proline 0 CA--C 1.543 0.698 0 N-CA-C 118.821 2.897 . . . . 10.0 118.821 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -63.12 -18.8 66.81 Favored 'Trans proline' 0 CA--C 1.551 1.362 0 CA-C-N 126.585 3.388 . . . . 10.0 113.269 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.4 p -78.5 -53.91 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 125.942 1.697 . . . . 10.0 111.175 169.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.9 -26.78 62.63 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.255 1.422 . . . . 10.0 112.562 172.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.51 -22.87 62.24 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.595 1.958 . . . . 10.0 112.317 170.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -94.37 -59.96 1.83 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.248 1.019 . . . . 10.0 108.759 169.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.99 -53.77 9.33 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.766 1.395 . . . . 10.0 114.766 -169.233 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.0 tp -68.23 -34.77 76.85 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.527 -1.358 . . . . 10.0 110.345 178.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.54 -60.65 3.14 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 117.606 -1.188 . . . . 10.0 110.471 170.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -35.49 70.6 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 120.327 1.421 . . . . 10.0 112.197 178.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' THR . . . . . 0.438 HG21 ' HA ' ' B' ' 76' ' ' VAL . 1.2 m -62.63 -20.96 65.31 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.447 1.899 . . . . 10.0 115.285 -179.064 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -117.52 -19.34 9.48 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 124.817 1.323 . . . . 10.0 113.635 172.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -61.63 -40.72 95.88 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 107.71 -1.218 . . . . 10.0 107.71 167.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 10.3 p -68.46 127.94 93.14 Favored Pre-proline 0 CA--C 1.546 0.805 0 N-CA-C 105.515 -2.032 . . . . 10.0 105.515 167.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.03 151.88 45.28 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 121.496 1.464 . . . . 10.0 114.982 -168.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 1.1 m -58.37 15.67 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.751 1 C-N-CA 131.885 4.074 . . . . 10.0 116.024 -170.202 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.2 t -76.52 -81.8 0.04 OUTLIER Pre-proline 0 CA--C 1.539 0.528 0 C-N-CA 124.908 1.283 . . . . 10.0 110.718 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -72.52 -24.03 19.4 Favored 'Trans proline' 0 C--N 1.359 1.12 0 CA-C-N 122.47 1.918 . . . . 10.0 111.549 169.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -68.36 -3.99 13.0 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 125.601 1.56 . . . . 10.0 113.87 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -20.78 63.65 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.127 1.771 . . . . 10.0 112.274 168.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -59.27 160.26 6.74 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 122.511 1.148 . . . . 10.0 113.05 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -51.22 -2.44 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 128.928 2.891 . . . . 10.0 115.989 171.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' GLN . . . . . 0.423 ' NE2' HG23 ' B' ' 63' ' ' THR . 2.7 pp0? -60.41 -31.07 70.03 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 119.879 1.218 . . . . 10.0 113.012 169.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.438 ' HA ' HG21 ' B' ' 63' ' ' THR . 2.5 t -67.84 -52.61 38.06 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 C-N-CA 119.107 -1.037 . . . . 10.0 108.426 171.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.77 -43.49 72.84 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.2 1.4 . . . . 10.0 110.906 -175.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -59.35 -33.91 71.73 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.564 1.146 . . . . 10.0 113.351 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 7.6 mt -91.0 -36.77 8.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 119.032 0.833 . . . . 10.0 111.545 175.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.2 mt -46.3 -45.45 17.41 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 127.502 2.321 . . . . 10.0 112.864 174.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -59.86 -14.51 15.52 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.838 1.421 . . . . 10.0 114.838 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 90.0 p -73.62 -56.17 5.35 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.737 1.384 . . . . 10.0 114.737 -172.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -89.47 105.04 9.34 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 119.414 1.006 . . . . 10.0 108.916 170.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -60.98 -31.91 91.85 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 122.847 2.365 . . . . 10.0 111.949 -174.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -72.99 -41.55 64.19 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.99 0.916 . . . . 10.0 110.521 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.17 -41.49 92.97 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.408 1.004 . . . . 10.0 110.383 169.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -50.48 73.47 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 175.447 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.89 99.7 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 112.335 0.494 . . . . 10.0 112.335 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.7 76.85 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.84 1.256 . . . . 10.0 110.993 175.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.603 ' CE1' HD22 ' A' ' 17' ' ' LEU . 75.8 t80 -49.2 -60.33 2.9 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.587 1.555 . . . . 10.0 109.267 170.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 85.9 mt -50.95 -55.05 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 119.555 1.071 . . . . 10.0 111.555 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.405 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.0 OUTLIER -56.3 -57.6 11.56 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.844 0.858 . . . . 10.0 111.724 -179.203 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -67.17 -39.95 86.55 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.634 1.573 . . . . 10.0 112.408 -175.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -61.5 -44.48 96.99 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 119.911 1.232 . . . . 10.0 110.958 172.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 3.1 m -59.51 -49.93 75.88 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 118.923 -0.56 . . . . 10.0 110.099 176.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.43 -45.89 69.6 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 118.412 -0.804 . . . . 10.0 111.663 170.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' LYS . . . . . 0.586 ' HE3' ' HB2' ' A' ' 18' ' ' SER . 5.9 tppt? -50.22 -19.79 0.88 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.145 1.778 . . . . 10.0 115.03 177.459 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 98' ' ' TYR . . . . . 0.591 ' HB2' HG21 ' A' ' 38' ' ' VAL . 20.3 m-85 -103.83 -14.35 16.07 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 116.031 1.863 . . . . 10.0 116.031 175.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . 0.488 14.1 m . . . . . 0 C--N 1.344 0.351 0 CA-C-N 120.513 1.506 . . . . 10.0 113.242 -170.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 . . . . . 0 CA--C 1.513 -0.46 0 CA-C-O 116.605 -1.664 . . . . 10.0 112.088 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.526 ' HE ' ' CG ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -59.52 -51.98 67.53 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 120.584 1.538 . . . . 10.0 112.394 -177.084 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.44 -39.86 92.58 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.661 -0.685 . . . . 10.0 112.452 176.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.426 HD22 HD13 ' B' ' 57' ' ' LEU . 77.4 mt -63.25 -52.82 60.59 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 118.519 0.6 . . . . 10.0 110.657 176.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.49 HD23 HH22 ' A' ' 7' ' ' ARG . 45.3 tp -60.17 -45.64 92.4 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 125.148 1.379 . . . . 10.0 110.28 178.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.526 ' CG ' ' HE ' ' A' ' 7' ' ' ARG . 81.5 m-20 -59.01 -51.44 70.06 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.492 0.587 . . . . 10.0 112.206 177.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.412 HE21 ' C ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -70.08 -24.47 63.23 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 118.042 -0.98 . . . . 10.0 113.247 178.715 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.87 -47.52 25.14 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 120.167 1.348 . . . . 10.0 111.211 172.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -65.86 -30.16 70.73 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 120.681 1.582 . . . . 10.0 111.095 176.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.6 m -59.83 -55.43 34.28 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.8 0.84 . . . . 10.0 109.209 169.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tp -50.88 -55.74 15.58 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.736 0.814 . . . . 10.0 112.236 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.639 HD13 HD22 ' B' ' 64' ' ' LEU . 2.6 mm? -65.97 -17.67 64.83 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.607 1.336 . . . . 10.0 114.607 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 p -125.07 11.21 8.22 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 115.004 1.483 . . . . 10.0 115.004 -172.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -47.04 -5.62 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.873 1 C-N-CA 132.596 4.359 . . . . 10.0 118.585 -172.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.1 p 112.08 -18.96 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.08 1 C-N-CA 134.462 5.105 . . . . 10.0 112.03 -171.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -67.19 156.28 36.67 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 121.544 1.975 . . . . 10.0 113.918 174.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.67 -1.16 0.8 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.084 2.154 . . . . 10.0 113.679 169.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 m -47.37 -42.81 22.5 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 116.79 2.144 . . . . 10.0 116.79 -167.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.27 -15.37 3.41 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 124.273 0.94 . . . . 10.0 113.69 168.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.709 HD11 HD21 ' B' ' 64' ' ' LEU . 4.9 mt -59.88 -24.79 64.55 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 123.702 0.801 . . . . 10.0 111.033 169.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -44.02 -43.52 6.77 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.076 1.751 . . . . 10.0 114.428 170.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -66.8 -49.06 67.03 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.944 0.898 . . . . 10.0 112.025 174.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 mm -61.92 -38.47 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 124.265 1.026 . . . . 10.0 109.77 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -62.4 -53.64 52.04 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 125.253 1.421 . . . . 10.0 109.931 175.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.9 ptt-85 -67.14 -35.01 78.8 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.191 0.905 . . . . 10.0 112.778 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.82 -20.18 61.14 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.311 1.044 . . . . 10.0 113.392 172.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.8 mt -112.47 16.4 19.86 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.761 1.624 . . . . 10.0 111.724 174.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.78 11.41 49.72 Favored Glycine 0 C--N 1.343 0.971 0 C-N-CA 125.363 1.459 . . . . 10.0 115.3 175.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.264 20.1 mt -55.08 -43.0 98.83 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-N 118.856 1.328 . . . . 10.0 113.406 -170.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -55.99 -34.29 91.81 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.849 2.366 . . . . 10.0 115.081 169.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.63 -46.47 63.26 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 120.914 -1.116 . . . . 10.0 110.33 169.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.8 mt -52.45 -38.25 58.84 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.35 0.977 . . . . 10.0 111.946 174.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.1 t . . . . . 0 N--CA 1.468 0.445 0 C-N-CA 124.718 1.207 . . . . 10.0 110.991 169.779 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 16.8 m . . . . . 0 CA--C 1.52 -0.186 0 N-CA-C 105.179 -2.156 . . . . 10.0 105.179 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.478 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.2 OUTLIER -89.58 -15.06 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 109.142 -0.688 . . . . 10.0 109.142 -170.417 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 34.1 p -94.0 5.75 0.06 OUTLIER Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 119.85 3.278 . . . . 10.0 119.85 -175.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -64.18 -20.16 66.82 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 CA-C-N 126.248 3.267 . . . . 10.0 113.011 173.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 16.2 p -81.41 -50.93 8.87 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.085 1.754 . . . . 10.0 111.744 169.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.8 -26.86 67.6 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.867 0.867 . . . . 10.0 112.9 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.426 HD13 HD22 ' A' ' 9' ' ' LEU . 27.1 tp -60.13 -24.33 64.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 127.127 2.171 . . . . 10.0 111.288 169.487 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -90.97 -60.01 2.02 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 169.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.62 -40.05 17.93 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 118.8 2.889 . . . . 10.0 118.8 -167.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 14.5 tp -77.78 -35.65 51.31 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.088 1.313 . . . . 10.0 109.512 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.72 -52.35 63.59 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.061 1.344 . . . . 10.0 110.705 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 39.5 ptt85 -60.13 -35.74 75.94 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 121.318 1.872 . . . . 10.0 112.297 172.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 5.2 m -62.65 -25.38 68.1 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.855 1.662 . . . . 10.0 113.911 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.709 HD21 HD11 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -114.64 -13.82 12.09 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 114.406 1.261 . . . . 10.0 114.406 170.851 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -61.86 -37.39 84.33 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 106.363 -1.718 . . . . 10.0 106.363 167.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 8.9 p -75.61 110.49 10.77 Favored Pre-proline 0 CA--C 1.548 0.866 0 N-CA-C 103.077 -2.934 . . . . 10.0 103.077 166.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.18 155.08 41.84 Favored 'Trans proline' 0 C--N 1.353 0.815 0 N-CA-C 117.459 2.061 . . . . 10.0 117.459 -168.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 45.3 p -60.11 -24.57 64.76 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 114.173 -1.376 . . . . 10.0 113.763 -169.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 29.2 t -49.26 -65.8 0.74 Allowed Pre-proline 0 CA--C 1.55 0.96 0 CA-C-O 117.24 -1.362 . . . . 10.0 113.327 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.83 -23.74 25.57 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 CA-C-N 122.327 1.867 . . . . 10.0 112.972 169.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -89.8 17.28 6.8 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.938 1.695 . . . . 10.0 113.722 -171.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.33 13.95 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.947 2.099 . . . . 10.0 115.301 -175.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -117.28 176.3 5.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 116.563 2.061 . . . . 10.0 116.563 -169.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -49.73 -11.95 0.06 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.203 2.201 . . . . 10.0 115.947 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -66.48 -25.79 66.88 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-N 121.529 1.968 . . . . 10.0 113.61 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.49 -51.94 37.23 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 N-CA-C 107.774 -1.195 . . . . 10.0 107.774 169.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.05 -36.63 82.21 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.186 1.395 . . . . 10.0 111.369 -172.301 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -64.62 -30.61 71.63 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.014 1.725 . . . . 10.0 113.352 176.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.6 mt -89.78 -43.85 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.817 0.735 . . . . 10.0 109.914 174.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 mt -40.28 -55.69 2.13 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 127.331 2.252 . . . . 10.0 111.469 173.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -57.05 -23.22 44.95 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 114.648 1.351 . . . . 10.0 114.648 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 60.5 p -79.26 -7.38 58.23 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.985 0.914 . . . . 10.0 113.466 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -132.13 85.72 49.0 Favored Pre-proline 0 CA--C 1.535 0.39 0 O-C-N 120.75 -1.219 . . . . 10.0 108.901 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -51.12 -45.62 35.72 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 124.021 3.147 . . . . 10.0 114.833 -170.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -62.02 -44.58 96.4 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 112.918 0.711 . . . . 10.0 112.918 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.76 -40.77 98.3 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 125.332 1.453 . . . . 10.0 110.367 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -52.93 63.57 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.127 0.971 . . . . 10.0 113.359 171.318 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.34 -43.73 98.14 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.536 0.607 . . . . 10.0 112.203 176.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.58 92.96 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.933 0.893 . . . . 10.0 112.703 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -56.59 -60.22 3.86 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 124.44 1.096 . . . . 10.0 109.237 169.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 63.2 mt -51.17 -53.56 14.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 118.615 0.643 . . . . 10.0 110.838 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.461 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.0 OUTLIER -58.15 -60.16 4.19 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 123.47 0.708 . . . . 10.0 112.345 -179.861 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -32.95 70.67 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 117.01 -1.472 . . . . 10.0 111.737 -174.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -57.3 -48.91 77.73 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 121.542 1.974 . . . . 10.0 110.85 169.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.6 m -61.18 -44.2 97.67 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.422 0.689 . . . . 10.0 110.581 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.96 -44.56 97.14 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.598 0.759 . . . . 10.0 112.948 172.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.54 -48.26 48.51 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.826 2.051 . . . . 10.0 109.89 173.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -59.12 -61.14 2.86 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-O 118.694 -0.67 . . . . 10.0 112.137 175.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 113.779 1.029 . . . . 10.0 113.779 -174.69 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 . . . . . 0 C--O 1.226 -0.14 0 CA-C-O 117.212 -1.375 . . . . 10.0 111.988 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -64.79 -39.68 94.0 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 119.659 1.118 . . . . 10.0 111.722 -173.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.01 -42.95 75.73 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.721 0.809 . . . . 10.0 111.207 174.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.421 HD22 HD13 ' B' ' 57' ' ' LEU . 65.3 mt -62.31 -43.08 99.65 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.093 0.957 . . . . 10.0 111.784 176.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 tp -58.88 -50.11 75.23 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 128.413 2.685 . . . . 10.0 111.019 171.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -59.22 -51.83 68.3 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 177.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -65.43 -26.89 68.17 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 177.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 mt -75.56 -47.55 26.26 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 119.56 1.073 . . . . 10.0 113.751 172.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -66.36 -27.51 67.94 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 120.709 1.595 . . . . 10.0 111.226 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.4 m -71.14 -43.62 67.2 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 117.149 -1.405 . . . . 10.0 111.693 169.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' B' ' 61' ' ' LEU . 6.1 tp -50.97 -53.71 30.69 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 121.267 1.849 . . . . 10.0 110.331 169.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.675 HD13 HD22 ' B' ' 64' ' ' LEU . 2.4 mm? -64.36 -15.49 60.51 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.248 1.203 . . . . 10.0 114.248 178.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.1 t -123.58 16.52 9.59 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 120.068 -1.645 . . . . 10.0 113.488 -173.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -52.08 -0.67 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 130.627 3.571 . . . . 10.0 117.518 -172.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.6 p 115.68 -16.73 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.104 1 C-N-CA 135.571 5.549 . . . . 10.0 112.241 178.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.86 159.72 33.29 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-O 123.7 1.714 . . . . 10.0 114.567 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -143.49 -4.86 0.86 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 127.933 2.493 . . . . 10.0 112.987 169.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.7 m -50.05 -47.77 53.28 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 127.733 2.413 . . . . 10.0 115.652 -168.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.31 -12.23 7.63 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 123.747 0.689 . . . . 10.0 113.344 169.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.437 HD11 HD21 ' B' ' 64' ' ' LEU . 4.2 mt -62.58 -22.97 66.76 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 118.251 -0.881 . . . . 10.0 112.144 169.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.06 -40.86 7.11 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.616 1.566 . . . . 10.0 114.347 169.664 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -59.06 -54.13 50.54 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 119.429 1.013 . . . . 10.0 112.053 170.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.0 mm -69.27 -31.88 51.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.459 0.704 . . . . 10.0 109.269 -170.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -65.18 -53.25 47.64 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.765 1.626 . . . . 10.0 110.346 171.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -64.88 -38.49 91.16 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.929 1.24 . . . . 10.0 112.192 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.41 -19.94 57.91 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.422 1.089 . . . . 10.0 113.902 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.1 mt -118.21 17.83 13.88 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.489 1.516 . . . . 10.0 111.309 176.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.91 6.48 24.81 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 126.164 1.84 . . . . 10.0 115.627 174.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.269 18.0 mt -46.6 -46.48 48.93 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 126.345 1.858 . . . . 10.0 113.99 -169.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -55.54 -28.12 63.18 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.182 2.588 . . . . 10.0 115.681 176.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -73.33 -41.15 63.83 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.683 1.583 . . . . 10.0 110.579 171.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.8 mt -57.38 -24.02 52.77 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.134 1.374 . . . . 10.0 112.885 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 N--CA 1.474 0.774 0 C-N-CA 126.269 1.828 . . . . 10.0 110.453 170.73 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 53.5 p . . . . . 0 N--CA 1.464 0.232 0 N-CA-C 108.047 -1.094 . . . . 10.0 108.047 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.64 -18.27 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 123.649 0.78 . . . . 10.0 110.537 -177.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 57.5 p -98.01 5.85 0.07 OUTLIER Pre-proline 0 C--O 1.221 -0.396 0 N-CA-C 119.135 3.013 . . . . 10.0 119.135 -175.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -66.33 -19.82 55.57 Favored 'Trans proline' 0 CA--C 1.547 1.169 0 CA-C-N 125.701 3.072 . . . . 10.0 112.722 175.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 16.1 p -80.66 -51.48 8.65 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 125.411 1.484 . . . . 10.0 110.583 169.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.0 -29.47 70.29 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.599 1.16 . . . . 10.0 112.564 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.421 HD13 HD22 ' A' ' 9' ' ' LEU . 15.9 tp -57.2 -28.83 63.2 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 127.653 2.381 . . . . 10.0 111.697 170.01 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -90.74 -60.48 1.91 Allowed 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.188 -0.671 . . . . 10.0 109.188 168.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.6 -37.55 27.44 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 119.329 3.085 . . . . 10.0 119.329 -167.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 tp -79.85 -38.68 32.26 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 120.151 1.341 . . . . 10.0 109.367 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.409 ' HA ' HD22 ' A' ' 16' ' ' LEU . 14.7 tp -55.82 -51.91 65.85 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 125.885 1.674 . . . . 10.0 109.742 170.201 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -52.74 -53.65 44.94 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 125.071 1.349 . . . . 10.0 111.173 168.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 9.0 m -54.82 -33.46 61.64 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.703 1.601 . . . . 10.0 114.491 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.675 HD22 HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -104.06 -14.51 15.89 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.935 1.087 . . . . 10.0 113.935 172.919 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -37.92 78.07 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-O 118.234 -0.889 . . . . 10.0 108.628 168.248 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 25.3 p -76.77 113.47 30.06 Favored Pre-proline 0 CA--C 1.544 0.743 0 N-CA-C 103.694 -2.706 . . . . 10.0 103.694 166.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -62.01 159.01 35.93 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 N-CA-C 118.217 2.353 . . . . 10.0 118.217 -168.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 79.3 p -56.61 -32.91 65.74 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 126.957 2.103 . . . . 10.0 113.614 -169.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.7 t -46.87 -67.34 0.4 Allowed Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 125.206 1.402 . . . . 10.0 113.811 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -68.87 -23.44 35.04 Favored 'Trans proline' 0 C--N 1.358 1.037 0 CA-C-N 121.716 1.648 . . . . 10.0 113.093 170.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -88.41 11.81 15.93 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.566 1.546 . . . . 10.0 115.018 -173.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -71.63 46.36 0.12 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.55 1.94 . . . . 10.0 114.54 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -142.56 179.17 7.13 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 123.361 1.553 . . . . 10.0 113.146 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -62.85 -5.6 2.99 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.68 1.592 . . . . 10.0 115.272 -169.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -67.55 -23.27 65.41 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 121.306 1.866 . . . . 10.0 112.85 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -72.39 -52.31 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 107.55 -1.278 . . . . 10.0 107.55 169.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.414 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 0.5 OUTLIER -59.32 -37.92 79.01 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.466 1.106 . . . . 10.0 111.234 -174.261 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -62.43 -30.2 71.05 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.323 1.449 . . . . 10.0 113.861 175.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.2 mt -90.26 -43.6 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 118.935 0.789 . . . . 10.0 109.829 174.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.414 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 10.6 mt -40.82 -60.05 1.27 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.791 2.036 . . . . 10.0 111.248 172.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -14.07 61.07 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 114.449 1.277 . . . . 10.0 114.449 -173.11 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 48.0 p -77.19 -7.68 56.26 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.767 1.025 . . . . 10.0 113.767 173.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -131.21 84.44 57.01 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 125.013 1.325 . . . . 10.0 108.099 -175.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -49.36 -48.27 19.32 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 124.65 3.566 . . . . 10.0 115.066 -169.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -63.67 -46.13 86.96 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.519 1.528 . . . . 10.0 112.14 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.11 -42.41 94.65 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.473 0.709 . . . . 10.0 109.948 174.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 4.4 ttt -63.1 -47.59 82.16 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.514 0.726 . . . . 10.0 112.119 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.2 95.86 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.467 0.576 . . . . 10.0 112.103 174.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.21 -45.05 92.13 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 118.667 -0.682 . . . . 10.0 111.655 174.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -52.6 -58.59 6.3 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.9 1.68 . . . . 10.0 108.573 171.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 88.8 mt -52.88 -53.03 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 119.055 0.843 . . . . 10.0 110.458 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -60.07 -59.13 5.91 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.856 0.863 . . . . 10.0 112.2 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -70.42 -34.49 72.57 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.956 1.302 . . . . 10.0 112.382 -173.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -59.3 -43.66 92.6 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 121.262 1.846 . . . . 10.0 109.706 169.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.0 m -60.75 -43.0 98.52 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-O 119.149 -0.453 . . . . 10.0 111.984 172.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.9 -50.48 72.39 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.603 1.161 . . . . 10.0 112.468 173.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -49.22 -47.09 46.55 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.206 1.803 . . . . 10.0 110.896 170.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -65.6 -55.99 14.66 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.927 1.084 . . . . 10.0 113.927 175.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 N--CA 1.48 1.05 0 CA-C-N 120.63 1.559 . . . . 10.0 113.936 -173.499 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.4 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 1.4 mm-40 . . . . . 0 C--O 1.217 -0.614 0 CA-C-O 117.866 -1.064 . . . . 10.0 111.327 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -40.79 -45.14 2.39 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 115.882 1.808 . . . . 10.0 115.882 -168.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.11 -45.29 74.09 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 120.579 1.536 . . . . 10.0 114.204 174.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 6' ' ' GLU 0.292 0.0 OUTLIER -76.84 -31.02 56.59 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.867 1.212 . . . . 10.0 111.645 178.72 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.81 -47.39 83.66 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 127.876 2.47 . . . . 10.0 109.819 169.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -58.03 -52.8 64.01 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-O 117.752 -1.118 . . . . 10.0 112.742 169.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -26.85 67.34 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 120.424 1.465 . . . . 10.0 112.954 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.42 -45.78 36.82 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 119.878 1.217 . . . . 10.0 111.483 172.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . 0.263 4.1 p80 -68.72 -28.69 67.05 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 121.057 1.753 . . . . 10.0 111.335 177.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 m -64.88 -43.4 93.03 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.931 0.892 . . . . 10.0 110.915 169.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.433 HD22 HD12 ' B' ' 61' ' ' LEU . 6.6 tp -58.01 -54.27 48.87 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 119.884 1.22 . . . . 10.0 110.706 171.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.705 HD13 HD22 ' B' ' 64' ' ' LEU . 1.9 mm? -62.73 -19.49 63.98 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.949 1.25 . . . . 10.0 113.159 178.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.9 t -119.08 20.97 12.55 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.896 1.279 . . . . 10.0 114.314 -176.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -54.89 -15.29 1.86 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 127.237 2.215 . . . . 10.0 113.855 -175.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.307 49.4 p 121.25 -10.15 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.807 1 C-N-CA 135.169 5.387 . . . . 10.0 111.257 169.498 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -59.45 152.32 21.9 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 123.883 1.802 . . . . 10.0 112.047 170.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.15 -6.61 1.6 Allowed 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 127.192 2.197 . . . . 10.0 112.632 171.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.2 m -43.41 -57.5 3.03 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 126.666 1.986 . . . . 10.0 116.25 -168.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.31 -2.71 21.46 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 124.677 1.132 . . . . 10.0 111.881 168.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.406 HD11 HD21 ' B' ' 64' ' ' LEU . 1.1 mt -68.75 -28.32 66.69 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-O 118.039 -0.982 . . . . 10.0 111.612 169.325 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -55.1 -36.09 65.31 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.749 1.62 . . . . 10.0 112.589 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -65.42 -50.73 64.35 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.715 2.006 . . . . 10.0 113.082 169.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.427 HD11 HG21 ' B' ' 76' ' ' VAL . 8.8 mt -59.9 -40.71 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.684 0.794 . . . . 10.0 110.429 175.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.408 ' HA ' HD12 ' A' ' 34' ' ' ILE . 78.3 m-20 -60.1 -52.17 66.47 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.615 1.566 . . . . 10.0 110.83 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.7 ptt-85 -63.9 -38.81 92.45 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 118.17 -0.919 . . . . 10.0 112.673 173.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.63 -19.9 59.31 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.7 1.0 . . . . 10.0 113.7 174.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.2 mt -116.65 22.74 12.5 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.634 1.574 . . . . 10.0 112.567 169.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 67.36 5.07 33.65 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 125.496 1.522 . . . . 10.0 116.321 169.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 29' ' ' ASP . 5.8 mt -52.33 -47.11 93.89 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-N 119.652 1.726 . . . . 10.0 114.006 -171.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.42 -31.54 92.73 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 122.508 2.139 . . . . 10.0 113.273 174.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -73.83 -36.72 64.95 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.109 -0.995 . . . . 10.0 111.405 171.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.85 -32.61 69.59 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.741 1.155 . . . . 10.0 112.007 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.9 t . . . . . 0 CA--C 1.539 0.544 0 C-N-CA 123.86 0.864 . . . . 10.0 110.444 169.499 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 CA--C 1.533 0.311 0 N-CA-C 104.198 -2.519 . . . . 10.0 104.198 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.587 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.3 OUTLIER -90.47 -23.85 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 119.4 1.0 . . . . 10.0 111.044 -170.016 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 53' ' ' SER . . . . . 0.426 ' HB3' HD22 ' B' ' 83' ' ' ASN . 13.7 p -100.14 9.04 0.06 OUTLIER Pre-proline 0 CA--C 1.544 0.738 0 N-CA-C 119.491 3.145 . . . . 10.0 119.491 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -63.69 -19.12 66.76 Favored 'Trans proline' 0 C--N 1.353 0.816 0 CA-C-N 125.647 3.052 . . . . 10.0 113.591 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 p -83.31 -48.89 9.93 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.801 1.641 . . . . 10.0 112.119 170.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.24 -31.9 61.88 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.831 1.652 . . . . 10.0 112.565 169.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 39.4 tp -55.73 -25.89 42.66 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.262 1.825 . . . . 10.0 112.033 169.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -90.97 -60.37 1.93 Allowed 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 109.052 -0.722 . . . . 10.0 109.052 169.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.66 -48.32 19.39 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 115.644 1.72 . . . . 10.0 115.644 -168.01 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 16.6 tp -67.78 -39.8 84.05 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.832 1.196 . . . . 10.0 110.125 177.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.433 HD12 HD22 ' A' ' 16' ' ' LEU . 21.6 tp -55.78 -54.14 48.05 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.432 1.093 . . . . 10.0 110.087 174.184 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -51.31 -48.15 62.41 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.122 1.769 . . . . 10.0 112.177 170.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' THR . . . . . 0.432 HG21 ' HA ' ' B' ' 76' ' ' VAL . 1.0 OUTLIER -62.56 -19.65 63.9 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 127.364 2.265 . . . . 10.0 115.5 -175.719 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.705 HD22 HD13 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -116.1 -18.58 10.58 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 168.831 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -57.17 -41.2 78.79 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 107.067 -1.457 . . . . 10.0 107.067 168.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 8.5 p -74.69 109.79 8.14 Favored Pre-proline 0 CA--C 1.548 0.874 0 N-CA-C 103.495 -2.78 . . . . 10.0 103.495 167.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -59.84 148.01 90.12 Favored 'Trans proline' 0 C--N 1.353 0.805 0 N-CA-C 117.278 1.991 . . . . 10.0 117.278 -167.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.4 p -51.97 -28.13 15.72 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 127.403 2.281 . . . . 10.0 115.573 -169.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 29.9 t -42.06 -65.37 0.52 Allowed Pre-proline 0 CA--C 1.545 0.756 0 C-N-CA 126.613 1.965 . . . . 10.0 113.486 -173.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -84.09 -25.98 2.05 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.179 1.92 . . . . 10.0 111.794 169.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -74.13 35.72 0.09 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.829 2.452 . . . . 10.0 114.638 -171.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -66.87 -179.18 0.85 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 129.124 2.969 . . . . 10.0 115.042 -175.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 0.81 -96.46 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 130.774 3.629 . . . . 10.0 117.411 -176.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -39.58 -60.24 0.99 Allowed 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 126.651 1.98 . . . . 10.0 115.637 -168.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' GLN . . . . . 0.412 ' NE2' HG23 ' B' ' 63' ' ' THR . 2.9 pp0? -68.55 -32.38 72.28 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 121.088 1.767 . . . . 10.0 114.068 -173.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.432 ' HA ' HG21 ' B' ' 63' ' ' THR . 2.5 t -71.06 -51.6 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 118.405 -1.318 . . . . 10.0 108.117 171.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -53.31 -43.18 67.38 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.584 1.554 . . . . 10.0 110.964 -175.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -58.39 -40.06 81.33 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.563 1.545 . . . . 10.0 113.392 178.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 7.2 mt -90.48 -33.4 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-O 118.869 -0.586 . . . . 10.0 110.2 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mt -44.2 -56.04 4.39 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 128.079 2.552 . . . . 10.0 111.013 170.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -64.5 -15.3 60.6 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.032 1.123 . . . . 10.0 114.032 -175.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 76.6 p -71.03 -26.73 63.23 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.217 1.007 . . . . 10.0 113.619 -175.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ASN . . . . . 0.426 HD22 ' HB3' ' B' ' 53' ' ' SER . 43.4 t-20 -114.93 108.79 48.01 Favored Pre-proline 0 N--CA 1.449 -0.515 0 N-CA-C 107.75 -1.204 . . . . 10.0 107.75 169.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -62.49 -33.88 77.44 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 123.419 2.746 . . . . 10.0 111.712 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -65.41 -50.48 65.32 Favored 'General case' 0 C--N 1.346 0.446 0 C-N-CA 124.311 1.044 . . . . 10.0 110.195 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.22 -41.02 98.0 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-O 118.846 -0.597 . . . . 10.0 110.443 175.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 4.2 ttt -60.75 -46.7 89.44 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.917 1.235 . . . . 10.0 111.663 177.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.09 96.1 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.573 -0.705 . . . . 10.0 111.376 175.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.67 -41.27 94.73 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 118.204 -0.903 . . . . 10.0 111.946 175.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -55.17 -57.96 9.62 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 124.885 1.274 . . . . 10.0 110.176 170.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 96.8 mt -52.96 -52.66 26.9 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 118.297 0.499 . . . . 10.0 110.237 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.445 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.0 OUTLIER -59.56 -59.86 4.77 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.634 -0.666 . . . . 10.0 111.968 178.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -71.73 -32.04 67.33 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 117.026 -1.464 . . . . 10.0 112.181 -172.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -59.74 -42.15 92.51 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 122.51 2.414 . . . . 10.0 109.937 169.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.8 m -61.76 -46.93 87.46 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 119.293 -0.384 . . . . 10.0 111.162 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.52 -48.57 74.46 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.199 0.999 . . . . 10.0 112.642 171.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -46.46 62.98 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.308 1.843 . . . . 10.0 110.925 174.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -59.87 -59.51 5.31 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 119.093 0.86 . . . . 10.0 112.159 175.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 N--CA 1.471 0.614 0 CA-C-N 119.263 0.938 . . . . 10.0 113.42 -176.768 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.412 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 38.0 tp10 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.132 -0.937 . . . . 10.0 111.191 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.75 -45.53 93.96 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.88 1.218 . . . . 10.0 111.81 -173.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.44 -39.4 88.88 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 176.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.474 HD22 ' C ' ' A' ' 9' ' ' LEU 0.407 0.0 OUTLIER -77.55 -32.29 53.78 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.187 0.903 . . . . 10.0 112.391 -179.65 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.0 tp -57.42 -46.87 83.05 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 128.505 2.722 . . . . 10.0 109.411 169.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -56.9 -54.45 46.37 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 124.022 0.929 . . . . 10.0 113.43 173.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -65.62 -26.86 68.01 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.906 1.23 . . . . 10.0 112.864 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.9 tp -77.97 -40.15 40.26 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.462 1.028 . . . . 10.0 111.964 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -73.33 -28.98 62.36 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.6 1.091 . . . . 10.0 111.54 172.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.6 m -60.59 -54.71 42.12 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.718 0.807 . . . . 10.0 110.037 169.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.459 HD22 HD12 ' B' ' 61' ' ' LEU . 7.9 tp -48.19 -51.32 25.73 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.219 1.008 . . . . 10.0 111.34 173.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.443 HD22 ' CE1' ' B' ' 90' ' ' PHE . 7.0 mt -67.69 -17.97 64.76 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.893 1.442 . . . . 10.0 114.893 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 94.7 p -125.11 11.87 8.25 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 120.708 -1.245 . . . . 10.0 113.69 -170.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -49.26 -10.44 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 131.504 3.922 . . . . 10.0 117.888 -173.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.262 40.9 p 120.53 -18.21 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.935 1 C-N-CA 134.414 5.086 . . . . 10.0 113.34 -178.794 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -66.04 152.91 43.61 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 120.977 1.717 . . . . 10.0 112.745 175.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.64 -6.11 1.34 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.568 2.347 . . . . 10.0 113.263 169.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.7 m -52.29 -45.47 65.51 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.947 2.099 . . . . 10.0 115.623 -168.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.61 -19.05 5.07 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 123.71 0.671 . . . . 10.0 112.669 170.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mt -58.5 -26.9 63.95 Favored 'General case' 0 C--O 1.224 -0.269 0 O-C-N 121.414 -1.051 . . . . 10.0 112.657 170.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.81 -40.24 9.44 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.315 1.446 . . . . 10.0 114.184 171.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.63 -54.08 44.92 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.784 1.234 . . . . 10.0 112.659 173.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.418 ' CD1' HG21 ' B' ' 76' ' ' VAL . 5.9 mt -64.47 -35.43 74.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 124.101 0.96 . . . . 10.0 109.433 -177.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -64.03 -53.33 51.56 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 126.011 1.724 . . . . 10.0 110.126 175.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.7 ptt-85 -61.97 -38.18 87.57 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 119.597 1.089 . . . . 10.0 112.489 175.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.99 -19.87 63.27 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.514 1.126 . . . . 10.0 113.895 177.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.8 mt -111.91 14.86 20.94 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.039 1.335 . . . . 10.0 112.675 171.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.76 17.57 60.66 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.76 1.172 . . . . 10.0 114.585 177.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.417 HG23 HG23 ' B' ' 95' ' ' THR 0.307 19.9 mt -51.98 -50.73 76.72 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 119.048 1.424 . . . . 10.0 112.846 -170.445 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -54.74 -27.46 52.25 Favored 'Trans proline' 0 CA--C 1.552 1.421 0 C-N-CA 123.838 3.025 . . . . 10.0 116.47 170.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.09 -40.78 26.88 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.408 1.004 . . . . 10.0 110.568 172.366 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.6 mt -59.76 -32.95 71.05 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.297 -0.877 . . . . 10.0 112.818 170.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.473 0.713 0 C-N-CA 127.021 2.128 . . . . 10.0 110.705 169.748 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.448 -0.551 0 N-CA-C 106.636 -1.616 . . . . 10.0 106.636 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -90.02 -7.56 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 C-N-CA 125.235 1.414 . . . . 10.0 112.76 177.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 42.5 p -112.61 11.23 0.08 OUTLIER Pre-proline 0 CA--C 1.549 0.938 0 N-CA-C 117.941 2.571 . . . . 10.0 117.941 174.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -63.77 -18.95 66.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 CA-C-N 124.335 2.584 . . . . 10.0 114.16 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 31.6 p -84.88 -51.35 6.8 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.816 1.646 . . . . 10.0 112.004 169.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.92 -25.03 18.35 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.882 1.673 . . . . 10.0 112.747 172.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 58.7 tp -55.14 -32.94 62.48 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.87 2.068 . . . . 10.0 112.542 169.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -90.4 -56.0 3.38 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.728 -0.842 . . . . 10.0 108.728 168.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.56 -60.42 2.43 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 115.013 1.486 . . . . 10.0 115.013 -169.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 tp -69.46 -32.0 70.65 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.589 0.631 . . . . 10.0 110.121 -175.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.459 HD12 HD22 ' A' ' 16' ' ' LEU . 23.1 tp -58.59 -57.63 12.14 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 117.439 -1.267 . . . . 10.0 110.652 169.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 27.7 ptt-85 -61.65 -36.86 82.01 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 121.07 1.759 . . . . 10.0 112.647 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' THR . . . . . 0.425 HG21 ' HA ' ' B' ' 76' ' ' VAL . 1.0 OUTLIER -60.49 -20.44 60.06 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.219 2.208 . . . . 10.0 115.049 179.405 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.43 ' CD2' ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -119.57 -16.98 8.79 Favored 'General case' 0 C--N 1.345 0.405 0 N-CA-C 114.432 1.271 . . . . 10.0 114.432 171.597 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -31.09 72.15 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-O 118.054 -0.974 . . . . 10.0 109.306 167.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 5.4 p -77.61 130.88 72.5 Favored Pre-proline 0 CA--C 1.542 0.657 0 N-CA-C 104.042 -2.577 . . . . 10.0 104.042 167.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.31 152.66 61.32 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 N-CA-C 116.487 1.687 . . . . 10.0 116.487 -167.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 2.5 m -52.05 -21.8 3.5 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 128.656 2.782 . . . . 10.0 115.735 -170.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 29.7 t -47.82 -72.12 0.15 Allowed Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.498 1.519 . . . . 10.0 113.277 -176.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -78.87 -28.05 4.3 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 CA-C-N 121.802 1.679 . . . . 10.0 110.705 168.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -68.79 -7.06 30.63 Favored 'General case' 0 C--N 1.343 0.299 0 N-CA-C 115.054 1.501 . . . . 10.0 115.054 -171.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -22.75 3.91 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 127.103 2.161 . . . . 10.0 113.451 169.087 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -64.1 171.03 3.18 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 115.772 1.768 . . . . 10.0 115.772 -176.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -47.24 -24.2 0.68 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 127.906 2.482 . . . . 10.0 113.875 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -53.41 -37.6 62.68 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 117.522 -1.228 . . . . 10.0 114.165 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.425 ' HA ' HG21 ' B' ' 63' ' ' THR . 2.6 t -66.81 -52.31 46.24 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.563 0 CA-C-N 119.399 1.0 . . . . 10.0 108.83 175.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.414 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 1.2 tt -60.14 -37.62 80.63 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 124.309 1.006 . . . . 10.0 110.672 -173.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -62.88 -32.08 73.26 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.15 1.78 . . . . 10.0 113.618 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.0 mt -88.03 -44.47 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 CA-C-N 119.492 1.042 . . . . 10.0 109.401 173.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.414 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 7.8 mt -40.54 -60.3 1.15 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 127.515 2.326 . . . . 10.0 112.709 174.26 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -10.17 26.2 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.681 1.363 . . . . 10.0 114.681 -170.467 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 54.4 p -80.91 -19.45 44.28 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.212 1.405 . . . . 10.0 114.546 177.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -114.96 104.02 54.33 Favored Pre-proline 0 N--CA 1.468 0.473 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 169.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -58.35 -42.82 51.96 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 122.259 1.972 . . . . 10.0 112.509 -174.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -71.02 -42.05 70.06 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 117.698 -1.144 . . . . 10.0 111.867 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.38 -43.26 99.17 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.252 0.933 . . . . 10.0 109.387 170.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 6.0 ttt -60.58 -46.8 88.86 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.867 1.212 . . . . 10.0 112.555 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.01 99.47 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.809 -0.557 . . . . 10.0 112.054 172.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.56 -35.48 81.1 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.397 0.679 . . . . 10.0 112.764 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.443 ' CE1' HD22 ' A' ' 17' ' ' LEU . 50.0 t80 -60.05 -60.79 3.26 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 125.044 1.337 . . . . 10.0 108.844 170.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 82.0 mt -47.07 -55.04 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.491 1.116 . . . . 10.0 110.698 177.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -53.68 45.66 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 114.327 1.232 . . . . 10.0 114.327 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -32.48 73.38 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 119.951 1.25 . . . . 10.0 110.272 -177.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -64.3 -48.24 76.43 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 120.645 1.566 . . . . 10.0 111.104 171.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' THR . . . . . 0.417 HG23 HG23 ' A' ' 34' ' ' ILE . 75.1 p -60.5 -42.52 96.51 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.681 1.128 . . . . 10.0 111.289 175.273 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.14 -51.95 66.12 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.768 1.227 . . . . 10.0 112.027 171.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -46.36 -50.46 16.41 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.742 2.017 . . . . 10.0 110.84 170.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -62.59 -65.1 0.74 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.083 -0.96 . . . . 10.0 111.146 174.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 20.1 m . . . . . 0 N--CA 1.476 0.874 0 CA-C-N 120.836 1.653 . . . . 10.0 114.232 -170.456 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.199 -0.905 . . . . 10.0 111.541 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -40.44 96.16 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.731 1.151 . . . . 10.0 112.837 -178.154 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.53 -40.89 76.62 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.5 0.72 . . . . 10.0 112.093 174.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.3 mt -60.48 -51.08 71.0 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.153 0.433 . . . . 10.0 110.774 173.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.3 tp -54.61 -43.36 72.13 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 128.711 2.804 . . . . 10.0 110.448 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -60.26 -53.49 57.09 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.058 0.943 . . . . 10.0 113.102 172.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -64.29 -34.11 77.37 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.826 1.194 . . . . 10.0 111.996 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.49 -53.58 45.9 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 118.114 -0.946 . . . . 10.0 110.882 175.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -68.17 -23.83 64.9 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 120.286 1.403 . . . . 10.0 112.3 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.6 m -64.61 -57.05 10.16 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 118.329 -0.843 . . . . 10.0 109.781 169.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tp -47.54 -53.93 13.08 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.797 0.726 . . . . 10.0 110.8 172.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.624 HD12 HD22 ' B' ' 64' ' ' LEU . 1.5 tp -70.17 0.13 6.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 126.099 1.759 . . . . 10.0 115.196 -177.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.2 p -143.33 9.2 1.63 Allowed 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 115.306 1.595 . . . . 10.0 115.306 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -41.38 -11.4 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.072 1 C-N-CA 133.739 4.816 . . . . 10.0 119.719 -170.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.7 p 117.29 -29.61 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.31 1 C-N-CA 133.058 4.543 . . . . 10.0 113.441 -178.131 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.79 -49.86 69.91 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 120.623 1.556 . . . . 10.0 113.462 -170.455 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 55.57 -19.26 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 128.479 2.712 . . . . 10.0 116.756 -174.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.1 p -39.53 -59.5 1.1 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 129.571 3.148 . . . . 10.0 115.575 -168.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.05 -20.23 16.81 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 123.957 0.789 . . . . 10.0 114.108 174.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mp -59.44 -27.76 66.36 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 117.285 0.542 . . . . 10.0 110.89 172.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -40.68 -59.05 1.47 Allowed 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 127.406 2.283 . . . . 10.0 113.512 172.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -50.81 -48.71 59.6 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.465 1.029 . . . . 10.0 112.441 174.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.1 mm -60.44 -43.7 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 124.975 1.31 . . . . 10.0 110.078 177.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -62.24 -46.05 90.57 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.211 1.404 . . . . 10.0 112.019 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -69.59 -34.82 74.66 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 119.243 0.929 . . . . 10.0 111.279 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.91 -19.94 33.51 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.654 0.983 . . . . 10.0 113.654 169.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.445 HD21 ' HE1' ' B' ' 87' ' ' MET . 31.9 mt -108.56 9.04 27.44 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.11 2.164 . . . . 10.0 112.556 171.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 65.97 15.47 62.69 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 125.796 1.665 . . . . 10.0 114.484 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.279 67.6 mt -54.59 -58.62 13.34 Favored Pre-proline 0 CA--C 1.548 0.883 0 CA-C-N 119.882 1.841 . . . . 10.0 113.012 -171.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -55.42 -33.86 87.19 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 122.485 2.124 . . . . 10.0 113.88 174.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 mp0 -70.77 -42.01 70.97 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.982 1.313 . . . . 10.0 111.56 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.57 -33.04 74.98 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.538 1.935 . . . . 10.0 111.849 170.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.469 0.521 0 C-N-CA 124.754 1.222 . . . . 10.0 110.609 169.768 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.228 -0.065 0 N-CA-C 103.767 -2.679 . . . . 10.0 103.767 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.521 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.1 OUTLIER -89.88 -8.8 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 118.531 0.605 . . . . 10.0 111.079 -176.516 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 88.7 p -92.19 -3.56 0.1 OUTLIER Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 119.776 3.25 . . . . 10.0 119.776 175.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -67.38 -20.3 48.6 Favored 'Trans proline' 0 C--N 1.354 0.86 0 CA-C-N 125.48 2.993 . . . . 10.0 112.731 -174.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 73.3 p -90.14 -36.53 14.77 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 118.902 0.774 . . . . 10.0 112.206 168.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.07 -28.79 69.33 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.52 1.055 . . . . 10.0 111.746 170.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.44 -25.28 65.86 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 128.089 2.555 . . . . 10.0 113.15 169.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -89.7 -60.44 1.94 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 121.988 0.899 . . . . 10.0 109.658 169.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.71 -37.46 19.36 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 118.759 2.874 . . . . 10.0 118.759 -166.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.44 -34.84 31.24 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.693 0.679 . . . . 10.0 109.422 175.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.75 -59.41 5.07 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.494 1.118 . . . . 10.0 110.615 170.121 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 37.8 ptt85 -59.43 -33.22 70.99 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-N 120.448 1.476 . . . . 10.0 112.139 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 13.7 m -65.05 -22.38 66.97 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.815 1.646 . . . . 10.0 114.781 178.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.624 HD22 HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -118.42 -12.51 9.85 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.993 1.27 . . . . 10.0 113.67 172.384 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -65.89 -38.03 87.69 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 106.721 -1.585 . . . . 10.0 106.721 167.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 11.6 p -72.88 136.81 79.8 Favored Pre-proline 0 CA--C 1.551 0.989 0 N-CA-C 104.973 -2.232 . . . . 10.0 104.973 167.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -74.71 152.36 42.24 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 N-CA-C 115.928 1.472 . . . . 10.0 115.928 -168.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 8.9 m -51.85 -2.2 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 129.912 3.285 . . . . 10.0 116.542 -176.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.3 t -71.89 -74.86 0.13 Allowed Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 120.19 1.359 . . . . 10.0 110.539 177.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -67.87 -28.72 35.84 Favored 'Trans proline' 0 C--N 1.352 0.738 0 CA-C-N 121.611 1.611 . . . . 10.0 111.534 169.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -74.48 -0.02 16.17 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.094 1.146 . . . . 10.0 114.094 -177.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -51.03 -35.05 32.29 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.65 1.58 . . . . 10.0 112.47 169.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -69.71 162.68 27.27 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.907 1.283 . . . . 10.0 112.738 -170.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -52.8 -2.55 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 128.637 2.775 . . . . 10.0 115.957 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.53 -24.09 66.39 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 120.67 1.577 . . . . 10.0 112.805 172.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.61 -52.69 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 107.825 -1.176 . . . . 10.0 107.825 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.32 -41.52 84.72 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.873 1.269 . . . . 10.0 110.858 -173.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -60.18 -31.98 70.63 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.262 1.025 . . . . 10.0 113.616 175.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 62.9 mt -89.87 -42.32 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 119.743 1.156 . . . . 10.0 110.394 176.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 mt -40.35 -52.51 2.69 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.808 2.443 . . . . 10.0 112.225 172.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -56.93 -19.91 20.56 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.02 1.118 . . . . 10.0 114.02 -177.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 84.8 p -78.73 -16.84 56.74 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.805 1.409 . . . . 10.0 114.805 -177.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -122.03 102.79 40.32 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 108.141 -1.059 . . . . 10.0 108.141 171.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -59.93 -37.63 84.22 Favored 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 123.443 2.762 . . . . 10.0 112.944 -176.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -64.62 -48.32 75.33 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.307 1.043 . . . . 10.0 110.147 176.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -40.36 95.39 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.424 1.089 . . . . 10.0 110.09 177.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' MET . . . . . 0.445 ' HE1' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -58.65 -51.52 69.6 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.074 0.95 . . . . 10.0 112.099 173.718 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.94 96.52 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 119.19 -0.433 . . . . 10.0 111.704 175.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.61 -36.77 83.84 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 123.652 0.781 . . . . 10.0 112.173 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -62.17 -60.56 3.42 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.778 1.231 . . . . 10.0 108.601 169.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 82.7 mt -48.03 -43.99 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 120.602 1.546 . . . . 10.0 111.966 176.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -67.94 -60.25 2.65 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 113.752 1.019 . . . . 10.0 113.752 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -24.89 66.16 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.937 1.244 . . . . 10.0 111.902 -175.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -71.18 -51.2 26.17 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.135 1.374 . . . . 10.0 112.269 169.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 14.9 p -54.09 -44.43 71.2 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.615 0.643 . . . . 10.0 111.307 172.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.52 -53.28 59.37 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.303 1.841 . . . . 10.0 113.295 173.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -43.34 -52.04 6.05 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.872 1.669 . . . . 10.0 110.612 171.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -63.89 -61.33 2.35 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 117.036 -1.459 . . . . 10.0 111.966 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 32.5 m . . . . . 0 N--CA 1.481 1.114 0 CA-C-N 120.926 1.694 . . . . 10.0 113.765 -174.682 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.429 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 30.7 tp10 . . . . . 0 C--O 1.217 -0.648 0 CA-C-O 118.208 -0.901 . . . . 10.0 111.005 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -46.05 91.93 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.137 0.881 . . . . 10.0 112.445 -174.351 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.77 -38.09 85.9 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 118.357 -0.83 . . . . 10.0 112.28 175.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.516 HD22 ' C ' ' A' ' 9' ' ' LEU 0.405 0.0 OUTLIER -76.88 -34.85 57.75 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.675 1.125 . . . . 10.0 111.612 -179.731 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.5 tp -54.52 -46.69 73.58 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 128.063 2.545 . . . . 10.0 109.474 169.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -56.44 -56.53 20.08 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 113.87 1.063 . . . . 10.0 113.87 173.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.403 ' HG3' ' HA ' ' A' ' 9' ' ' LEU . 2.7 pp0? -65.33 -24.72 67.34 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.695 0.998 . . . . 10.0 113.695 177.138 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.4 tp -79.74 -41.32 26.91 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.064 0.847 . . . . 10.0 112.075 178.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -70.09 -29.45 66.43 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.271 1.396 . . . . 10.0 111.451 171.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.9 m -60.81 -55.71 29.87 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.226 1.011 . . . . 10.0 110.652 169.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.458 HD22 HD12 ' B' ' 61' ' ' LEU . 6.5 tp -48.32 -51.59 25.38 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 123.991 0.916 . . . . 10.0 110.755 174.473 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.533 HD22 ' CE1' ' B' ' 90' ' ' PHE . 10.7 mt -65.24 -18.42 65.3 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 115.173 1.545 . . . . 10.0 115.173 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 m -126.17 14.88 7.84 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.391 0.996 . . . . 10.0 112.86 -169.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -56.05 -7.84 0.39 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 130.742 3.617 . . . . 10.0 116.576 -169.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.1 p 115.94 -17.92 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.25 1 C-N-CA 134.443 5.097 . . . . 10.0 112.585 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -63.42 153.97 33.6 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-O 123.13 1.443 . . . . 10.0 113.199 171.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.51 1.28 1.04 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.773 2.029 . . . . 10.0 113.12 169.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 m -47.08 -59.94 2.8 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 115.898 1.814 . . . . 10.0 115.898 -168.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.77 -14.26 14.38 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 123.221 0.439 . . . . 10.0 112.374 169.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.0 mt -57.42 -26.67 61.49 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 117.9 -1.048 . . . . 10.0 112.404 169.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -46.79 -37.34 8.45 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 117.954 -1.022 . . . . 10.0 111.874 169.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.1 -53.42 55.71 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 119.539 1.063 . . . . 10.0 112.749 175.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.9 mm -69.26 -29.56 42.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 N-CA-C 108.514 -0.921 . . . . 10.0 108.514 -174.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.59 -53.31 29.2 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.77 1.228 . . . . 10.0 110.997 171.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.6 ptt85 -63.18 -37.19 86.26 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.046 1.293 . . . . 10.0 112.528 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.13 -20.02 37.15 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.835 1.254 . . . . 10.0 113.463 172.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.1 mt -117.94 12.85 13.86 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.783 1.633 . . . . 10.0 111.821 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.99 9.14 52.88 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.579 1.561 . . . . 10.0 115.985 176.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.2 mt -50.84 -45.8 87.06 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-O 117.224 -1.37 . . . . 10.0 113.924 -169.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -58.13 -21.19 49.96 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 122.924 2.416 . . . . 10.0 114.847 175.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -90.62 -32.15 16.37 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.206 0.912 . . . . 10.0 111.806 169.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.6 mt -60.65 -28.14 68.34 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.867 1.212 . . . . 10.0 112.126 170.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.6 t . . . . . 0 N--CA 1.468 0.453 0 C-N-CA 126.431 1.892 . . . . 10.0 109.964 168.674 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 86.6 p . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 106.323 -1.732 . . . . 10.0 106.323 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.446 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.1 OUTLIER -90.59 -5.07 10.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 124.35 1.06 . . . . 10.0 112.366 179.519 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 53' ' ' SER . . . . . 0.404 ' HB3' HD22 ' B' ' 83' ' ' ASN . 71.9 p -116.54 12.18 0.07 OUTLIER Pre-proline 0 N--CA 1.478 0.934 0 N-CA-C 118.25 2.685 . . . . 10.0 118.25 176.476 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -65.31 -19.91 61.93 Favored 'Trans proline' 0 CA--C 1.548 1.18 0 CA-C-N 125.47 2.989 . . . . 10.0 112.777 175.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.5 p -80.1 -55.03 5.23 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 127.004 2.122 . . . . 10.0 110.91 169.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.81 -26.09 61.49 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.544 1.538 . . . . 10.0 113.616 173.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.06 -30.49 66.22 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 127.657 2.383 . . . . 10.0 112.093 169.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -90.67 -60.11 2.0 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.409 0.684 . . . . 10.0 109.251 169.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' ASP . . . . . 0.46 ' CG ' HH21 ' B' ' 62' ' ' ARG . 0.9 OUTLIER -80.09 -40.72 26.98 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 117.194 2.294 . . . . 10.0 117.194 -168.476 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 tt -74.95 -38.74 61.65 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.0 -1.111 . . . . 10.0 108.0 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.458 HD12 HD22 ' A' ' 16' ' ' LEU . 27.9 tp -53.74 -53.92 45.39 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 124.526 1.131 . . . . 10.0 109.959 169.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.46 HH21 ' CG ' ' B' ' 59' ' ' ASP . 16.3 ttp85 -52.57 -48.67 66.05 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.993 1.717 . . . . 10.0 112.126 171.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' THR . . . . . 0.492 HG23 ' NE2' ' B' ' 75' ' ' GLN . 1.0 OUTLIER -58.98 -20.95 57.46 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 127.395 2.278 . . . . 10.0 115.41 -178.739 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.442 ' CD2' ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -117.14 -20.34 9.31 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.686 1.365 . . . . 10.0 114.686 171.392 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -58.4 -39.1 78.78 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 107.337 -1.357 . . . . 10.0 107.337 167.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 6.3 p -73.63 108.76 5.25 Favored Pre-proline 0 CA--C 1.55 0.966 0 N-CA-C 102.491 -3.152 . . . . 10.0 102.491 166.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.86 148.06 69.3 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 122.43 2.087 . . . . 10.0 117.266 -167.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 10.3 p -55.81 -26.33 45.85 Favored 'General case' 0 C--O 1.219 -0.543 0 C-N-CA 125.039 1.336 . . . . 10.0 113.724 -173.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 40.5 t -49.7 -67.88 0.4 Allowed Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.058 1.343 . . . . 10.0 112.703 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.99 -23.18 25.49 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 CA-C-N 121.714 1.648 . . . . 10.0 112.869 169.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -90.17 15.04 11.01 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.937 1.829 . . . . 10.0 115.937 -171.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -46.56 -27.29 1.08 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 128.739 2.815 . . . . 10.0 115.643 175.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -64.27 165.31 9.68 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 122.961 1.362 . . . . 10.0 112.942 -175.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -55.54 -1.65 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.292 2.237 . . . . 10.0 115.193 173.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' GLN . . . . . 0.492 ' NE2' HG23 ' B' ' 63' ' ' THR . 2.3 pp0? -55.26 -31.82 61.85 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 120.059 1.299 . . . . 10.0 114.193 172.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.479 ' HA ' HG21 ' B' ' 63' ' ' THR . 2.5 t -68.53 -51.11 49.95 Favored 'Isoleucine or valine' 0 C--N 1.348 0.5 0 N-CA-C 107.8 -1.185 . . . . 10.0 107.8 173.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.418 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 0.8 OUTLIER -60.06 -37.97 81.44 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.995 0.918 . . . . 10.0 110.504 -173.057 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -64.07 -28.38 69.74 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 124.896 1.278 . . . . 10.0 114.05 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.3 mt -90.5 -43.33 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 119.986 1.266 . . . . 10.0 110.056 172.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.418 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 6.0 mt -40.29 -56.74 1.9 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.924 2.49 . . . . 10.0 112.674 173.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -13.22 21.78 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.491 1.293 . . . . 10.0 114.491 -172.006 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 83.3 p -76.78 -21.52 55.05 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.205 1.187 . . . . 10.0 114.205 175.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ASN . . . . . 0.404 HD22 ' HB3' ' B' ' 53' ' ' SER . 37.4 t-20 -117.2 100.87 53.26 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 119.61 1.095 . . . . 10.0 109.816 173.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -57.61 -40.61 78.8 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.491 2.794 . . . . 10.0 113.291 -175.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -74.04 -38.38 64.01 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 118.116 -0.945 . . . . 10.0 112.335 -178.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.05 -36.96 86.0 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 124.293 1.037 . . . . 10.0 109.473 170.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -51.51 69.22 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 119.722 1.146 . . . . 10.0 112.703 172.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.51 97.7 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.624 0.647 . . . . 10.0 112.26 175.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.71 87.79 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 118.224 -0.893 . . . . 10.0 112.688 175.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.533 ' CE1' HD22 ' A' ' 17' ' ' LEU . 65.6 t80 -57.29 -60.96 2.84 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 125.239 1.416 . . . . 10.0 108.418 169.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 91.8 mt -51.15 -51.12 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 118.733 0.697 . . . . 10.0 110.952 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -61.0 -60.1 4.32 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 124.142 0.977 . . . . 10.0 112.4 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -32.45 72.99 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 117.163 -1.399 . . . . 10.0 110.383 -174.016 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -60.82 -48.08 83.41 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 121.864 2.12 . . . . 10.0 110.471 169.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 3.1 m -58.31 -45.8 87.33 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.248 0.476 . . . . 10.0 111.591 176.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.82 92.15 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.763 1.225 . . . . 10.0 112.716 173.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -47.67 65.65 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 125.189 1.396 . . . . 10.0 110.11 173.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -58.14 -60.43 3.76 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 118.613 0.642 . . . . 10.0 111.62 176.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 32.8 m . . . . . 0 N--CA 1.479 0.98 0 CA-C-N 119.671 1.123 . . . . 10.0 113.647 -175.952 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 . . . . . 0 N--CA 1.468 0.435 0 CA-C-O 118.389 -0.815 . . . . 10.0 111.82 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -67.05 -48.0 69.61 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 118.913 -1.115 . . . . 10.0 110.349 -170.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.76 95.76 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 118.459 -0.782 . . . . 10.0 112.767 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.402 HD22 ' C ' ' A' ' 9' ' ' LEU 0.35 0.0 OUTLIER -77.08 -32.6 56.8 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.803 1.183 . . . . 10.0 110.696 -179.482 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 tp -61.55 -47.73 84.21 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 119.602 1.092 . . . . 10.0 111.04 169.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.414 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 42.5 m-20 -57.68 -52.34 65.82 Favored 'General case' 0 C--O 1.241 0.605 0 N-CA-C 112.894 0.701 . . . . 10.0 112.894 173.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -29.17 68.21 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 118.947 0.794 . . . . 10.0 113.073 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -74.29 -46.35 41.82 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 117.041 -1.457 . . . . 10.0 110.956 174.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.414 ' CD2' ' HA ' ' A' ' 11' ' ' ASP . 3.4 p80 -67.43 -28.51 67.95 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 121.459 1.936 . . . . 10.0 111.376 178.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.8 m -60.38 -57.54 12.34 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.953 0.901 . . . . 10.0 109.642 169.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 tp -50.27 -55.28 16.05 Favored 'General case' 0 C--O 1.23 0.062 0 CA-C-N 118.636 0.653 . . . . 10.0 111.533 173.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.5 HD12 ' HG ' ' B' ' 64' ' ' LEU . 4.5 tp -67.78 -10.53 53.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.261 1.424 . . . . 10.0 112.807 -172.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.6 p -133.65 6.58 3.76 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 116.086 1.884 . . . . 10.0 116.086 -177.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.7 p30 -39.73 0.92 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.071 1 C-N-CA 135.655 5.582 . . . . 10.0 121.221 -168.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.0 p 116.7 -25.7 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.295 1 C-N-CA 132.668 4.387 . . . . 10.0 112.367 176.356 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.47 161.13 12.33 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 123.623 1.678 . . . . 10.0 112.995 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.24 -9.58 1.13 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 127.08 2.152 . . . . 10.0 112.749 169.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.8 m -51.21 -43.47 61.42 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 126.158 1.783 . . . . 10.0 115.336 -169.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.93 -18.67 3.83 Favored Glycine 0 CA--C 1.536 1.348 0 CA-C-O 119.252 -0.749 . . . . 10.0 113.189 169.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.43 -27.04 67.18 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.276 1.038 . . . . 10.0 112.761 169.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -40.6 -54.34 2.56 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.164 1.786 . . . . 10.0 113.711 170.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.411 ' HA ' ' HG2' ' A' ' 30' ' ' ARG . 5.0 tt0 -62.66 -42.31 99.54 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 126.173 1.789 . . . . 10.0 112.648 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.5 mm -63.99 -41.36 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 118.101 0.409 . . . . 10.0 110.928 170.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -64.43 -48.8 73.98 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.094 0.958 . . . . 10.0 110.918 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.411 ' HG2' ' HA ' ' A' ' 27' ' ' GLU . 11.4 ptt85 -66.0 -34.6 78.47 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 117.952 -1.023 . . . . 10.0 112.928 176.182 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.57 -19.94 42.54 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.532 1.06 . . . . 10.0 112.942 170.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.8 mt -117.15 14.2 14.85 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.247 1.819 . . . . 10.0 112.049 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.38 13.43 43.81 Favored Glycine 0 CA--C 1.535 1.321 0 N-CA-C 115.858 1.103 . . . . 10.0 115.858 177.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.7 mt -58.53 -41.13 87.46 Favored Pre-proline 0 N--CA 1.475 0.785 0 CA-C-N 119.258 1.529 . . . . 10.0 113.536 -169.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -58.83 -26.94 82.46 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.524 2.149 . . . . 10.0 114.77 169.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -44.18 34.14 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.013 -1.054 . . . . 10.0 110.622 169.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.1 mt -51.32 -33.65 30.09 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.721 0.691 . . . . 10.0 112.151 170.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.5 t . . . . . 0 CA--C 1.544 0.726 0 C-N-CA 123.515 0.726 . . . . 10.0 110.474 169.033 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 59.6 m . . . . . 0 CA--C 1.531 0.227 0 N-CA-C 104.581 -2.378 . . . . 10.0 104.581 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.88 8.16 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 O-C-N 121.259 -0.9 . . . . 10.0 112.143 -173.154 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 11.7 p -131.28 5.8 0.04 OUTLIER Pre-proline 0 CA--C 1.554 1.118 0 N-CA-C 117.805 2.52 . . . . 10.0 117.805 -175.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -65.19 -18.02 60.1 Favored 'Trans proline' 0 C--N 1.355 0.904 0 CA-C-N 125.405 2.966 . . . . 10.0 113.07 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 15.7 p -77.46 -49.32 15.05 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 126.071 1.748 . . . . 10.0 111.169 169.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.05 -30.29 67.93 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.997 1.319 . . . . 10.0 112.369 171.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 29.6 tp -57.31 -22.77 44.25 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.83 1.252 . . . . 10.0 111.883 169.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -91.42 -60.02 1.99 Allowed 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.012 0.823 . . . . 10.0 109.314 169.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.02 -39.22 19.9 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 117.794 2.516 . . . . 10.0 117.794 -168.617 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 tp -76.72 -33.43 58.18 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.583 -0.698 . . . . 10.0 110.258 175.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 tp -57.89 -59.91 4.52 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 117.369 -1.3 . . . . 10.0 110.807 171.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 50.2 ptt85 -55.81 -35.34 66.22 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 120.899 1.681 . . . . 10.0 112.506 176.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 8.8 m -66.19 -25.16 66.8 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.951 2.1 . . . . 10.0 113.89 -176.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.5 ' HG ' HD12 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -113.43 -21.26 10.96 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.042 1.337 . . . . 10.0 112.191 175.039 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.21 -29.79 70.63 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.878 -1.058 . . . . 10.0 110.724 168.052 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 6.9 p -84.27 110.96 30.17 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 102.585 -3.117 . . . . 10.0 102.585 166.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -65.79 170.74 10.88 Favored 'Trans proline' 0 C--N 1.35 0.611 0 N-CA-C 115.668 1.372 . . . . 10.0 115.668 -169.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 3.0 m -50.71 -18.68 0.76 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 128.293 2.637 . . . . 10.0 115.371 -170.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 56.4 p -49.03 114.46 3.82 Favored Pre-proline 0 CA--C 1.529 0.143 0 C-N-CA 127.034 2.134 . . . . 10.0 108.431 168.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . 0.343 1.7 Cg_exo 42.13 -10.26 0.0 OUTLIER 'Trans proline' 0 CA--C 1.544 1.023 1 C-N-CA 125.754 4.303 . . . . 10.0 121.037 -167.896 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -72.53 -10.38 59.73 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.063 1.745 . . . . 10.0 112.277 169.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -43.92 -12.64 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 130.67 3.588 . . . . 10.0 118.902 175.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.89 -174.49 2.59 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.539 1.311 . . . . 10.0 114.539 -169.156 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -48.31 -14.8 0.06 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 128.513 2.725 . . . . 10.0 116.948 -169.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -24.63 65.57 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 123.313 2.779 . . . . 10.0 113.324 169.469 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -70.61 -54.6 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 120.468 1.485 . . . . 10.0 107.729 169.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -35.96 74.65 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.283 1.433 . . . . 10.0 112.232 -172.423 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -65.14 -33.29 75.67 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 125.431 1.492 . . . . 10.0 112.81 176.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 29.7 mt -86.38 -45.6 16.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 119.735 1.152 . . . . 10.0 109.232 175.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.5 mt -39.37 -53.88 1.94 Allowed 'General case' 0 C--N 1.355 0.805 0 C-N-CA 127.933 2.493 . . . . 10.0 112.37 175.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -59.19 -19.89 49.18 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.747 1.388 . . . . 10.0 114.747 -176.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 63.3 p -78.04 -9.23 59.03 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 113.923 1.083 . . . . 10.0 113.923 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -129.87 75.22 79.86 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 119.048 0.84 . . . . 10.0 110.514 -171.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -41.41 -56.59 1.74 Allowed 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 125.179 3.92 . . . . 10.0 115.731 -169.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -61.6 -42.48 98.93 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.43 0.9 . . . . 10.0 113.43 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.0 -41.47 98.1 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.37 1.068 . . . . 10.0 110.88 173.077 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -53.74 54.88 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.353 0.661 . . . . 10.0 111.108 175.156 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.7 95.08 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.043 0.386 . . . . 10.0 112.043 175.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.26 98.56 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 118.499 -0.762 . . . . 10.0 112.867 175.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.471 ' CD1' ' HG ' ' A' ' 17' ' ' LEU . 68.3 t80 -56.95 -58.83 6.44 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 117.182 -1.389 . . . . 10.0 108.736 169.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 77.9 mt -48.85 -58.55 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 119.702 1.137 . . . . 10.0 110.282 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.494 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.0 OUTLIER -54.77 -57.25 12.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.649 1.179 . . . . 10.0 112.146 -179.131 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -36.58 81.65 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 118.183 -0.913 . . . . 10.0 111.503 -176.393 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -55.28 -50.0 70.67 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 120.656 1.571 . . . . 10.0 110.592 169.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -57.98 -44.19 86.96 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.149 0.886 . . . . 10.0 111.67 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.89 -44.71 95.35 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.188 0.995 . . . . 10.0 112.538 176.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -44.66 73.56 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.396 1.478 . . . . 10.0 110.515 172.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -59.11 -59.24 5.79 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-O 118.275 -0.869 . . . . 10.0 111.826 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 21.2 m . . . . . 0 CA--C 1.545 0.786 0 CA-C-N 119.466 1.03 . . . . 10.0 113.472 -178.228 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 118.653 -0.689 . . . . 10.0 112.418 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.71 -42.73 67.0 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 119.449 -0.9 . . . . 10.0 111.5 -172.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.56 95.06 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 118.694 -0.67 . . . . 10.0 112.167 175.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.568 HD22 ' C ' ' A' ' 9' ' ' LEU 0.381 0.0 OUTLIER -72.62 -39.58 67.15 Favored 'General case' 0 C--N 1.348 0.523 0 CA-C-O 118.113 -0.946 . . . . 10.0 110.755 179.903 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.0 tp -54.81 -48.76 72.36 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.889 1.676 . . . . 10.0 110.575 171.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.4 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 42.3 m-20 -58.21 -55.1 39.37 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 113.439 0.903 . . . . 10.0 113.439 175.385 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.409 ' HG3' ' HA ' ' A' ' 9' ' ' LEU . 3.5 pp0? -64.53 -29.37 70.4 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-N 119.468 1.031 . . . . 10.0 113.286 177.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.8 tp -75.96 -41.31 51.81 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 117.931 -1.033 . . . . 10.0 111.403 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.4 ' CD2' ' HA ' ' A' ' 11' ' ' ASP . 5.7 p80 -69.92 -32.57 70.92 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 120.418 1.463 . . . . 10.0 111.542 174.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.8 m -66.54 -31.12 71.63 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 118.482 -0.77 . . . . 10.0 112.403 172.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.416 HD22 HD12 ' B' ' 61' ' ' LEU . 1.3 tp -70.35 -59.77 2.67 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 120.472 1.487 . . . . 10.0 109.923 168.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.416 ' HA ' HD22 ' B' ' 64' ' ' LEU . 8.1 tp -65.47 -8.22 18.17 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.564 1.546 . . . . 10.0 113.256 -169.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.9 t -143.25 30.33 1.41 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.418 1.487 . . . . 10.0 112.89 169.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -40.88 -51.38 3.18 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.449 1.5 . . . . 10.0 112.316 176.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.1 p -154.47 -82.07 0.08 Allowed 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 128.955 2.902 . . . . 10.0 106.799 169.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -151.88 179.85 8.09 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.097 1.359 . . . . 10.0 110.82 177.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.75 163.45 29.58 Favored 'General case' 0 N--CA 1.435 -1.22 0 C-N-CA 127.09 2.156 . . . . 10.0 109.323 168.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 p -59.25 -34.38 72.15 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 130.248 3.419 . . . . 10.0 112.56 174.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.97 -49.32 5.09 Favored Glycine 0 C--N 1.336 0.581 0 N-CA-C 111.425 -0.67 . . . . 10.0 111.425 170.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.9 mt -35.38 -52.9 0.64 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 125.829 1.651 . . . . 10.0 114.6 170.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -57.08 -40.8 77.63 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 121.371 1.896 . . . . 10.0 113.756 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -67.86 -49.22 63.33 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 119.179 0.899 . . . . 10.0 111.303 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.1 mm -57.73 -35.17 49.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 122.785 0.434 . . . . 10.0 111.21 177.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -66.23 -53.6 35.09 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.759 1.224 . . . . 10.0 110.541 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.5 ptt85 -64.84 -32.86 74.76 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.054 -1.029 . . . . 10.0 113.273 176.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.18 -20.13 63.83 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.546 1.138 . . . . 10.0 113.249 170.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.0 mt -110.68 14.91 22.25 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.107 1.763 . . . . 10.0 111.792 172.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.86 12.22 47.22 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 125.306 1.432 . . . . 10.0 115.177 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.0 mt -55.56 -45.74 99.83 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 118.776 1.288 . . . . 10.0 113.368 -169.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -56.72 -19.72 31.96 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.174 2.583 . . . . 10.0 115.201 171.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.9 -41.14 13.4 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 119.23 0.923 . . . . 10.0 110.979 169.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.5 mt -54.41 -28.72 45.69 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 170.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.7 t . . . . . 0 N--CA 1.473 0.679 0 C-N-CA 126.348 1.859 . . . . 10.0 109.823 169.385 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 CA--C 1.534 0.354 0 N-CA-C 103.803 -2.666 . . . . 10.0 103.803 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.839 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.0 OUTLIER -89.79 -1.45 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.27 1.428 . . . . 10.0 113.715 -169.41 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 8.9 p -124.82 4.94 0.05 OUTLIER Pre-proline 0 CA--C 1.551 0.999 0 N-CA-C 118.441 2.756 . . . . 10.0 118.441 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -66.22 -14.51 44.61 Favored 'Trans proline' 0 CA--C 1.548 1.207 0 CA-C-N 125.596 3.034 . . . . 10.0 114.309 178.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 13.3 p -80.6 -53.07 6.88 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.957 1.703 . . . . 10.0 109.686 169.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.3 -26.6 66.64 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 124.316 1.046 . . . . 10.0 112.405 173.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 25.2 tp -55.17 -29.59 58.15 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 126.317 1.847 . . . . 10.0 110.928 169.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -89.64 -58.97 2.34 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.157 0.983 . . . . 10.0 109.462 170.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -82.23 -40.06 22.18 Favored 'General case' 0 C--N 1.344 0.357 0 N-CA-C 117.811 2.523 . . . . 10.0 117.811 -168.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 tp -74.95 -29.55 60.96 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 120.475 1.489 . . . . 10.0 110.262 175.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.416 HD12 HD22 ' A' ' 16' ' ' LEU . 15.0 tp -63.66 -59.47 4.55 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 118.164 -0.922 . . . . 10.0 110.028 169.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.81 -32.8 67.93 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 120.261 1.391 . . . . 10.0 112.129 175.037 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' THR . . . . . 0.508 HG23 ' NE2' ' B' ' 75' ' ' GLN . 5.8 m -60.75 -23.3 64.84 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.089 1.756 . . . . 10.0 115.652 178.073 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -115.17 -23.89 8.77 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 114.175 1.176 . . . . 10.0 114.175 170.145 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -64.52 -37.74 88.59 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.838 0.744 . . . . 10.0 111.031 168.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 58.1 p -77.87 108.42 7.33 Favored Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 103.498 -2.778 . . . . 10.0 103.498 168.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.45 143.76 53.74 Favored 'Trans proline' 0 CA--C 1.511 -0.634 0 C-N-CA 122.351 2.034 . . . . 10.0 116.399 -168.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 4.9 m -67.36 39.77 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 129.066 2.946 . . . . 10.0 114.792 -173.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -87.06 -76.69 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.708 0 C-N-CA 126.418 1.887 . . . . 10.0 108.766 169.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.46 -30.83 6.14 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 CA-C-N 122.952 2.09 . . . . 10.0 109.66 168.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -65.87 1.43 1.38 Allowed 'General case' 0 C--N 1.349 0.581 0 C-N-CA 125.657 1.583 . . . . 10.0 114.612 170.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -56.84 -36.27 69.8 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.188 1.181 . . . . 10.0 114.188 -177.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -78.37 -177.89 5.46 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 123.251 1.5 . . . . 10.0 114.157 -168.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -54.78 -0.86 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 128.954 2.901 . . . . 10.0 114.955 -174.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' GLN . . . . . 0.508 ' NE2' HG23 ' B' ' 63' ' ' THR . 2.3 pp0? -58.03 -27.86 63.94 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 120.5 1.5 . . . . 10.0 112.17 169.426 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.426 ' HA ' HG21 ' B' ' 63' ' ' THR . 2.5 t -67.97 -54.68 20.71 Favored 'Isoleucine or valine' 0 C--N 1.347 0.457 0 N-CA-C 107.973 -1.121 . . . . 10.0 107.973 170.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.407 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 0.4 OUTLIER -59.35 -37.05 76.86 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.58 1.152 . . . . 10.0 112.854 -175.06 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -63.71 -32.59 74.12 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.481 1.913 . . . . 10.0 113.768 175.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 13.5 mt -90.03 -41.92 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 119.537 1.062 . . . . 10.0 109.342 174.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 8.2 mt -39.81 -58.38 1.37 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.378 2.271 . . . . 10.0 112.034 173.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -11.13 46.11 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.87 1.433 . . . . 10.0 114.87 -173.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 52.4 p -78.85 -9.95 59.64 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 124.601 1.16 . . . . 10.0 113.617 173.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -125.39 85.34 58.64 Favored Pre-proline 0 CA--C 1.535 0.397 0 C-N-CA 123.812 0.845 . . . . 10.0 108.751 -172.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -50.07 -52.12 9.56 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 123.581 2.854 . . . . 10.0 114.631 -169.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.414 ' CG ' HD13 ' B' ' 52' ' ' ILE . 0.0 OUTLIER -64.41 -45.95 85.37 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.035 0.934 . . . . 10.0 112.421 178.684 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.56 -34.46 75.86 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.822 0.849 . . . . 10.0 111.607 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 4.6 ttt -63.51 -46.65 85.12 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.51 1.05 . . . . 10.0 110.601 172.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.83 -43.87 94.93 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.401 -0.812 . . . . 10.0 112.098 174.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.25 -36.37 83.44 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.307 0.643 . . . . 10.0 112.363 176.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.412 ' CE1' ' HD3' ' B' ' 94' ' ' ARG . 68.1 t80 -59.32 -60.56 3.67 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 124.737 1.215 . . . . 10.0 108.444 169.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 91.8 mt -51.6 -47.12 37.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 118.837 0.744 . . . . 10.0 110.566 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -61.4 -60.25 4.01 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.097 0.959 . . . . 10.0 113.094 177.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -66.02 -39.98 90.67 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 117.57 -1.205 . . . . 10.0 110.143 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 94' ' ' ARG . . . . . 0.412 ' HD3' ' CE1' ' B' ' 90' ' ' PHE . 12.0 mmm180 -51.04 -49.31 60.79 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 120.647 1.567 . . . . 10.0 111.105 172.314 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.8 m -63.13 -44.68 94.9 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 118.575 -0.726 . . . . 10.0 111.773 175.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.72 87.72 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.299 1.439 . . . . 10.0 113.099 176.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 14.9 tptp -50.49 -57.45 8.05 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.625 1.97 . . . . 10.0 107.486 169.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -57.74 -57.5 12.46 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 117.344 -1.312 . . . . 10.0 113.348 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 31.3 m . . . . . 0 N--CA 1.481 1.107 0 CA-C-N 121.013 1.733 . . . . 10.0 113.787 -170.286 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.519 -0.241 0 N-CA-C 112.485 0.55 . . . . 10.0 112.485 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -64.26 -39.54 94.14 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 120.26 -0.576 . . . . 10.0 111.92 -177.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.14 85.88 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.666 1.187 . . . . 10.0 112.424 174.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.496 HD22 ' C ' ' A' ' 9' ' ' LEU 0.37 0.0 OUTLIER -73.04 -33.28 65.6 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.631 1.105 . . . . 10.0 111.088 -178.187 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.8 tp -61.87 -47.2 86.08 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.072 1.349 . . . . 10.0 111.052 168.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -57.53 -53.37 58.93 Favored 'General case' 0 C--N 1.345 0.379 0 N-CA-C 112.791 0.663 . . . . 10.0 112.791 176.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -62.32 -32.9 73.73 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 118.717 -0.658 . . . . 10.0 112.584 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tp -75.13 -43.16 54.2 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.775 0.716 . . . . 10.0 111.727 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -71.97 -28.59 63.53 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 119.965 1.257 . . . . 10.0 111.735 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.2 m -63.62 -51.4 65.38 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.885 0.874 . . . . 10.0 109.982 169.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.551 HD22 HD12 ' B' ' 61' ' ' LEU . 4.6 tp -51.91 -48.62 64.1 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.339 -0.839 . . . . 10.0 111.914 174.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.531 HD13 ' HG ' ' B' ' 64' ' ' LEU . 4.5 mm? -64.31 -24.47 67.66 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.362 1.245 . . . . 10.0 114.362 176.075 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -117.17 12.9 14.58 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.502 1.297 . . . . 10.0 114.502 -167.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -53.17 -6.81 0.07 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 131.364 3.866 . . . . 10.0 117.17 -170.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.254 46.4 p 116.28 -17.74 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.633 1 C-N-CA 134.114 4.965 . . . . 10.0 112.766 -178.912 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -63.38 154.74 31.0 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 120.987 1.721 . . . . 10.0 112.99 173.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.49 -2.56 0.86 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 127.679 2.392 . . . . 10.0 112.956 169.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.6 m -51.14 -47.43 62.06 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.938 1.695 . . . . 10.0 115.22 -168.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.24 -24.74 3.74 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 123.788 0.709 . . . . 10.0 112.652 170.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.0 mt -52.36 -36.9 54.86 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 124.609 1.163 . . . . 10.0 112.248 171.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -48.43 -41.96 30.87 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 124.298 1.039 . . . . 10.0 113.028 177.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -68.19 -46.68 70.01 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.458 1.026 . . . . 10.0 111.212 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.406 HD13 ' CG2' ' B' ' 76' ' ' VAL . 25.6 mt -60.68 -35.8 66.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 125.447 1.499 . . . . 10.0 111.299 175.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -67.08 -53.35 31.7 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.168 1.787 . . . . 10.0 110.271 177.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -68.55 -27.25 65.92 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 118.255 -0.878 . . . . 10.0 113.111 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.41 -19.94 63.96 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 119.736 1.153 . . . . 10.0 112.727 169.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.2 mt -110.48 15.85 21.91 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.873 2.069 . . . . 10.0 112.433 170.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.77 9.92 53.6 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 126.651 2.072 . . . . 10.0 114.908 173.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.6 mt -53.52 -44.38 97.55 Favored Pre-proline 0 CA--C 1.548 0.886 0 CA-C-O 117.343 -1.313 . . . . 10.0 113.971 -169.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -56.93 -19.64 32.94 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.241 2.627 . . . . 10.0 115.869 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.17 -39.65 13.42 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 119.076 0.853 . . . . 10.0 111.0 170.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.4 mt -54.86 -30.67 58.37 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.847 0.859 . . . . 10.0 111.686 171.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.471 0.585 0 C-N-CA 126.348 1.859 . . . . 10.0 110.229 169.096 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 105.595 -2.002 . . . . 10.0 105.595 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.512 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.8 OUTLIER -89.84 -13.85 9.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-O 120.818 0.342 . . . . 10.0 110.548 -174.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 16.0 p -119.04 13.54 0.07 OUTLIER Pre-proline 0 CA--C 1.549 0.923 0 N-CA-C 117.335 2.346 . . . . 10.0 117.335 -175.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -72.14 -17.12 28.26 Favored 'Trans proline' 0 CA--C 1.548 1.181 0 CA-C-N 124.506 2.645 . . . . 10.0 112.508 -176.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 49.9 p -81.04 -49.14 11.28 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.693 1.197 . . . . 10.0 111.298 169.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.45 -29.07 65.88 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.505 1.522 . . . . 10.0 112.128 171.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 33.4 tp -55.43 -27.68 49.48 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.848 2.059 . . . . 10.0 111.956 169.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.75 -60.41 1.92 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.959 0.904 . . . . 10.0 109.221 168.191 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.47 -47.32 34.01 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 116.894 2.183 . . . . 10.0 116.894 -168.67 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.1 tp -73.77 -36.86 65.13 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.849 0.749 . . . . 10.0 109.658 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.551 HD12 HD22 ' A' ' 16' ' ' LEU . 21.5 tp -57.2 -55.01 40.25 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 124.43 1.092 . . . . 10.0 111.17 171.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 12.6 ttp85 -55.89 -47.61 77.11 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.987 1.715 . . . . 10.0 111.944 172.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' THR . . . . . 0.401 HG23 HE21 ' B' ' 75' ' ' GLN . 16.1 m -53.5 -55.77 22.64 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.215 1.406 . . . . 10.0 112.533 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.531 ' HG ' HD13 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -75.1 -24.14 58.06 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.223 0.823 . . . . 10.0 113.223 177.771 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -60.58 -42.16 96.14 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.153 0.888 . . . . 10.0 111.082 169.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 9.0 p -68.72 108.31 2.82 Favored Pre-proline 0 CA--C 1.551 1.01 0 N-CA-C 107.738 -1.208 . . . . 10.0 107.738 168.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.39 155.6 45.88 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.127 1.884 . . . . 10.0 116.796 -169.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 4.8 m -55.72 16.95 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 130.856 3.662 . . . . 10.0 118.109 -169.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.1 t -78.08 -86.07 0.02 OUTLIER Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 120.66 1.573 . . . . 10.0 110.756 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -69.84 -14.52 35.93 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 CA-C-N 123.694 2.355 . . . . 10.0 112.206 169.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -78.89 3.49 16.79 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.415 1.886 . . . . 10.0 114.373 173.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -18.4 54.69 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.973 1.709 . . . . 10.0 113.012 169.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -85.77 -170.65 3.2 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.253 1.421 . . . . 10.0 113.513 -170.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -61.35 -7.65 3.18 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 116.285 1.957 . . . . 10.0 116.285 -177.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' GLN . . . . . 0.401 HE21 HG23 ' B' ' 63' ' ' THR . 1.3 pm0 -67.73 -30.02 69.4 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 121.825 2.102 . . . . 10.0 113.234 -171.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.406 ' CG2' HD13 ' A' ' 28' ' ' ILE . 2.9 t -66.9 -52.91 39.35 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 108.585 -0.894 . . . . 10.0 108.585 169.401 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.405 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 0.5 OUTLIER -61.27 -35.98 78.78 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 121.964 0.888 . . . . 10.0 111.283 -172.003 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -59.88 -38.57 82.6 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.723 1.609 . . . . 10.0 113.615 172.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 17.7 mt -83.76 -39.5 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 119.552 1.069 . . . . 10.0 109.645 177.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 10.6 mt -41.52 -60.22 1.38 Allowed 'General case' 0 C--O 1.24 0.557 0 C-N-CA 127.332 2.253 . . . . 10.0 112.322 172.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . 0.28 0.1 OUTLIER -66.27 -7.99 22.02 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.259 1.578 . . . . 10.0 115.259 -178.127 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 32.5 p -84.29 -8.62 58.97 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.903 1.445 . . . . 10.0 114.903 171.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.45 72.73 57.48 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 123.294 0.638 . . . . 10.0 111.1 175.033 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -49.05 -31.06 19.8 Favored 'Trans proline' 0 N--CA 1.456 -0.701 1 C-N-CA 125.373 4.049 . . . . 10.0 117.217 -175.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.42 -47.19 70.97 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.405 1.457 . . . . 10.0 111.384 174.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.8 -38.21 87.26 Favored 'General case' 0 C--O 1.217 -0.658 0 C-N-CA 124.003 0.921 . . . . 10.0 109.869 170.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 4.9 ttt -60.67 -43.7 97.34 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.389 -0.82 . . . . 10.0 112.809 177.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.61 93.03 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 122.066 -0.396 . . . . 10.0 111.605 172.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.34 -37.02 84.05 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.334 0.864 . . . . 10.0 113.334 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -58.49 -59.51 5.24 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 126.514 1.925 . . . . 10.0 107.478 169.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 65.2 mt -49.81 -52.52 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 CA-C-N 118.503 0.592 . . . . 10.0 110.416 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -60.65 -60.53 3.65 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.757 1.223 . . . . 10.0 112.409 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -30.0 64.65 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 117.016 -1.469 . . . . 10.0 111.165 -173.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -62.62 -44.14 97.04 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 121.699 2.045 . . . . 10.0 110.514 169.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 4.2 m -59.89 -46.02 90.65 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 122.058 -0.401 . . . . 10.0 110.813 175.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.87 87.61 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.889 0.876 . . . . 10.0 112.057 173.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -51.51 26.64 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.991 1.717 . . . . 10.0 110.212 171.237 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -59.74 -60.08 4.4 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 117.548 -1.215 . . . . 10.0 112.422 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.476 0.858 0 CA-C-N 119.834 1.197 . . . . 10.0 112.894 -173.726 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 . . . . . 0 C--O 1.218 -0.58 0 CA-C-O 117.92 -1.038 . . . . 10.0 112.869 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.99 -39.97 96.36 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.986 1.266 . . . . 10.0 112.298 176.649 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.46 -40.86 73.45 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.909 0.483 . . . . 10.0 111.64 174.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.9 mt -64.2 -41.55 97.02 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 122.97 0.508 . . . . 10.0 111.794 175.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.13 -48.69 80.66 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 128.376 2.671 . . . . 10.0 110.295 170.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.43 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 51.3 m-20 -57.97 -54.44 46.96 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 118.678 -0.677 . . . . 10.0 112.743 176.284 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -63.79 -30.22 71.34 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.266 0.939 . . . . 10.0 113.444 177.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.1 tp -75.7 -41.94 52.3 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 118.502 0.592 . . . . 10.0 112.338 176.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.43 ' CD2' ' HA ' ' A' ' 11' ' ' ASP . 1.8 p80 -72.12 -28.15 63.09 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.561 -1.337 . . . . 10.0 110.982 175.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.5 m -65.82 -42.59 90.41 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.909 0.777 . . . . 10.0 110.762 169.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.3 tp -56.15 -49.56 73.62 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 117.598 -1.192 . . . . 10.0 111.188 172.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.783 HD13 HD22 ' B' ' 64' ' ' LEU . 3.0 mm? -64.72 -23.79 67.36 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-N 120.966 1.712 . . . . 10.0 113.562 173.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.424 ' CB ' HE21 ' B' ' 93' ' ' GLN . 70.6 m -95.0 -10.56 30.56 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 115.361 1.615 . . . . 10.0 115.361 -173.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -41.01 -16.98 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 130.941 3.696 . . . . 10.0 117.99 -169.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.264 57.8 p 120.17 -14.99 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.699 1 C-N-CA 135.691 5.596 . . . . 10.0 111.906 169.661 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -56.45 150.65 14.68 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-O 123.464 1.602 . . . . 10.0 112.544 173.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -142.92 -0.39 1.16 Allowed 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 128.026 2.531 . . . . 10.0 112.085 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.6 m -51.02 -57.56 8.31 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.283 1.401 . . . . 10.0 113.473 -169.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.45 -23.48 6.28 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.99 1.281 . . . . 10.0 110.518 168.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.529 HD11 HD21 ' B' ' 64' ' ' LEU . 4.9 mt -50.23 -33.27 19.01 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-O 117.662 -1.161 . . . . 10.0 113.917 170.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -48.8 -56.11 9.62 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.531 1.132 . . . . 10.0 112.231 169.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -52.56 -46.01 66.66 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.333 1.453 . . . . 10.0 112.15 175.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.5 mt -62.93 -44.47 99.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 124.374 1.069 . . . . 10.0 110.168 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -62.14 -46.29 89.67 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.37 1.068 . . . . 10.0 110.221 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -61.08 -43.67 98.53 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.157 0.889 . . . . 10.0 111.407 174.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.69 -19.7 41.92 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.782 1.03 . . . . 10.0 113.782 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.5 mt -113.32 15.77 19.16 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.614 1.166 . . . . 10.0 113.162 171.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.74 11.56 66.07 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.7 1.619 . . . . 10.0 114.703 174.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.2 mt -57.24 -44.68 99.8 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 124.693 1.197 . . . . 10.0 113.003 -169.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.27 -26.44 82.62 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.058 1.838 . . . . 10.0 115.444 171.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -77.25 -36.83 54.15 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.231 -0.918 . . . . 10.0 110.861 171.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.03 -34.81 72.33 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.269 0.941 . . . . 10.0 111.18 169.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 N--CA 1.479 1.025 0 C-N-CA 124.793 1.237 . . . . 10.0 111.611 169.915 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.445 -0.697 0 N-CA-C 104.236 -2.505 . . . . 10.0 104.236 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.82 -20.67 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-O 119.206 -0.426 . . . . 10.0 111.145 -170.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 86.5 p -105.13 -9.43 0.12 Allowed Pre-proline 0 C--O 1.212 -0.876 0 N-CA-C 119.47 3.137 . . . . 10.0 119.47 -174.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -60.83 -22.44 73.79 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 CA-C-N 126.313 3.29 . . . . 10.0 115.774 -168.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 17.2 p -80.61 -57.16 3.7 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.02 0.528 . . . . 10.0 110.806 169.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.18 -27.48 63.88 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 125.233 1.413 . . . . 10.0 112.819 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 44.4 tp -58.63 -33.34 69.93 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 128.686 2.794 . . . . 10.0 111.639 171.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -90.27 -59.73 2.11 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.021 0.928 . . . . 10.0 109.918 169.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.33 -41.53 24.64 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 117.922 2.564 . . . . 10.0 117.922 -168.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 tp -72.17 -36.07 69.19 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 120.406 1.457 . . . . 10.0 108.325 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.68 -58.8 6.11 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.005 1.322 . . . . 10.0 110.289 169.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 20.5 ttp85 -47.69 -49.62 27.29 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 126.345 1.858 . . . . 10.0 112.609 170.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' THR . . . . . 0.5 HG21 ' HA ' ' B' ' 76' ' ' VAL . 1.0 OUTLIER -60.96 -19.85 61.5 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 127.693 2.397 . . . . 10.0 115.319 -177.389 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.783 HD22 HD13 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -117.88 -17.2 9.83 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.278 1.214 . . . . 10.0 114.278 170.271 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -59.07 -37.32 76.8 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 107.649 -1.241 . . . . 10.0 107.649 167.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 7.8 p -79.3 110.45 15.08 Favored Pre-proline 0 CA--C 1.551 1.017 0 N-CA-C 102.098 -3.297 . . . . 10.0 102.098 165.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -67.76 156.42 66.06 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.237 1.958 . . . . 10.0 115.968 -167.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 24.8 p -58.67 -16.15 14.99 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 115.802 1.779 . . . . 10.0 115.802 -168.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.7 t -47.74 -68.17 0.34 Allowed Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 125.545 1.538 . . . . 10.0 113.13 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -81.03 -20.66 7.29 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.132 1.888 . . . . 10.0 111.84 168.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -82.63 69.79 9.48 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.357 1.463 . . . . 10.0 112.323 -173.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -55.95 169.47 0.37 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.511 2.324 . . . . 10.0 114.522 169.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -39.76 70.23 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 115.693 1.738 . . . . 10.0 115.693 -170.441 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 11.0 pm0 -50.05 -53.02 29.79 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 120.219 1.372 . . . . 10.0 114.068 -169.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' GLN . . . . . 0.424 ' NE2' HG23 ' B' ' 63' ' ' THR . 1.9 pp0? -72.3 -33.17 67.21 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 117.819 -1.086 . . . . 10.0 113.782 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.5 ' HA ' HG21 ' B' ' 63' ' ' THR . 2.6 t -70.24 -54.4 18.85 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 CA-C-N 119.829 1.195 . . . . 10.0 107.966 176.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.97 -36.21 76.63 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.992 1.317 . . . . 10.0 110.034 -173.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -61.42 -34.98 76.29 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 114.431 1.271 . . . . 10.0 114.431 174.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 18.5 mt -90.32 -39.11 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 119.577 1.081 . . . . 10.0 110.584 178.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.3 mt -40.57 -50.79 2.99 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 128.336 2.655 . . . . 10.0 111.966 171.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 35.1 pttt -58.95 -23.66 61.77 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.809 1.04 . . . . 10.0 113.809 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 57.8 p -83.31 -11.86 57.26 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 114.552 1.316 . . . . 10.0 114.552 -173.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -123.38 99.52 39.81 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 105.927 -1.879 . . . . 10.0 105.927 169.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.89 -30.18 17.38 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 123.317 2.678 . . . . 10.0 111.977 -169.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -67.0 -46.44 74.54 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.202 1.001 . . . . 10.0 110.694 172.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.91 -37.87 88.99 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 124.395 1.078 . . . . 10.0 110.082 174.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -52.21 66.44 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.506 1.048 . . . . 10.0 111.338 174.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.03 -43.63 98.6 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.107 0.41 . . . . 10.0 112.107 174.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.39 90.9 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.139 -0.975 . . . . 10.0 112.46 175.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -57.55 -57.55 12.19 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 124.784 1.233 . . . . 10.0 108.276 170.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 95.5 mt -52.8 -58.81 2.16 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 O-C-N 123.393 0.433 . . . . 10.0 110.766 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.54 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.8 OUTLIER -60.84 -53.75 53.56 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 121.478 -0.764 . . . . 10.0 112.769 -176.49 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.424 HE21 ' CB ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -70.7 -38.39 73.66 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 116.018 -1.944 . . . . 10.0 110.746 -175.806 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -56.69 -42.45 79.09 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 122.604 2.457 . . . . 10.0 111.185 170.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 1.9 m -56.93 -44.97 83.02 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.006 0.523 . . . . 10.0 111.859 175.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.63 90.33 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.926 0.89 . . . . 10.0 113.285 172.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -42.96 61.03 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.11 1.764 . . . . 10.0 110.91 173.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -60.69 -60.72 3.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 118.633 -0.699 . . . . 10.0 112.069 173.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 N--CA 1.474 0.772 0 CA-C-N 119.7 1.136 . . . . 10.0 113.408 -177.677 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 . . . . . 0 N--CA 1.472 0.631 0 CA-C-O 118.377 -0.82 . . . . 10.0 111.989 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.01 -40.91 95.59 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 118.977 0.808 . . . . 10.0 111.991 -169.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.98 -42.48 94.52 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 117.855 -1.069 . . . . 10.0 112.151 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.557 HD22 ' C ' ' A' ' 9' ' ' LEU 0.328 0.0 OUTLIER -74.73 -36.6 62.64 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 120.375 1.443 . . . . 10.0 111.262 -179.268 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.9 tp -56.05 -49.24 74.29 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 127.233 2.213 . . . . 10.0 109.875 170.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -56.23 -55.66 30.53 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 123.579 0.752 . . . . 10.0 112.141 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -65.42 -30.87 71.72 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.761 -0.587 . . . . 10.0 112.525 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.3 tp -76.77 -40.96 46.53 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-O 117.533 -1.223 . . . . 10.0 111.775 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -71.11 -25.5 62.62 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.593 1.542 . . . . 10.0 111.543 174.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.4 m -66.3 -49.89 65.52 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 117.94 -1.029 . . . . 10.0 110.582 169.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 tp -52.32 -53.83 39.39 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.407 1.003 . . . . 10.0 110.338 169.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.422 HD12 HD22 ' B' ' 64' ' ' LEU . 0.2 OUTLIER -66.33 -4.03 7.16 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 115.544 1.683 . . . . 10.0 115.544 -175.605 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.4 t -143.83 24.2 1.69 Allowed 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.972 1.101 . . . . 10.0 113.972 175.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -52.6 -10.31 0.15 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 128.59 2.756 . . . . 10.0 118.23 -169.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.278 39.3 p 124.92 -17.51 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.926 1 C-N-CA 133.888 4.875 . . . . 10.0 112.055 176.861 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -65.53 160.53 22.13 Favored 'General case' 0 CA--C 1.553 1.061 0 CA-C-O 122.88 1.324 . . . . 10.0 112.057 169.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.02 -8.63 0.61 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.678 2.391 . . . . 10.0 113.985 168.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.7 m -49.3 -41.87 39.53 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 128.546 2.738 . . . . 10.0 115.693 -167.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.13 -3.12 8.27 Favored Glycine 0 N--CA 1.468 0.767 0 C-N-CA 124.249 0.928 . . . . 10.0 113.352 169.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 mp -70.93 -22.59 62.22 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.236 -1.156 . . . . 10.0 109.402 169.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.17 -52.67 2.57 Favored 'General case' 0 C--N 1.346 0.448 0 C-N-CA 127.77 2.428 . . . . 10.0 114.024 175.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.73 -50.91 70.79 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.969 0.804 . . . . 10.0 112.176 176.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 mm -62.33 -40.22 87.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 124.13 0.972 . . . . 10.0 109.658 -176.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -78.07 -31.25 50.09 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 117.716 -1.135 . . . . 10.0 113.464 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.5 ptt-85 -70.44 -37.51 74.38 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.963 1.256 . . . . 10.0 111.017 169.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.47 -20.11 52.77 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.877 1.065 . . . . 10.0 113.877 172.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.8 mt -111.38 9.49 21.5 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.927 1.691 . . . . 10.0 112.655 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.35 12.69 58.96 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.754 1.169 . . . . 10.0 115.239 176.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.6 mt -53.3 -47.52 95.78 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-O 117.337 -1.316 . . . . 10.0 112.759 -171.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -55.28 -19.15 20.63 Favored 'Trans proline' 0 CA--C 1.545 1.047 0 C-N-CA 123.808 3.005 . . . . 10.0 115.928 172.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -90.64 -36.52 14.34 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 120.264 1.393 . . . . 10.0 111.694 169.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.5 mt -58.13 -29.11 65.27 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.009 -1.057 . . . . 10.0 111.37 169.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 N--CA 1.472 0.672 0 C-N-CA 126.452 1.901 . . . . 10.0 110.162 169.502 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 96.8 p . . . . . 0 C--O 1.238 0.463 0 N-CA-C 105.498 -2.038 . . . . 10.0 105.498 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.42 ' H ' HD12 ' B' ' 52' ' ' ILE . 2.2 mp -90.15 -28.67 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.367 -169.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 6.8 p -100.07 11.9 0.05 OUTLIER Pre-proline 0 CA--C 1.551 1.0 0 N-CA-C 118.043 2.609 . . . . 10.0 118.043 -176.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -63.63 -13.64 37.84 Favored 'Trans proline' 0 CA--C 1.547 1.15 0 CA-C-N 126.933 3.512 . . . . 10.0 113.685 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 15.0 p -83.74 -51.89 6.87 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.766 1.627 . . . . 10.0 110.948 168.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.73 -24.85 58.99 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 125.256 1.422 . . . . 10.0 113.079 170.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 42.0 tp -57.57 -25.2 59.64 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.928 2.091 . . . . 10.0 111.826 169.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -93.44 -57.74 2.5 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.891 0.877 . . . . 10.0 109.798 169.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -81.62 -39.27 24.73 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 117.186 2.291 . . . . 10.0 117.186 -169.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.66 -32.88 64.22 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.591 1.087 . . . . 10.0 109.608 173.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 tp -58.11 -59.59 5.05 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.538 -0.744 . . . . 10.0 110.88 171.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -34.56 72.23 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.816 1.189 . . . . 10.0 112.654 175.341 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' THR . . . . . 0.482 HG23 ' NE2' ' B' ' 75' ' ' GLN . 5.5 m -57.81 -29.88 65.27 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 127.598 2.359 . . . . 10.0 115.956 177.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.422 HD22 HD12 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -112.13 -19.59 12.23 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.517 0.932 . . . . 10.0 113.517 173.874 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -63.45 -36.92 85.33 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.423 -0.955 . . . . 10.0 108.423 168.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 8.3 p -70.87 115.86 40.27 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 103.989 -2.597 . . . . 10.0 103.989 167.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -58.85 146.3 93.63 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 N-CA-C 117.763 2.178 . . . . 10.0 117.763 -168.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 99.8 p -53.37 -28.14 27.61 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 127.753 2.421 . . . . 10.0 114.204 -169.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.7 t -40.85 -72.99 0.1 OUTLIER Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 126.432 1.893 . . . . 10.0 114.7 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -79.1 -11.44 14.85 Favored 'Trans proline' 0 CA--C 1.546 1.078 0 C-N-CA 122.856 2.371 . . . . 10.0 113.487 169.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -89.59 -0.95 57.86 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.642 1.349 . . . . 10.0 114.642 -172.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -15.09 56.02 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 128.755 2.822 . . . . 10.0 115.003 175.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -64.37 172.22 2.68 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 125.195 1.398 . . . . 10.0 113.237 174.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -48.94 -19.05 0.34 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 127.909 2.484 . . . . 10.0 116.682 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' GLN . . . . . 0.482 ' NE2' HG23 ' B' ' 63' ' ' THR . 1.3 pp0? -59.59 -32.39 70.34 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 120.41 1.459 . . . . 10.0 114.278 -176.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.32 -53.49 32.17 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 N-CA-C 107.328 -1.36 . . . . 10.0 107.328 174.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.63 -37.25 83.3 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.475 1.11 . . . . 10.0 110.405 -171.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -61.93 -34.35 75.94 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.69 1.596 . . . . 10.0 113.758 175.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.6 mt -90.61 -38.04 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 119.409 1.004 . . . . 10.0 110.68 176.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.6 mt -42.91 -49.23 5.92 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 128.248 2.619 . . . . 10.0 111.794 173.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -59.94 -14.15 14.42 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.325 1.602 . . . . 10.0 115.325 -175.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 89.8 p -71.77 -56.92 4.87 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.066 1.346 . . . . 10.0 113.75 -175.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -90.09 107.96 22.97 Favored Pre-proline 0 CA--C 1.544 0.719 0 CA-C-N 119.17 0.895 . . . . 10.0 109.579 172.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -66.05 -32.45 43.93 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 122.502 2.135 . . . . 10.0 112.265 -176.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -66.25 -45.96 78.78 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 123.878 0.871 . . . . 10.0 109.997 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.5 -42.63 96.74 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.831 0.852 . . . . 10.0 110.806 172.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -49.71 76.36 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.734 0.697 . . . . 10.0 111.448 177.227 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.36 -42.1 99.13 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.387 -0.82 . . . . 10.0 112.052 174.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.26 -42.43 99.33 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.489 1.116 . . . . 10.0 112.543 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.418 ' CD1' ' HG ' ' A' ' 17' ' ' LEU . 34.8 t80 -55.27 -54.59 41.56 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 124.257 1.023 . . . . 10.0 110.126 171.12 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 96.3 mt -53.39 -56.03 10.24 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 123.564 0.746 . . . . 10.0 110.343 176.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -57.51 -57.43 12.74 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.833 0.853 . . . . 10.0 112.399 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -39.72 92.3 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 117.649 -1.167 . . . . 10.0 111.246 -175.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 38.5 mmm-85 -58.61 -44.3 89.89 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.744 1.611 . . . . 10.0 111.882 171.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -61.04 -42.47 98.53 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 118.611 -0.709 . . . . 10.0 110.493 175.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.77 -53.51 57.11 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.563 1.145 . . . . 10.0 113.15 174.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -45.63 -49.65 14.09 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 127.361 2.264 . . . . 10.0 110.067 170.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -63.44 -59.22 4.95 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 117.132 -1.414 . . . . 10.0 113.613 174.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.476 0.828 0 CA-C-N 121.391 1.905 . . . . 10.0 113.117 -173.371 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 116.525 -1.703 . . . . 10.0 108.19 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -115.1 21.56 13.18 Favored Glycine 0 CA--C 1.534 1.246 0 CA-C-N 121.768 2.077 . . . . 10.0 112.531 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . 0.275 2.3 mt-30 -1.29 79.29 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 130.894 3.678 . . . . 10.0 116.341 -171.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.7 m -132.75 -73.48 0.51 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 129.092 2.957 . . . . 10.0 109.187 -172.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -83.17 -31.79 26.94 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 108.15 -1.055 . . . . 10.0 108.15 170.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.14 -45.04 95.23 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 125.915 1.686 . . . . 10.0 110.397 173.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -63.1 -56.21 18.82 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 118.74 -0.647 . . . . 10.0 110.774 173.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.42 85.44 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.304 -0.855 . . . . 10.0 112.777 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.511 HD22 ' C ' ' A' ' 9' ' ' LEU 0.337 0.0 OUTLIER -77.21 -32.43 55.95 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 119.297 0.953 . . . . 10.0 111.733 178.535 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.3 tp -60.82 -48.68 80.69 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.822 1.249 . . . . 10.0 110.706 169.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -55.4 -54.15 47.25 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.923 0.889 . . . . 10.0 112.53 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -65.28 -32.64 74.4 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.902 -0.57 . . . . 10.0 111.443 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 tp -73.86 -42.48 60.73 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-O 117.621 -1.18 . . . . 10.0 111.369 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -72.32 -25.78 61.69 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.459 1.482 . . . . 10.0 111.37 175.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.4 m -65.22 -50.66 65.01 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-O 118.201 -0.904 . . . . 10.0 110.567 170.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.442 HD22 HD12 ' B' ' 61' ' ' LEU . 4.2 tp -51.2 -57.93 7.48 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.947 1.248 . . . . 10.0 110.352 170.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.619 HD12 HD22 ' B' ' 64' ' ' LEU . 2.8 tp -70.81 0.17 7.73 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.883 1.273 . . . . 10.0 113.894 -171.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.446 ' C ' ' H ' ' A' ' 20' ' ' THR . 52.2 p -143.9 21.85 1.77 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.271 1.212 . . . . 10.0 114.271 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -57.42 4.72 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 129.591 3.156 . . . . 10.0 116.66 -173.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.446 ' H ' ' C ' ' A' ' 18' ' ' SER . 5.2 p 130.32 -85.04 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.415 1 C-N-CA 136.447 5.899 . . . . 10.0 103.096 -169.463 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -151.35 -173.77 4.61 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.789 1.177 . . . . 10.0 112.382 -176.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.24 139.52 9.59 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 128.339 2.656 . . . . 10.0 106.756 168.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.0 t -55.53 -19.82 11.1 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 118.266 2.691 . . . . 10.0 118.266 -168.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.06 -14.59 24.21 Favored Glycine 0 CA--C 1.533 1.213 0 CA-C-N 119.843 1.201 . . . . 10.0 113.83 169.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 tp -53.71 -26.04 21.23 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 126.313 1.845 . . . . 10.0 114.028 170.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -57.25 -46.19 83.25 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.671 0.668 . . . . 10.0 111.589 169.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -65.39 -46.98 77.93 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 118.457 -0.782 . . . . 10.0 110.535 175.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.2 mm -57.15 -38.7 62.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 118.634 0.652 . . . . 10.0 110.825 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -65.99 -54.14 29.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.153 0.981 . . . . 10.0 111.291 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.1 ptt85 -66.25 -30.59 71.06 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.079 -1.013 . . . . 10.0 113.635 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.54 -19.92 62.67 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.761 1.164 . . . . 10.0 113.088 169.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.6 mt -110.38 13.13 22.92 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.417 1.887 . . . . 10.0 112.142 174.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.54 12.74 41.66 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.557 1.551 . . . . 10.0 115.514 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.282 42.1 mt -53.23 -48.0 93.92 Favored Pre-proline 0 N--CA 1.468 0.458 0 CA-C-O 117.052 -1.451 . . . . 10.0 113.703 -169.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -56.35 -20.35 32.09 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.998 2.465 . . . . 10.0 116.248 172.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -83.88 -45.83 12.8 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.313 1.045 . . . . 10.0 109.48 169.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.0 mt -54.41 -27.24 35.52 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.55 1.14 . . . . 10.0 113.142 175.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.7 t -56.19 -60.09 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 125.482 1.513 . . . . 10.0 110.745 169.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -23.94 65.98 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 112.914 0.709 . . . . 10.0 112.914 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -68.63 -19.7 64.44 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.72 0.691 . . . . 10.0 112.552 168.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.04 16.85 62.25 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 125.045 1.307 . . . . 10.0 114.881 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.66 -30.25 65.28 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.412 1.606 . . . . 10.0 113.292 -172.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.04 -31.11 66.7 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.576 1.15 . . . . 10.0 113.608 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.3 mt -87.62 -14.34 40.31 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.868 1.667 . . . . 10.0 113.2 -176.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -76.93 144.69 72.78 Favored Pre-proline 0 CA--C 1.544 0.732 0 O-C-N 121.706 -0.621 . . . . 10.0 111.595 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -71.87 -12.09 28.21 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 122.845 2.364 . . . . 10.0 113.005 169.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.149 0 C-N-CA 126.289 1.836 . . . . 10.0 111.963 171.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo . . . . . 0 N--CA 1.485 1.008 0 N-CA-C 106.456 -2.171 . . . . 10.0 106.456 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -159.8 -62.45 0.07 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.563 1.545 . . . . 10.0 110.881 -168.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -62.04 -72.12 0.13 Allowed 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 105.073 -2.195 . . . . 10.0 105.073 168.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.17 138.25 31.67 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 103.56 -2.756 . . . . 10.0 103.56 166.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.479 ' H ' HD12 ' B' ' 52' ' ' ILE . 2.5 mp -90.52 -27.13 5.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 123.705 0.802 . . . . 10.0 110.643 -171.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 2.3 p -101.54 12.45 0.06 OUTLIER Pre-proline 0 CA--C 1.553 1.096 0 C-N-CA 127.561 2.344 . . . . 10.0 116.999 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -68.7 -13.26 36.69 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 124.046 3.164 . . . . 10.0 113.148 -172.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 12.8 p -86.4 -49.39 7.67 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.983 1.713 . . . . 10.0 110.971 169.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.24 -24.73 56.67 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.921 1.689 . . . . 10.0 112.068 170.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 48.7 tp -54.84 -30.08 56.66 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 125.652 1.581 . . . . 10.0 111.108 169.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -90.91 -58.77 2.36 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 169.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.2 -37.68 45.0 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 118.43 2.752 . . . . 10.0 118.43 -168.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.9 tp -76.08 -34.16 59.54 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.787 1.63 . . . . 10.0 110.453 173.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.442 HD12 HD22 ' A' ' 16' ' ' LEU . 19.6 tp -58.79 -59.64 5.1 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.953 0.901 . . . . 10.0 110.183 171.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -27.61 69.52 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.848 1.203 . . . . 10.0 112.492 176.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 17.8 m -62.98 -21.3 66.03 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 114.818 1.414 . . . . 10.0 114.818 172.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.619 HD22 HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -117.51 -22.04 8.33 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 113.813 1.042 . . . . 10.0 113.813 171.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -63.52 -41.24 98.5 Favored 'General case' 0 C--N 1.345 0.385 0 N-CA-C 108.255 -1.017 . . . . 10.0 108.255 168.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 67.1 p -80.35 111.82 25.72 Favored Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 102.959 -2.978 . . . . 10.0 102.959 166.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -52.16 150.68 18.68 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.437 2.091 . . . . 10.0 116.967 -168.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 23.8 m -61.83 23.69 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.752 2.021 . . . . 10.0 115.854 174.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -90.09 -68.12 0.11 Allowed Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 124.805 1.242 . . . . 10.0 107.707 168.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.16 -25.28 26.93 Favored 'Trans proline' 0 C--N 1.357 0.975 0 CA-C-N 121.583 1.601 . . . . 10.0 110.397 168.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -90.48 24.58 2.56 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.845 1.658 . . . . 10.0 114.635 169.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -64.91 -20.08 66.26 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 115.236 1.569 . . . . 10.0 115.236 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.448 ' NE2' ' H ' ' B' ' 73' ' ' GLN . 0.0 OUTLIER -79.85 172.86 13.22 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 123.105 1.431 . . . . 10.0 113.052 -170.506 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -55.72 1.5 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 128.609 2.763 . . . . 10.0 114.412 170.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.7 -23.99 65.3 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 120.664 1.574 . . . . 10.0 112.332 170.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.38 -54.9 19.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 N-CA-C 106.902 -1.518 . . . . 10.0 106.902 169.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -35.45 73.81 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.034 1.734 . . . . 10.0 112.032 -172.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -70.4 -29.28 65.86 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.603 1.161 . . . . 10.0 113.987 176.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 9.0 mt -90.64 -36.12 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 120.704 1.593 . . . . 10.0 111.017 172.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 mt -41.49 -50.74 3.94 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 128.635 2.774 . . . . 10.0 111.425 175.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -59.93 -19.29 51.03 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 115.486 1.661 . . . . 10.0 115.486 -175.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 75.3 p -66.32 -52.54 46.13 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.671 1.188 . . . . 10.0 113.77 -170.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -92.89 108.73 34.36 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 108.536 -0.913 . . . . 10.0 108.536 169.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -64.39 -32.58 60.46 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.754 2.303 . . . . 10.0 111.821 -174.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -70.5 -39.43 74.15 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.622 0.769 . . . . 10.0 111.146 175.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.33 -46.18 90.82 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.866 0.757 . . . . 10.0 109.642 170.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -50.23 74.28 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.844 0.747 . . . . 10.0 111.839 177.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.82 98.14 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.183 -0.948 . . . . 10.0 112.919 175.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.09 91.31 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.341 1.057 . . . . 10.0 112.055 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -57.79 -61.2 2.7 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 107.712 -1.218 . . . . 10.0 107.712 169.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 69.6 mt -55.11 -46.01 77.32 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 119.508 1.049 . . . . 10.0 111.492 -175.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -57.57 -60.05 4.26 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 124.675 1.19 . . . . 10.0 111.723 175.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -32.03 69.76 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 119.172 0.896 . . . . 10.0 111.424 -176.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -55.43 -54.04 48.71 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.723 1.601 . . . . 10.0 109.014 169.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 1.5 m -59.48 -42.8 92.91 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.639 0.375 . . . . 10.0 111.948 176.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.08 -47.5 85.03 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.16 0.984 . . . . 10.0 112.885 175.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -40.33 73.71 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 124.68 1.192 . . . . 10.0 110.619 174.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -68.22 -53.31 25.69 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 117.937 -1.03 . . . . 10.0 113.061 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 30.9 m -60.76 -29.24 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 120.689 1.586 . . . . 10.0 111.509 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.78 3.15 5.47 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.454 1.279 . . . . 10.0 114.454 170.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -130.75 -44.05 1.09 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.376 1.87 . . . . 10.0 113.093 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -145.09 69.43 14.29 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 128.719 2.808 . . . . 10.0 110.56 -173.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -74.92 -33.11 4.95 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.786 2.324 . . . . 10.0 113.428 -174.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 65.99 -70.28 0.13 Allowed Glycine 0 CA--C 1.529 0.96 0 C-N-CA 125.197 1.38 . . . . 10.0 112.966 -173.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.6 6.41 1.65 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.271 1.828 . . . . 10.0 114.087 172.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 . . . . . 0 C--O 1.251 1.133 0 CA-C-O 116.822 -1.561 . . . . 10.0 110.588 178.16 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.464 0 CA-C-O 121.408 0.623 . . . . 10.0 110.85 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -135.9 6.37 4.08 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.827 1.203 . . . . 10.0 114.553 170.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 71.26 -19.24 0.25 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.855 2.062 . . . . 10.0 113.485 -170.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.5 p -67.48 -57.88 5.73 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 128.623 2.769 . . . . 10.0 111.564 169.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -61.09 -35.17 76.28 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.386 0.674 . . . . 10.0 111.288 177.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.402 ' HG3' ' H ' ' B' ' 52' ' ' ILE . 2.4 tm-20 -46.4 -39.9 11.19 Favored 'General case' 0 C--O 1.212 -0.899 0 C-N-CA 126.079 1.752 . . . . 10.0 111.955 175.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -35.44 69.83 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 121.387 1.903 . . . . 10.0 113.243 -176.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.07 -43.14 58.82 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.9 0.773 . . . . 10.0 111.47 174.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.06 -40.08 92.31 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.223 1.009 . . . . 10.0 110.855 176.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.4 tp -63.62 -49.33 73.73 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 130.653 3.581 . . . . 10.0 110.945 175.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -57.93 -53.35 59.2 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 123.357 0.663 . . . . 10.0 112.019 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -66.0 -34.46 78.14 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.102 0.865 . . . . 10.0 112.815 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 mt -71.46 -43.23 67.04 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 119.59 1.086 . . . . 10.0 112.788 174.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -71.28 -28.59 64.24 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 121.508 1.958 . . . . 10.0 111.191 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.2 m -63.38 -53.39 53.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 118.092 -0.956 . . . . 10.0 109.627 169.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.456 HD22 HD12 ' B' ' 61' ' ' LEU . 4.7 tp -50.9 -55.8 15.36 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 119.37 0.987 . . . . 10.0 111.442 170.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.624 HD12 HD22 ' B' ' 64' ' ' LEU . 3.2 tp -73.65 -2.49 23.32 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.044 1.127 . . . . 10.0 114.044 -171.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.8 p -136.69 10.7 3.15 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -43.7 -6.42 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.021 1 C-N-CA 131.834 4.054 . . . . 10.0 120.323 -169.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.1 p 121.02 -28.57 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.422 1 C-N-CA 133.95 4.9 . . . . 10.0 112.588 -176.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -61.76 162.57 8.51 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 123.295 1.521 . . . . 10.0 113.324 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.25 -15.88 1.44 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.06 2.144 . . . . 10.0 113.201 169.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 m -47.68 -45.35 28.2 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 127.118 2.167 . . . . 10.0 116.03 -169.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -127.59 28.09 4.54 Favored Glycine 0 N--CA 1.472 1.038 0 C-N-CA 124.993 1.282 . . . . 10.0 112.538 172.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 mt -110.42 -29.88 7.91 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 124.633 1.173 . . . . 10.0 109.217 169.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.34 -40.39 59.02 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.525 2.33 . . . . 10.0 113.21 176.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -60.33 -53.17 60.78 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.378 1.471 . . . . 10.0 112.662 169.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 mm -62.14 -39.19 83.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 124.398 1.079 . . . . 10.0 110.094 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -65.67 -49.52 68.28 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.704 2.002 . . . . 10.0 110.363 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.9 ptt-85 -64.62 -38.33 90.65 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.659 1.118 . . . . 10.0 112.392 175.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.63 -19.9 52.31 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 119.245 0.93 . . . . 10.0 113.321 173.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.0 mt -112.89 13.52 19.63 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.968 1.707 . . . . 10.0 112.548 175.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.88 11.57 44.45 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 126.384 1.945 . . . . 10.0 115.784 177.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.25 35.7 mt -52.08 -45.33 93.55 Favored Pre-proline 0 N--CA 1.472 0.63 0 CA-C-O 117.245 -1.36 . . . . 10.0 113.621 -169.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -57.75 -24.17 62.08 Favored 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 122.649 2.232 . . . . 10.0 116.007 174.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -79.12 -35.05 42.8 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 120.07 1.304 . . . . 10.0 111.324 170.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.95 -40.9 90.57 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.465 -0.772 . . . . 10.0 110.251 169.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.2 t -62.2 -51.95 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 126.158 1.783 . . . . 10.0 111.598 172.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -50.65 -51.17 51.61 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.469 1.108 . . . . 10.0 111.439 174.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -65.99 -19.85 66.0 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.573 1.323 . . . . 10.0 114.573 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.11 19.4 62.86 Favored Glycine 0 CA--C 1.538 1.48 0 CA-C-O 118.481 -1.177 . . . . 10.0 114.075 -177.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -68.15 42.76 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 127.0 2.12 . . . . 10.0 114.352 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.9 -3.21 35.73 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 119.281 -2.137 . . . . 10.0 114.753 -172.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.0 mt -117.71 -25.98 6.7 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.726 1.148 . . . . 10.0 113.723 -169.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.54 158.11 88.55 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 125.379 1.471 . . . . 10.0 109.912 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -68.78 16.07 0.17 Allowed 'Trans proline' 0 CA--C 1.554 1.494 0 C-N-CA 124.815 3.677 . . . . 10.0 115.815 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.17 0 C-N-CA 127.554 2.342 . . . . 10.0 110.388 169.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo . . . . . 0 C--O 1.241 0.666 0 N-CA-C 109.841 -0.869 . . . . 10.0 109.841 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -122.28 -16.69 7.33 Favored 'General case' 0 C--N 1.36 1.065 0 N-CA-C 115.214 1.561 . . . . 10.0 115.214 -167.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.433 ' CZ ' ' HA ' ' B' ' 50' ' ' ARG . 2.9 mmp_? -116.64 -62.29 1.61 Allowed 'General case' 0 C--N 1.342 0.265 0 N-CA-C 106.295 -1.743 . . . . 10.0 106.295 166.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 49.1 m -79.15 116.87 19.7 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 105.918 -1.882 . . . . 10.0 105.918 166.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.402 ' H ' ' HG3' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -90.88 -10.07 10.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 123.566 0.747 . . . . 10.0 112.726 -170.263 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 61.9 p -103.91 0.74 0.1 OUTLIER Pre-proline 0 CA--C 1.546 0.816 0 N-CA-C 118.973 2.953 . . . . 10.0 118.973 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -64.93 -19.45 63.99 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 CA-C-N 124.82 2.757 . . . . 10.0 114.655 -172.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 13.1 p -84.05 -47.19 11.2 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.895 0.878 . . . . 10.0 111.375 169.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.98 -30.03 63.75 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.46 1.504 . . . . 10.0 112.555 172.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 44.0 tp -56.02 -19.9 14.59 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 127.178 2.191 . . . . 10.0 112.036 170.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -104.31 -59.89 1.67 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 123.897 0.879 . . . . 10.0 108.915 168.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.15 -37.57 53.68 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 116.208 1.929 . . . . 10.0 116.208 -169.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 tp -79.94 -36.64 35.94 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 120.576 1.535 . . . . 10.0 110.113 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.456 HD12 HD22 ' A' ' 16' ' ' LEU . 23.7 tp -61.42 -50.72 71.69 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 125.262 1.425 . . . . 10.0 111.656 174.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 -62.66 -34.0 76.2 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.932 1.242 . . . . 10.0 112.264 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 5.1 m -64.53 -21.89 66.81 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.502 1.521 . . . . 10.0 114.502 -177.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.624 HD22 HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -115.89 -15.92 11.19 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.986 1.106 . . . . 10.0 113.986 170.88 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -64.14 -41.16 97.29 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 107.513 -1.291 . . . . 10.0 107.513 167.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 10.4 p -69.54 126.04 92.36 Favored Pre-proline 0 CA--C 1.548 0.879 0 N-CA-C 104.4 -2.444 . . . . 10.0 104.4 167.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -60.24 147.93 91.76 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 N-CA-C 117.59 2.112 . . . . 10.0 117.59 -168.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 82.5 p -58.68 -10.93 2.6 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.9 2.48 . . . . 10.0 114.539 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.4 t -64.91 -67.62 1.0 Allowed Pre-proline 0 CA--C 1.544 0.736 0 CA-C-O 117.511 -1.233 . . . . 10.0 111.824 170.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.79 -26.19 27.68 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 CA-C-N 122.301 1.857 . . . . 10.0 112.634 169.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -84.73 17.92 2.58 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.634 1.346 . . . . 10.0 114.634 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -54.18 -38.72 65.9 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 128.555 2.742 . . . . 10.0 115.353 -173.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.51 ' NE2' ' H ' ' B' ' 73' ' ' GLN . 2.1 pm0 -86.69 -179.39 6.57 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.183 1.393 . . . . 10.0 114.059 -169.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -63.1 5.94 0.13 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.172 2.189 . . . . 10.0 115.322 -169.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -63.47 -23.75 67.53 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 121.103 1.774 . . . . 10.0 113.288 175.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.04 -52.09 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 107.758 -1.201 . . . . 10.0 107.758 169.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.402 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 0.5 OUTLIER -60.52 -40.06 90.05 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 126.104 1.762 . . . . 10.0 111.376 -174.43 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -62.95 -30.48 71.6 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.894 1.278 . . . . 10.0 113.25 176.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 32.9 mt -88.53 -45.49 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 119.634 1.106 . . . . 10.0 110.458 172.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 5.6 mt -39.75 -52.14 2.32 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 128.481 2.713 . . . . 10.0 111.951 176.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -57.46 -20.4 30.4 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.886 1.069 . . . . 10.0 113.886 -176.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 65.6 p -80.7 -6.44 58.43 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.63 1.345 . . . . 10.0 114.63 175.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -127.45 73.19 77.84 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 119.285 0.948 . . . . 10.0 111.254 -170.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -37.94 -60.34 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 125.143 3.896 . . . . 10.0 117.286 -171.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -60.49 -41.75 94.89 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.791 0.723 . . . . 10.0 112.091 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.65 -36.51 76.14 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 123.32 0.648 . . . . 10.0 111.724 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -48.85 80.04 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.035 0.834 . . . . 10.0 111.091 171.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.36 95.7 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.486 0.584 . . . . 10.0 112.224 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.47 87.48 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-O 118.621 -0.704 . . . . 10.0 112.588 176.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -58.72 -59.5 5.32 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 117.82 -1.086 . . . . 10.0 109.465 169.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 71.6 mt -49.9 -50.46 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 CA-C-N 119.239 0.927 . . . . 10.0 111.122 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.556 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.1 OUTLIER -60.98 -60.0 4.48 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.558 0.743 . . . . 10.0 112.238 -179.626 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -34.94 78.32 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-O 117.719 -1.134 . . . . 10.0 111.283 -175.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -56.36 -50.73 70.69 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 121.435 1.925 . . . . 10.0 111.128 170.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 3.2 m -57.71 -45.86 85.16 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 122.524 0.329 . . . . 10.0 111.662 177.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.1 83.34 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.252 1.021 . . . . 10.0 113.387 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -45.43 66.85 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.359 1.464 . . . . 10.0 110.055 174.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -65.93 -55.76 15.21 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 117.247 -1.358 . . . . 10.0 112.802 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 26.0 m -55.99 -25.78 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 121.154 1.797 . . . . 10.0 113.692 -173.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.08 -2.34 58.09 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 116.693 2.108 . . . . 10.0 116.693 173.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -141.27 -35.13 0.47 Allowed 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 120.156 1.344 . . . . 10.0 114.01 -169.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -135.97 79.07 45.95 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 129.235 3.014 . . . . 10.0 106.288 170.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -69.39 159.99 51.54 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.501 2.134 . . . . 10.0 112.738 -172.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -88.34 -70.78 1.27 Allowed Glycine 0 C--N 1.34 0.787 0 C-N-CA 124.4 1.0 . . . . 10.0 112.157 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 24.0 ptp -141.36 29.36 1.79 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.306 1.442 . . . . 10.0 111.517 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.001 0 C-N-CA 127.372 2.269 . . . . 10.0 111.989 -170.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.23 27.51 0.13 Allowed Glycine 0 CA--C 1.528 0.895 0 CA-C-O 118.44 -1.2 . . . . 10.0 114.006 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 62.61 -36.95 0.14 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 128.199 2.599 . . . . 10.0 115.479 -175.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.1 t -65.71 -27.58 68.43 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.558 1.072 . . . . 10.0 113.471 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -82.02 -47.22 12.91 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.495 0.718 . . . . 10.0 109.66 169.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -46.1 -45.62 16.47 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 126.385 1.874 . . . . 10.0 111.409 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.565 ' HE ' HD23 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -57.85 -46.92 84.09 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 113.775 1.028 . . . . 10.0 113.775 -172.466 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.67 90.58 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.307 0.958 . . . . 10.0 111.744 174.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.2 mt -68.66 -41.87 78.69 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.063 1.345 . . . . 10.0 110.794 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.565 HD23 ' HE ' ' A' ' 7' ' ' ARG . 56.7 tp -59.83 -54.2 49.05 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 128.666 2.786 . . . . 10.0 110.208 170.185 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.421 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 78.4 m-20 -55.39 -51.01 68.23 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.624 1.17 . . . . 10.0 111.349 -178.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -66.9 -30.49 70.65 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-O 118.427 -0.796 . . . . 10.0 112.44 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mt -75.26 -45.42 40.11 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-O 117.644 -1.169 . . . . 10.0 112.546 177.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.421 ' CE1' ' HA ' ' A' ' 11' ' ' ASP . 2.1 p-80 -68.61 -26.9 65.59 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 121.279 1.854 . . . . 10.0 110.761 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.5 m -62.65 -56.09 20.91 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 117.952 -1.023 . . . . 10.0 109.595 169.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.505 HD22 HD12 ' B' ' 61' ' ' LEU . 6.0 tp -47.36 -52.82 15.43 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.775 1.17 . . . . 10.0 110.771 171.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.479 HD12 HD22 ' B' ' 64' ' ' LEU . 0.8 OUTLIER -67.34 -9.24 39.24 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.486 1.514 . . . . 10.0 114.972 -176.012 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -143.29 13.94 1.81 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 -170.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -49.39 -6.02 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.881 1 C-N-CA 133.143 4.577 . . . . 10.0 118.888 -169.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.273 73.9 p 112.04 -16.98 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.08 1 C-N-CA 133.517 4.727 . . . . 10.0 113.557 -177.855 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -60.9 165.69 3.91 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-O 122.644 1.212 . . . . 10.0 113.177 171.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -143.95 -9.8 0.69 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.535 2.334 . . . . 10.0 114.256 169.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.3 m -47.12 -53.37 13.06 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 128.295 2.638 . . . . 10.0 116.593 -168.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.75 -10.27 11.51 Favored Glycine 0 N--CA 1.471 1.017 0 CA-C-N 118.596 0.634 . . . . 10.0 113.187 168.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.2 mt -57.49 -31.23 65.79 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.802 1.241 . . . . 10.0 111.837 169.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -42.09 -52.98 4.12 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 127.821 2.448 . . . . 10.0 115.676 173.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -59.39 -46.6 88.24 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.416 1.007 . . . . 10.0 112.483 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.471 HD11 HG21 ' B' ' 76' ' ' VAL . 5.4 mt -67.42 -36.4 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 124.054 0.942 . . . . 10.0 109.399 -175.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -80.2 -32.76 38.54 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 117.199 -1.381 . . . . 10.0 113.178 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 -67.85 -35.44 78.57 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 120.378 1.445 . . . . 10.0 111.02 169.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.36 -19.9 57.45 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.272 1.029 . . . . 10.0 113.759 171.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.9 mt -113.49 11.65 18.45 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.676 1.59 . . . . 10.0 112.596 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.22 8.0 53.25 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 125.171 1.367 . . . . 10.0 116.166 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.0 mt -52.38 -46.61 94.6 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 125.887 1.675 . . . . 10.0 113.08 -171.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -59.48 -38.76 81.29 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 122.671 2.247 . . . . 10.0 113.765 173.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -46.29 71.83 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 118.499 0.591 . . . . 10.0 110.792 176.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.467 HD13 ' HE3' ' A' ' 47' ' ' LYS . 68.1 mt -54.34 -41.92 69.64 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.933 0.893 . . . . 10.0 111.914 174.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.455 HG21 ' CB ' ' B' ' 98' ' ' TYR . 79.7 t -61.85 -48.69 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.711 0.804 . . . . 10.0 111.143 172.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -59.51 -38.15 80.18 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.951 0.796 . . . . 10.0 112.599 176.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -67.05 -19.99 65.76 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.431 1.492 . . . . 10.0 113.342 171.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.15 0.39 88.75 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.315 0.96 . . . . 10.0 114.202 -171.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -75.15 70.57 2.12 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.765 2.026 . . . . 10.0 109.834 177.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -130.52 6.46 4.8 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.699 1.6 . . . . 10.0 114.174 -177.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.7 mt -114.07 -15.61 12.24 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.934 1.294 . . . . 10.0 114.075 -169.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.31 -177.46 0.48 Allowed Pre-proline 0 CA--C 1.557 1.246 0 C-N-CA 127.221 2.208 . . . . 10.0 111.309 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -61.7 8.88 0.09 OUTLIER 'Trans proline' 0 CA--C 1.55 1.279 0 C-N-CA 124.249 3.3 . . . . 10.0 115.515 170.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.467 ' HE3' HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.971 0 C-N-CA 130.425 3.49 . . . . 10.0 110.709 178.317 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' B' ' 51' ' ' SER . 34.9 Cg_exo . . . . . 0 N--CA 1.476 0.499 0 CA-C-O 120.787 0.245 . . . . 10.0 111.987 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -118.78 -64.3 1.3 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.514 1.126 . . . . 10.0 113.023 -171.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.34 -43.67 40.05 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 107.897 -1.149 . . . . 10.0 107.897 169.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' B' ' 48' ' ' PRO . 20.3 m -92.14 103.0 15.54 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.519 1.127 . . . . 10.0 109.435 169.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.453 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.1 OUTLIER -89.93 -10.29 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.165 0.586 . . . . 10.0 112.028 -177.327 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 13.0 p -96.6 -3.12 0.1 Allowed Pre-proline 0 N--CA 1.474 0.76 0 N-CA-C 118.851 2.908 . . . . 10.0 118.851 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -64.79 -18.78 63.49 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 CA-C-N 125.73 3.082 . . . . 10.0 113.831 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.8 p -81.42 -53.8 6.0 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 125.038 1.335 . . . . 10.0 110.871 168.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.83 -32.7 53.79 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.889 1.275 . . . . 10.0 113.689 174.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 28.2 tp -58.1 -28.73 64.89 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 127.684 2.394 . . . . 10.0 112.388 172.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -90.25 -59.66 2.13 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.696 0.798 . . . . 10.0 109.44 169.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.81 -48.78 15.72 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 115.965 1.839 . . . . 10.0 115.965 -168.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.71 -39.67 64.15 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 120.937 -1.102 . . . . 10.0 109.304 -176.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.505 HD12 HD22 ' A' ' 16' ' ' LEU . 15.1 tp -54.98 -50.11 69.78 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 117.841 -1.076 . . . . 10.0 109.601 172.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -53.8 -51.87 62.13 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 119.94 1.245 . . . . 10.0 112.083 169.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' THR . . . . . 0.457 HG21 ' HA ' ' B' ' 76' ' ' VAL . 1.0 OUTLIER -57.87 -22.43 48.06 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 127.854 2.462 . . . . 10.0 115.858 -174.747 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.479 HD22 HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -113.26 -19.0 11.95 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.958 1.096 . . . . 10.0 113.958 169.518 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -57.04 -41.98 79.66 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 107.315 -1.365 . . . . 10.0 107.315 168.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 37.9 p -71.12 107.06 2.23 Favored Pre-proline 0 CA--C 1.544 0.713 0 N-CA-C 102.462 -3.162 . . . . 10.0 102.462 165.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.94 150.89 60.97 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 N-CA-C 117.331 2.012 . . . . 10.0 117.331 -167.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 52.7 p -49.93 -35.17 22.97 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 125.723 1.609 . . . . 10.0 114.045 -170.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.8 t -45.94 -65.85 0.6 Allowed Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 125.586 1.555 . . . . 10.0 114.477 -175.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.82 -21.9 15.8 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 122.169 1.912 . . . . 10.0 112.943 169.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -90.27 9.4 28.84 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 116.495 2.035 . . . . 10.0 116.495 -169.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -17.02 9.62 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 127.535 2.334 . . . . 10.0 116.06 -176.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -68.54 168.22 13.35 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.879 1.437 . . . . 10.0 114.879 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -7.15 0.17 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 126.009 1.724 . . . . 10.0 115.627 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLN . . . . . 0.403 ' NE2' HG23 ' B' ' 63' ' ' THR . 2.1 pp0? -53.74 -34.65 59.59 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 120.377 1.444 . . . . 10.0 113.763 169.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.471 HG21 HD11 ' A' ' 28' ' ' ILE . 2.5 t -69.44 -52.6 31.05 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.518 0 N-CA-C 108.383 -0.969 . . . . 10.0 108.383 174.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.92 -37.36 73.93 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.509 1.124 . . . . 10.0 111.173 -174.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -58.84 -39.4 81.15 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 126.253 1.821 . . . . 10.0 113.352 174.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.6 mt -88.64 -39.41 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 123.371 0.668 . . . . 10.0 109.567 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.0 mt -42.89 -54.46 4.17 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 127.83 2.452 . . . . 10.0 111.255 170.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -61.41 -12.54 14.78 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.427 1.269 . . . . 10.0 114.427 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 52.2 p -79.94 -16.6 54.93 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.841 1.423 . . . . 10.0 114.841 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -125.9 103.65 27.21 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 108.543 -0.91 . . . . 10.0 108.543 172.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_exo -59.6 -39.37 75.28 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.313 2.676 . . . . 10.0 113.201 -174.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.8 -42.83 85.3 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.106 0.563 . . . . 10.0 110.548 178.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.87 -42.93 99.94 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.267 1.427 . . . . 10.0 110.542 174.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -52.37 65.9 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.344 0.658 . . . . 10.0 111.355 175.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.88 -42.22 99.69 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 121.876 -0.515 . . . . 10.0 111.711 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.23 -38.73 92.09 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.191 0.905 . . . . 10.0 113.148 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.439 ' CD1' ' HG ' ' A' ' 17' ' ' LEU . 45.8 t80 -56.78 -56.78 17.12 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.4 1.08 . . . . 10.0 109.738 170.12 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 98.2 mt -52.95 -57.65 4.16 Favored 'Isoleucine or valine' 0 C--N 1.35 0.607 0 O-C-N 124.058 0.849 . . . . 10.0 108.902 178.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -60.56 2.99 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.666 1.186 . . . . 10.0 113.005 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.83 -26.84 64.43 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-O 117.124 -1.417 . . . . 10.0 112.017 -176.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 35.9 mmm-85 -64.59 -51.21 63.93 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 120.819 1.645 . . . . 10.0 111.438 169.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.48 -40.8 79.37 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.222 0.919 . . . . 10.0 110.957 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.16 85.3 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.067 0.766 . . . . 10.0 113.067 172.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -44.48 66.54 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.227 1.411 . . . . 10.0 110.349 174.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' TYR . . . . . 0.455 ' CB ' HG21 ' A' ' 38' ' ' VAL . 19.7 m-85 -57.29 -60.48 3.56 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 117.385 -1.293 . . . . 10.0 111.938 174.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 29.6 m -66.72 -19.79 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 114.17 1.174 . . . . 10.0 114.17 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.04 -53.81 11.76 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 118.941 0.791 . . . . 10.0 111.227 169.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -18.07 53.19 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 115.088 1.514 . . . . 10.0 115.088 -178.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -148.89 77.27 9.37 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 128.543 2.737 . . . . 10.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.9 -6.92 0.75 Allowed 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 124.321 3.348 . . . . 10.0 116.655 170.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.8 -49.2 3.08 Favored Glycine 0 N--CA 1.47 0.936 0 CA-C-N 120.04 1.291 . . . . 10.0 110.076 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -73.16 -8.04 54.02 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.435 1.094 . . . . 10.0 111.487 168.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 . . . . . 0 C--O 1.257 1.481 0 C-N-CA 130.868 3.667 . . . . 10.0 107.958 178.357 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 114.297 1.221 . . . . 10.0 114.297 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.35 25.17 3.31 Favored Glycine 0 CA--C 1.537 1.458 0 CA-C-N 120.516 1.507 . . . . 10.0 113.352 -172.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 57.48 3.76 0.2 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 127.905 2.482 . . . . 10.0 116.512 -177.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.1 t -132.1 -3.75 3.53 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 125.538 1.535 . . . . 10.0 114.602 -177.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -89.5 -43.32 10.91 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.381 0.991 . . . . 10.0 110.966 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 pm0 -62.11 -25.03 67.49 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 114.806 1.41 . . . . 10.0 114.806 -169.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.31 -35.83 82.14 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 120.166 1.348 . . . . 10.0 112.396 176.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.92 -43.7 62.1 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.862 0.865 . . . . 10.0 110.963 175.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.49 -44.57 89.45 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.34 1.056 . . . . 10.0 110.091 174.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.26 -49.38 78.05 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 128.537 2.735 . . . . 10.0 110.987 173.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -57.81 -50.88 71.8 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 118.793 0.724 . . . . 10.0 112.886 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -64.88 -38.9 92.51 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 119.913 -0.715 . . . . 10.0 111.386 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.2 mt -70.63 -41.35 72.32 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-O 116.492 -1.718 . . . . 10.0 112.356 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -70.62 -34.17 71.82 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 122.2 2.273 . . . . 10.0 110.871 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.6 m -60.25 -55.78 29.53 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 125.039 1.336 . . . . 10.0 110.794 170.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' B' ' 61' ' ' LEU . 3.3 tp -51.71 -57.52 9.0 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 118.554 0.616 . . . . 10.0 110.685 173.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.484 ' HA ' HD22 ' B' ' 64' ' ' LEU . 7.6 tp -69.35 -9.06 51.67 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 113.299 0.851 . . . . 10.0 113.299 -169.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -134.24 5.97 3.56 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.077 1.51 . . . . 10.0 115.077 -172.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -40.1 -3.61 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.933 1 C-N-CA 135.382 5.473 . . . . 10.0 120.668 -170.011 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.25 81.3 p 109.95 -17.58 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.166 1 C-N-CA 133.33 4.652 . . . . 10.0 114.287 -177.793 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -62.32 163.2 8.77 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 123.47 1.605 . . . . 10.0 112.954 171.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.43 -5.24 0.66 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.41 1.884 . . . . 10.0 113.921 169.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.4 m -43.32 -58.98 2.29 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.931 2.092 . . . . 10.0 116.551 -168.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.95 -12.69 12.0 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-N 118.702 0.683 . . . . 10.0 112.105 168.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.9 mt -55.22 -29.44 57.98 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-O 117.847 -1.073 . . . . 10.0 110.89 168.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.98 -38.1 16.11 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.741 1.617 . . . . 10.0 114.582 174.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -65.44 -53.28 45.09 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.811 1.244 . . . . 10.0 111.968 169.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.4 mm -60.19 -34.83 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 124.797 1.239 . . . . 10.0 110.354 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.5 ' HA ' HD12 ' A' ' 34' ' ' ILE . 78.4 m-20 -64.04 -57.62 9.13 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.603 1.961 . . . . 10.0 110.198 175.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.4 ptt-85 -62.19 -31.52 72.06 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 113.429 0.9 . . . . 10.0 113.429 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.5 -20.04 58.85 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.163 0.985 . . . . 10.0 113.363 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.0 mt -114.14 14.12 18.17 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.4 1.48 . . . . 10.0 112.246 172.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.3 8.07 53.89 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 116.011 1.165 . . . . 10.0 116.011 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 29' ' ' ASP 0.297 51.3 mt -47.14 -50.68 45.68 Favored Pre-proline 0 N--CA 1.475 0.813 0 CA-C-O 116.985 -1.483 . . . . 10.0 113.407 -173.326 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -61.4 -29.56 85.69 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 123.382 2.722 . . . . 10.0 115.179 175.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -72.71 -49.8 28.92 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.927 0.785 . . . . 10.0 110.308 172.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.1 mt -49.47 -48.35 47.79 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.765 1.226 . . . . 10.0 110.471 172.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.478 HG21 ' CB ' ' B' ' 98' ' ' TYR . 24.8 t -54.83 -51.8 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 126.595 1.958 . . . . 10.0 112.886 170.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -59.65 -42.5 92.93 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.738 0.815 . . . . 10.0 113.112 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -75.18 -19.99 59.55 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 114.089 1.144 . . . . 10.0 114.089 173.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.64 3.49 49.73 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 126.508 2.004 . . . . 10.0 114.804 176.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.56 94.67 1.01 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.883 2.073 . . . . 10.0 109.831 177.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -163.0 -24.04 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 116.147 1.906 . . . . 10.0 116.147 -169.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.5 mt -114.41 -11.9 12.44 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.719 1.145 . . . . 10.0 113.33 -169.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.97 176.72 1.04 Allowed Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 127.239 2.216 . . . . 10.0 111.75 173.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -57.7 -5.18 1.66 Allowed 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 124.531 3.488 . . . . 10.0 117.902 176.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 C-N-CA 125.965 1.706 . . . . 10.0 111.197 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo . . . . . 0 N--CA 1.46 -0.462 0 N-CA-C 111.488 -0.236 . . . . 10.0 111.488 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -133.82 -74.21 0.48 Allowed 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 124.106 0.962 . . . . 10.0 109.251 175.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -66.12 -42.32 89.33 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.695 1.134 . . . . 10.0 110.422 168.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 78.9 p -81.09 102.48 10.27 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 108.576 -0.898 . . . . 10.0 108.576 169.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.774 HD13 ' H ' ' B' ' 52' ' ' ILE . 0.2 OUTLIER -89.79 -5.22 10.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 124.872 1.269 . . . . 10.0 112.314 -172.604 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 50.7 p -124.61 5.99 0.06 OUTLIER Pre-proline 0 CA--C 1.546 0.807 0 N-CA-C 118.569 2.803 . . . . 10.0 118.569 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -67.04 -19.57 51.45 Favored 'Trans proline' 0 C--N 1.356 0.947 0 CA-C-N 124.838 2.764 . . . . 10.0 112.677 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 11.9 p -74.78 -58.4 3.31 Favored 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 125.186 1.394 . . . . 10.0 109.854 168.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.423 ' HA ' ' H ' ' B' ' 60' ' ' LEU . . . -54.12 -29.07 43.54 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.859 1.263 . . . . 10.0 113.847 175.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 20.4 tp -59.71 -31.57 69.71 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 127.021 2.129 . . . . 10.0 112.326 171.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -90.91 -39.49 12.25 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.581 1.152 . . . . 10.0 111.355 171.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.24 -59.35 1.85 Allowed 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 116.751 2.13 . . . . 10.0 116.751 -170.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.423 ' H ' ' HA ' ' B' ' 56' ' ' ALA . 3.5 tp -71.03 -32.06 68.71 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 121.693 0.758 . . . . 10.0 110.063 -174.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.42 ' HA ' HD22 ' A' ' 16' ' ' LEU . 36.7 tp -63.9 -54.48 34.16 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 126.022 1.729 . . . . 10.0 111.251 173.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 29.9 ptt-85 -63.77 -35.88 82.04 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 120.124 1.329 . . . . 10.0 111.007 175.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 19.4 m -54.71 -48.41 72.52 Favored 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 126.097 1.759 . . . . 10.0 112.605 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.484 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -93.46 -11.66 31.56 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 114.873 1.434 . . . . 10.0 114.873 174.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -38.53 82.75 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.063 -1.023 . . . . 10.0 109.182 168.036 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 3.8 p -75.76 114.43 36.57 Favored Pre-proline 0 CA--C 1.546 0.798 0 N-CA-C 102.709 -3.071 . . . . 10.0 102.709 166.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.66 159.77 27.09 Favored 'Trans proline' 0 C--N 1.354 0.825 0 N-CA-C 117.074 1.913 . . . . 10.0 117.074 -168.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 21.2 p -59.57 -23.6 63.04 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 113.86 -1.518 . . . . 10.0 114.414 -169.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.7 t -51.86 -66.51 0.71 Allowed Pre-proline 0 CA--C 1.549 0.927 0 CA-C-O 117.63 -1.176 . . . . 10.0 113.247 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.83 -27.81 25.67 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.197 1.931 . . . . 10.0 112.596 169.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -82.0 16.78 1.77 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.845 1.658 . . . . 10.0 114.847 -176.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -61.4 -21.79 64.4 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 128.547 2.739 . . . . 10.0 113.084 172.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -62.83 172.65 1.61 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 123.686 1.708 . . . . 10.0 112.857 177.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -8.96 19.83 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.16 1.384 . . . . 10.0 113.647 -172.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -66.1 -22.75 66.42 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.244 1.384 . . . . 10.0 113.791 -171.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.57 -53.33 22.91 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.249 0 CA-C-N 119.89 1.223 . . . . 10.0 108.218 169.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -58.73 -41.33 86.19 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.115 1.766 . . . . 10.0 110.503 -175.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -68.5 -26.89 65.69 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.55 1.54 . . . . 10.0 112.513 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 28.4 mt -84.66 -47.0 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 119.962 1.256 . . . . 10.0 108.404 169.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 mt -39.31 -56.24 1.58 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 127.82 2.448 . . . . 10.0 113.717 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . 0.263 0.0 OUTLIER -65.39 -6.44 10.24 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 115.431 1.641 . . . . 10.0 115.431 -177.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 58.1 p -87.0 -6.23 58.82 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.969 1.259 . . . . 10.0 114.078 170.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.02 64.87 67.26 Favored Pre-proline 0 N--CA 1.47 0.535 0 N-CA-C 108.225 -1.028 . . . . 10.0 108.225 -172.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -47.01 -47.67 16.15 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 124.749 3.633 . . . . 10.0 116.35 -168.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -67.14 -37.73 84.32 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 119.555 1.07 . . . . 10.0 113.158 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.91 -37.48 84.44 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.72 -0.612 . . . . 10.0 110.163 171.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 5.0 ttt -60.71 -48.14 83.1 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.03 0.932 . . . . 10.0 110.791 175.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.25 97.63 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.141 0.577 . . . . 10.0 112.331 171.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.68 86.46 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.12 0.873 . . . . 10.0 113.197 175.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -59.5 -59.93 4.67 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.084 1.354 . . . . 10.0 108.816 169.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 91.0 mt -47.85 -46.9 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-N 119.632 1.106 . . . . 10.0 111.507 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -61.8 -60.04 4.25 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 113.838 1.051 . . . . 10.0 113.838 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.68 -30.95 66.26 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 120.149 1.341 . . . . 10.0 111.606 -174.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -60.73 -56.88 15.98 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.557 1.526 . . . . 10.0 110.797 170.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 23.5 p -53.68 -45.69 70.41 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 118.461 -0.78 . . . . 10.0 111.789 174.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.3 85.96 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.964 0.906 . . . . 10.0 113.334 175.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.36 -53.9 25.62 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.598 1.559 . . . . 10.0 109.376 172.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 98' ' ' TYR . . . . . 0.478 ' CB ' HG21 ' A' ' 38' ' ' VAL . 27.0 m-85 -61.0 -57.77 11.25 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 116.188 -1.863 . . . . 10.0 111.511 178.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 26.9 m -61.79 -20.38 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 122.499 2.409 . . . . 10.0 113.969 -172.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.46 -48.17 14.39 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 118.985 0.811 . . . . 10.0 111.734 169.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -32.6 70.33 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.649 1.58 . . . . 10.0 113.556 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -152.33 83.61 4.97 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 131.044 3.738 . . . . 10.0 108.934 -169.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -61.15 58.41 0.1 Allowed 'Trans proline' 0 CA--C 1.545 1.067 1 C-N-CA 125.334 4.023 . . . . 10.0 116.641 177.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 69.5 -21.48 0.43 Allowed Glycine 0 CA--C 1.538 1.508 0 C-N-CA 127.237 2.351 . . . . 10.0 116.358 174.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -36.21 83.5 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.027 1.414 . . . . 10.0 114.767 -172.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.191 1.796 . . . . 10.0 110.235 -176.494 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.5 tp10 . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 113.172 0.805 . . . . 10.0 113.172 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.08 21.48 2.19 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.939 1.256 . . . . 10.0 115.808 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 58.65 -45.21 0.06 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 130.732 3.613 . . . . 10.0 114.739 -173.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.7 m -56.65 -42.04 78.25 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 130.968 3.707 . . . . 10.0 112.23 175.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 39.5 p-10 -72.81 -45.09 60.31 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.1 2.16 . . . . 10.0 111.185 172.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -48.39 -40.15 24.77 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 129.088 2.955 . . . . 10.0 112.362 -169.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -38.55 82.43 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 112.846 0.684 . . . . 10.0 112.846 177.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.92 -32.96 65.67 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.955 0.902 . . . . 10.0 112.129 170.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.97 -45.97 83.46 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.46 1.027 . . . . 10.0 110.491 172.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.2 tp -55.1 -51.44 66.39 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.881 1.673 . . . . 10.0 110.316 173.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.424 ' HA ' ' CD2' ' A' ' 14' ' ' HIS 0.255 72.5 m-20 -53.58 -57.24 11.44 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 170.614 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.37 -26.41 67.26 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 119.498 1.045 . . . . 10.0 112.78 -177.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -72.34 -52.58 15.53 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 117.367 -1.301 . . . . 10.0 110.67 172.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 11' ' ' ASP . 7.3 p80 -66.26 -27.42 67.93 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 120.737 1.608 . . . . 10.0 112.141 -178.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.4 m -64.63 -53.77 42.39 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.135 1.374 . . . . 10.0 110.887 169.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 tp -49.34 -53.26 23.12 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 120.042 1.292 . . . . 10.0 110.004 171.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.634 HD12 HD22 ' B' ' 64' ' ' LEU . 2.3 tp -65.59 -14.71 61.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.477 1.511 . . . . 10.0 114.142 -174.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -135.98 21.67 3.27 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.12 0.968 . . . . 10.0 112.506 -171.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -61.4 -12.75 15.64 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 129.628 3.171 . . . . 10.0 115.936 -169.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.261 41.3 p 121.09 -19.45 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.871 1 C-N-CA 133.755 4.822 . . . . 10.0 112.71 -178.816 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -55.26 153.67 6.77 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 120.526 1.512 . . . . 10.0 112.949 174.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -147.82 -11.48 0.39 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.318 2.647 . . . . 10.0 114.826 -178.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.3 t -52.66 -41.33 63.71 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-N 121.747 2.067 . . . . 10.0 115.532 -168.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.9 -17.99 3.65 Favored Glycine 0 C--N 1.322 -0.234 0 O-C-N 124.643 1.214 . . . . 10.0 113.116 170.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.497 HD11 HD21 ' B' ' 64' ' ' LEU . 4.6 mt -57.25 -22.27 40.02 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 117.551 -1.214 . . . . 10.0 111.086 170.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -48.9 -41.05 32.24 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.919 1.236 . . . . 10.0 113.433 169.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -63.4 -51.41 65.94 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.178 0.991 . . . . 10.0 110.558 177.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.5 mm -67.66 -31.08 50.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 123.936 0.894 . . . . 10.0 110.102 -175.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -69.7 -53.97 16.0 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.173 1.389 . . . . 10.0 109.872 173.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.7 ptt85 -68.18 -32.69 73.11 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 118.257 -0.878 . . . . 10.0 112.943 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.2 -19.96 49.82 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.268 1.427 . . . . 10.0 112.398 170.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.4 mt -115.32 12.32 16.37 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.106 1.762 . . . . 10.0 111.611 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.05 14.18 51.88 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.084 1.326 . . . . 10.0 115.691 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.1 mt -52.93 -43.3 93.8 Favored Pre-proline 0 CA--C 1.549 0.919 0 CA-C-N 119.375 1.588 . . . . 10.0 114.796 -169.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -58.91 -26.23 80.23 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.237 1.958 . . . . 10.0 115.261 172.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -83.98 -35.95 23.55 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 118.277 -0.868 . . . . 10.0 110.825 169.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 73.0 mt -57.12 -27.77 62.11 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.786 1.175 . . . . 10.0 112.947 170.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.46 -50.93 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.335 1.054 . . . . 10.0 110.296 169.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -62.4 -41.92 99.04 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.215 1.406 . . . . 10.0 112.336 176.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -68.03 -20.0 64.95 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.805 1.242 . . . . 10.0 113.596 172.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.51 11.12 45.54 Favored Glycine 0 CA--C 1.532 1.142 0 N-CA-C 116.448 1.339 . . . . 10.0 116.448 169.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -58.63 -21.46 53.76 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 120.009 1.905 . . . . 10.0 114.762 -172.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.46 -23.7 67.51 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.906 -1.121 . . . . 10.0 113.233 172.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 68.0 mt -94.96 -15.63 23.41 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.075 1.139 . . . . 10.0 114.075 -172.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -70.05 163.62 59.62 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 124.153 0.981 . . . . 10.0 112.917 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -74.77 -3.82 14.47 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 C-N-CA 123.234 2.623 . . . . 10.0 114.618 170.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.811 0 C-N-CA 128.462 2.705 . . . . 10.0 112.007 -171.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo . . . . . 0 N--CA 1.486 1.04 0 N-CA-C 106.271 -2.242 . . . . 10.0 106.271 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 3.1 p30 179.63 -88.47 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.539 2.336 . . . . 10.0 109.117 -169.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -34.0 77.16 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 119.02 0.827 . . . . 10.0 110.042 169.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.9 p -84.85 103.85 14.28 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 104.914 -2.254 . . . . 10.0 104.914 167.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -8.38 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 125.265 1.426 . . . . 10.0 112.869 -174.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 81.4 p -109.9 -6.12 0.11 Allowed Pre-proline 0 C--O 1.218 -0.581 0 N-CA-C 118.929 2.937 . . . . 10.0 118.929 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -66.28 -19.6 56.0 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 CA-C-N 125.135 2.87 . . . . 10.0 114.077 -172.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 47.0 p -86.57 -49.14 7.76 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.435 1.094 . . . . 10.0 110.362 169.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.23 -29.27 57.69 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.474 1.509 . . . . 10.0 112.79 174.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 53.6 tp -57.32 -29.83 64.26 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 128.974 2.91 . . . . 10.0 112.543 170.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -92.26 -60.41 1.85 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.841 1.256 . . . . 10.0 109.452 168.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.2 -51.73 19.8 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 116.77 2.137 . . . . 10.0 116.77 -168.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.1 tp -77.62 -35.18 53.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 118.844 0.747 . . . . 10.0 110.149 -176.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.47 -52.92 63.54 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 116.828 -1.558 . . . . 10.0 111.197 170.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -64.04 -33.89 76.77 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 121.753 2.07 . . . . 10.0 112.516 176.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 20.8 m -65.16 -21.01 66.72 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.287 1.835 . . . . 10.0 114.555 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.634 HD22 HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -118.06 -13.48 9.98 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 114.271 1.212 . . . . 10.0 114.271 169.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -29.15 69.62 Favored 'General case' 0 C--N 1.345 0.407 0 N-CA-C 108.465 -0.939 . . . . 10.0 108.465 167.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 5.4 p -89.85 111.57 47.07 Favored Pre-proline 0 CA--C 1.552 1.032 0 N-CA-C 101.886 -3.376 . . . . 10.0 101.886 165.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -60.46 162.37 17.89 Favored 'Trans proline' 0 C--N 1.351 0.678 0 N-CA-C 116.285 1.609 . . . . 10.0 116.285 -168.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 49.2 p -63.76 -16.05 60.19 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 117.847 -1.073 . . . . 10.0 113.719 -173.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -56.39 -59.82 10.94 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 120.088 1.313 . . . . 10.0 112.379 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -72.81 -35.13 6.0 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 CA-C-N 120.948 1.374 . . . . 10.0 111.256 168.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -81.93 36.43 0.45 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.578 1.551 . . . . 10.0 113.214 -176.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -78.54 -33.44 47.85 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 125.44 1.496 . . . . 10.0 114.568 -169.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.467 ' NE2' ' H ' ' B' ' 73' ' ' GLN . 2.2 pm0 -68.01 167.12 14.48 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 122.445 1.117 . . . . 10.0 111.381 177.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -65.21 18.52 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 115.604 1.705 . . . . 10.0 115.604 -173.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.8 -24.95 68.0 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.945 1.248 . . . . 10.0 112.748 170.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.79 -52.63 38.01 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 N-CA-C 107.049 -1.463 . . . . 10.0 107.049 169.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.55 -39.57 84.42 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.501 1.52 . . . . 10.0 111.776 -173.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -59.87 -35.27 74.46 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.754 1.222 . . . . 10.0 113.049 174.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 26.5 mt -87.47 -44.02 15.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-N 119.07 0.85 . . . . 10.0 109.971 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.2 mt -39.98 -54.7 2.17 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 128.448 2.699 . . . . 10.0 111.855 172.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -57.62 -18.23 18.91 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.128 1.158 . . . . 10.0 114.128 -174.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 82.4 p -79.82 -14.27 58.81 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 114.764 1.394 . . . . 10.0 114.764 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -124.15 96.37 42.23 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -55.26 -49.27 16.89 Favored 'Trans proline' 0 C--O 1.24 0.581 0 C-N-CA 124.136 3.224 . . . . 10.0 112.793 -173.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -60.29 -48.9 79.77 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.25 1.82 . . . . 10.0 111.369 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.32 -37.79 88.65 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 124.254 1.021 . . . . 10.0 110.611 176.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -52.23 66.27 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.773 1.17 . . . . 10.0 111.464 173.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.12 -44.66 97.0 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.506 0.594 . . . . 10.0 111.839 174.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.05 -39.08 88.49 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.411 1.084 . . . . 10.0 111.874 177.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -59.23 -60.3 4.08 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 124.995 1.318 . . . . 10.0 108.731 169.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 86.6 mt -49.02 -47.99 16.77 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 CA-C-N 119.877 1.217 . . . . 10.0 110.746 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -63.37 -60.61 3.16 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.372 1.069 . . . . 10.0 112.363 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.72 -25.18 61.96 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 117.288 -1.339 . . . . 10.0 111.52 -174.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -63.54 -48.74 76.26 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.397 1.453 . . . . 10.0 110.089 169.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.4 m -58.11 -41.96 84.68 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 122.05 -0.406 . . . . 10.0 111.186 175.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.73 -46.01 90.44 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.656 0.782 . . . . 10.0 112.36 170.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -41.71 64.95 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.8 1.64 . . . . 10.0 111.043 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -63.92 -60.32 3.41 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 118.378 -0.82 . . . . 10.0 111.168 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 33.8 m -62.33 -22.72 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 120.313 1.415 . . . . 10.0 114.185 -177.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.02 -32.93 17.35 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.344 1.609 . . . . 10.0 115.344 176.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.98 -18.7 3.33 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 114.76 1.393 . . . . 10.0 114.76 -169.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -141.71 67.28 23.61 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 124.557 1.143 . . . . 10.0 111.026 170.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.5 87.88 1.47 Allowed 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 122.631 2.221 . . . . 10.0 109.955 -176.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.97 57.12 1.03 Allowed Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.274 1.416 . . . . 10.0 113.683 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 25.6 ptp -150.8 173.69 13.93 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.517 1.927 . . . . 10.0 111.191 -175.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 . . . . . 0 C--O 1.256 1.438 0 C-N-CA 126.368 1.867 . . . . 10.0 109.758 173.733 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 113.221 0.823 . . . . 10.0 113.221 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.38 -23.19 68.65 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-O 118.735 -1.036 . . . . 10.0 112.279 169.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 76.59 58.82 0.04 OUTLIER 'General case' 0 C--O 1.233 0.227 0 C-N-CA 128.506 2.723 . . . . 10.0 109.76 -176.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.9 m -179.94 -42.04 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 128.022 2.529 . . . . 10.0 109.02 -177.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -54.72 -41.06 69.89 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.364 1.466 . . . . 10.0 111.159 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.426 ' HA ' HD12 ' A' ' 9' ' ' LEU . 17.4 pm0 -54.53 -24.85 22.49 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-O 116.242 -1.837 . . . . 10.0 114.863 178.16 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -62.88 -40.59 97.99 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 121.508 1.958 . . . . 10.0 111.719 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.91 -41.36 78.3 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.593 0.633 . . . . 10.0 111.975 175.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 6' ' ' GLU . 10.6 mt -62.01 -44.41 96.78 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 124.306 1.042 . . . . 10.0 110.797 177.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.06 -50.74 72.94 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 129.069 2.948 . . . . 10.0 110.378 173.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -57.2 -53.56 56.72 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 113.276 0.843 . . . . 10.0 113.276 174.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -65.82 -27.42 68.24 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 119.261 0.937 . . . . 10.0 112.866 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -79.42 -42.4 25.5 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.268 0.94 . . . . 10.0 111.683 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -69.92 -29.77 67.01 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.617 1.553 . . . . 10.0 111.779 174.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.0 m -69.13 -41.98 76.64 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 117.926 -1.035 . . . . 10.0 111.15 169.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.68 -55.03 21.85 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 120.117 1.326 . . . . 10.0 110.45 170.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.51 ' HA ' HD22 ' B' ' 64' ' ' LEU . 2.4 mm? -63.39 -19.36 64.6 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 114.46 1.281 . . . . 10.0 114.46 177.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.8 t -108.17 5.25 25.67 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.072 1.749 . . . . 10.0 115.643 -174.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -48.81 -5.81 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 131.004 3.721 . . . . 10.0 118.866 -169.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.6 p 116.84 -18.82 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.074 1 C-N-CA 135.243 5.417 . . . . 10.0 112.695 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -63.72 156.13 27.99 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-O 123.505 1.621 . . . . 10.0 113.217 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.18 -9.28 0.68 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 128.17 2.588 . . . . 10.0 112.793 169.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.1 p -48.76 -59.96 3.13 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.227 2.211 . . . . 10.0 113.851 -169.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.88 -11.02 29.27 Favored Glycine 0 N--CA 1.474 1.197 0 C-N-CA 124.25 0.929 . . . . 10.0 114.331 171.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.667 HD11 HD21 ' B' ' 64' ' ' LEU . 8.0 mt -65.79 -25.77 67.39 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 117.759 -1.115 . . . . 10.0 111.889 169.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -50.03 -41.52 47.6 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 120.079 1.309 . . . . 10.0 112.447 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -59.51 -50.53 73.56 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.482 1.113 . . . . 10.0 111.238 175.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.1 mm -66.9 -35.2 74.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 124.449 1.1 . . . . 10.0 110.062 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -68.84 -49.68 56.37 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.339 1.456 . . . . 10.0 110.013 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 ptt85 -70.38 -35.87 73.76 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 117.982 -1.008 . . . . 10.0 112.06 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.64 -20.49 60.95 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.708 1.003 . . . . 10.0 113.708 172.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.2 mt -115.11 16.96 16.96 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.51 1.524 . . . . 10.0 113.372 175.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.09 15.65 63.23 Favored Glycine 0 C--N 1.345 1.051 0 C-N-CA 123.96 0.79 . . . . 10.0 114.636 171.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.5 mt -59.25 -41.76 89.34 Favored Pre-proline 0 CA--C 1.554 1.101 0 O-C-N 121.375 -1.073 . . . . 10.0 112.915 -171.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -62.88 -27.64 75.0 Favored 'Trans proline' 0 CA--C 1.545 1.062 0 C-N-CA 122.534 2.156 . . . . 10.0 114.757 169.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -74.55 -35.64 63.09 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 120.516 -1.365 . . . . 10.0 110.719 171.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.51 -33.18 75.02 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.998 -1.064 . . . . 10.0 111.629 169.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.5 t -64.35 -52.55 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 169.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -51.68 -40.42 60.03 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.355 1.062 . . . . 10.0 113.301 176.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -72.08 -20.18 61.69 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.331 1.452 . . . . 10.0 114.2 173.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.0 8.2 87.71 Favored Glycine 0 C--N 1.343 0.959 0 C-N-CA 124.956 1.265 . . . . 10.0 114.605 -173.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -79.24 53.11 1.42 Allowed 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 119.166 1.483 . . . . 10.0 112.213 -175.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.418 ' HB2' HG22 ' B' ' 95' ' ' THR . . . -114.0 -11.3 12.78 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 117.019 2.229 . . . . 10.0 117.019 -169.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.9 mt -137.35 -9.09 1.71 Allowed 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 116.047 1.869 . . . . 10.0 116.047 -169.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.6 165.18 55.31 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 125.564 1.546 . . . . 10.0 111.341 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -66.95 7.9 0.39 Allowed 'Trans proline' 0 CA--C 1.554 1.513 0 C-N-CA 123.508 2.805 . . . . 10.0 115.724 171.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.538 0 C-N-CA 125.652 1.581 . . . . 10.0 110.746 169.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.435 ' HA ' ' O ' ' B' ' 51' ' ' SER . 27.7 Cg_exo . . . . . 0 N--CA 1.475 0.41 0 N-CA-C 110.949 -0.443 . . . . 10.0 110.949 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.59 -38.23 1.17 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 114.155 1.168 . . . . 10.0 114.155 -169.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -98.83 -52.04 3.7 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 107.304 -1.369 . . . . 10.0 107.304 169.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.435 ' O ' ' HA ' ' B' ' 48' ' ' PRO . 36.8 m -89.3 114.93 26.38 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 104.04 -2.578 . . . . 10.0 104.04 167.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.447 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.3 OUTLIER -89.6 -20.3 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 CA-C-N 118.607 0.64 . . . . 10.0 110.681 -169.749 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 52.1 p -98.15 1.35 0.08 OUTLIER Pre-proline 0 C--O 1.222 -0.385 0 N-CA-C 119.552 3.168 . . . . 10.0 119.552 -174.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -64.13 -19.25 65.88 Favored 'Trans proline' 0 CA--C 1.549 1.274 0 CA-C-N 126.894 3.498 . . . . 10.0 113.456 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.7 p -81.07 -55.49 4.73 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.843 1.257 . . . . 10.0 110.837 169.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.42 -28.18 66.7 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 118.633 0.651 . . . . 10.0 112.314 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 23.8 tp -57.73 -25.1 59.93 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 127.685 2.394 . . . . 10.0 112.187 170.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -96.36 -58.98 1.93 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.069 0.948 . . . . 10.0 109.77 168.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.81 -38.62 37.77 Favored 'General case' 0 C--N 1.343 0.284 0 N-CA-C 116.853 2.168 . . . . 10.0 116.853 -168.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.0 tp -78.38 -33.99 48.55 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 120.607 1.548 . . . . 10.0 109.925 174.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.67 -55.65 30.76 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-O 117.519 -1.229 . . . . 10.0 111.077 174.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 40.6 ptt85 -57.83 -33.53 68.71 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.5 1.5 . . . . 10.0 112.232 173.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 15.4 m -66.97 -22.82 65.91 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.367 1.467 . . . . 10.0 114.053 -177.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.667 HD21 HD11 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -115.51 -13.46 11.57 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.236 1.198 . . . . 10.0 114.236 169.693 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -65.47 -39.9 92.53 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 107.397 -1.334 . . . . 10.0 107.397 167.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 13.6 p -71.45 120.9 82.54 Favored Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 104.752 -2.314 . . . . 10.0 104.752 167.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -62.93 156.82 51.94 Favored 'Trans proline' 0 C--N 1.354 0.826 0 N-CA-C 116.584 1.725 . . . . 10.0 116.584 -168.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 4.4 m -59.9 3.2 0.06 Allowed 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 129.853 3.261 . . . . 10.0 115.926 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.9 t -77.04 -69.68 0.22 Allowed Pre-proline 0 N--CA 1.468 0.442 0 CA-C-O 117.073 -1.442 . . . . 10.0 110.197 171.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -67.61 -24.77 41.32 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 CA-C-N 122.614 1.969 . . . . 10.0 113.107 169.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -89.54 8.84 29.11 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.389 1.255 . . . . 10.0 114.389 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -58.61 5.25 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 118.003 2.594 . . . . 10.0 118.003 -173.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -139.03 -171.85 3.19 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 123.633 1.682 . . . . 10.0 115.285 -169.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -51.77 -7.87 0.06 Allowed 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 118.437 2.754 . . . . 10.0 118.437 -169.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -66.4 -25.23 66.67 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 121.552 1.978 . . . . 10.0 113.302 171.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.72 -50.41 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 107.618 -1.252 . . . . 10.0 107.618 169.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.98 -38.02 89.45 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.277 1.031 . . . . 10.0 111.612 -173.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -59.03 -43.76 91.67 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 117.725 -1.131 . . . . 10.0 112.729 172.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 33.7 mt -78.29 -43.08 27.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 120.111 1.323 . . . . 10.0 110.006 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.2 mt -40.58 -59.59 1.32 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.637 1.975 . . . . 10.0 112.399 171.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.01 -8.73 17.27 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.58 1.326 . . . . 10.0 114.58 -176.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 52.7 p -88.5 -4.23 58.65 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.951 1.251 . . . . 10.0 114.259 173.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -132.74 73.44 76.14 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 106.479 -1.675 . . . . 10.0 106.479 -178.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -53.84 -33.66 72.17 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 123.307 2.672 . . . . 10.0 114.821 -168.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -68.35 -43.83 76.57 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.619 -0.676 . . . . 10.0 112.183 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.66 -36.85 85.59 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.888 0.875 . . . . 10.0 110.675 169.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 1.7 ttt -61.57 -48.27 81.74 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.052 0.842 . . . . 10.0 111.894 177.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.72 -46.54 90.01 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.699 0.8 . . . . 10.0 111.496 172.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.44 97.25 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.069 -0.967 . . . . 10.0 112.158 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -56.03 -56.79 16.55 Favored 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 125.073 1.349 . . . . 10.0 110.023 169.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 81.6 mt -50.78 -54.88 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.259 0.624 . . . . 10.0 110.529 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -64.32 -56.56 13.67 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.82 0.674 . . . . 10.0 112.82 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -68.06 -33.26 74.22 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 117.43 -1.271 . . . . 10.0 112.307 -176.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' ARG . . . . . 0.404 ' NH1' HD13 ' A' ' 25' ' ' LEU . 26.8 mmm180 -61.02 -41.38 96.44 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 121.559 1.982 . . . . 10.0 109.443 170.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 95' ' ' THR . . . . . 0.418 HG22 ' HB2' ' A' ' 43' ' ' ALA . 4.2 m -60.34 -46.67 89.1 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.139 0.576 . . . . 10.0 111.068 174.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.71 -49.22 73.62 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.697 1.199 . . . . 10.0 111.986 171.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -42.89 66.68 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.87 1.668 . . . . 10.0 111.753 174.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -61.77 -61.06 2.77 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 118.995 0.816 . . . . 10.0 111.071 173.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 21.9 m -59.61 -27.59 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 119.544 1.065 . . . . 10.0 113.072 -175.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.99 -21.49 22.37 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 117.02 2.23 . . . . 10.0 117.02 177.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.67 -23.12 1.42 Allowed 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 115.081 1.511 . . . . 10.0 115.081 -173.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -144.44 69.26 15.48 Favored Pre-proline 0 CA--C 1.552 1.037 0 C-N-CA 125.616 1.566 . . . . 10.0 110.902 172.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.28 171.3 16.31 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 C-N-CA 122.883 2.388 . . . . 10.0 111.775 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -139.64 -99.23 0.42 Allowed Glycine 0 N--CA 1.471 1.009 0 C-N-CA 124.585 1.088 . . . . 10.0 110.897 174.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -75.35 -18.11 60.06 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 112.94 0.719 . . . . 10.0 112.94 169.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 C--O 1.25 1.089 0 C-N-CA 130.477 3.511 . . . . 10.0 107.251 169.894 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.43 11.58 6.06 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 125.488 1.518 . . . . 10.0 113.15 -178.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 63.9 -39.14 0.21 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 129.492 3.117 . . . . 10.0 114.528 -173.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.3 t -65.5 -16.3 63.52 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.389 1.255 . . . . 10.0 114.389 171.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -94.82 -42.91 8.47 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 127.917 2.487 . . . . 10.0 109.831 172.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.423 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 28.4 tt0 -53.03 -53.67 46.68 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 127.018 2.127 . . . . 10.0 111.935 174.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -62.58 -42.25 99.44 Favored 'General case' 0 C--O 1.228 -0.056 0 CA-C-N 118.428 0.558 . . . . 10.0 110.179 -176.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.12 -43.35 92.26 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.401 -0.809 . . . . 10.0 112.846 176.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.427 HD22 ' C ' ' A' ' 9' ' ' LEU 0.32 0.0 OUTLIER -76.88 -30.77 56.36 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.623 1.102 . . . . 10.0 111.816 179.612 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.9 tp -60.78 -48.51 81.48 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.242 1.817 . . . . 10.0 110.384 169.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -57.75 -54.35 47.86 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 113.501 0.926 . . . . 10.0 113.501 169.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -20.97 66.54 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.445 1.021 . . . . 10.0 113.056 -179.153 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.46 -37.67 18.07 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-O 116.264 -1.827 . . . . 10.0 113.265 171.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . 0.274 8.4 p80 -69.97 -21.36 63.25 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 122.797 2.544 . . . . 10.0 111.45 171.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.2 m -69.02 -20.34 64.13 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.42 1.088 . . . . 10.0 112.007 168.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 tp -90.96 -60.42 1.91 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.256 1.023 . . . . 10.0 110.84 170.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.568 HD12 HD22 ' B' ' 64' ' ' LEU . 8.5 tp -69.24 -6.69 30.81 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 129.018 2.927 . . . . 10.0 112.208 -171.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 61.7 m -152.05 35.73 0.54 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.802 1.641 . . . . 10.0 109.946 170.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -46.32 -54.51 8.82 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.045 1.738 . . . . 10.0 110.844 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.9 p -157.19 -69.62 0.1 Allowed 'General case' 0 C--O 1.214 -0.772 0 C-N-CA 130.945 3.698 . . . . 10.0 106.483 171.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -148.88 -172.9 4.22 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.955 1.702 . . . . 10.0 110.604 171.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.61 155.63 22.11 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 129.136 2.974 . . . . 10.0 105.626 168.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.2 p -54.04 -54.1 43.84 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.229 1.411 . . . . 10.0 112.111 -175.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.37 -22.18 76.25 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 119.314 -0.715 . . . . 10.0 113.496 174.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp -56.34 -32.62 64.87 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 115.278 1.585 . . . . 10.0 115.278 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -54.57 -59.09 5.17 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.71 1.204 . . . . 10.0 112.019 170.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -61.21 -49.76 75.85 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 128.273 2.629 . . . . 10.0 110.838 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.2 mt -56.23 -41.26 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.662 1.185 . . . . 10.0 110.689 174.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.401 ' CG ' ' HE ' ' B' ' 94' ' ' ARG . 88.4 m-20 -66.5 -51.44 56.69 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 119.679 1.127 . . . . 10.0 110.395 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 -66.45 -28.48 68.63 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.896 -1.127 . . . . 10.0 112.435 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.86 -20.17 63.42 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.708 1.14 . . . . 10.0 112.578 169.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.5 mt -116.6 14.09 15.39 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 127.325 2.25 . . . . 10.0 113.295 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 57.79 24.47 53.66 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.765 1.174 . . . . 10.0 115.106 174.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.6 mm -52.85 -42.63 90.77 Favored Pre-proline 0 CA--C 1.556 1.188 0 CA-C-N 118.96 1.38 . . . . 10.0 112.742 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.17 -40.47 84.63 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.56 2.173 . . . . 10.0 115.323 175.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -68.36 -45.9 71.56 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.304 -0.872 . . . . 10.0 110.914 173.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.53 -30.86 70.01 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.305 1.442 . . . . 10.0 112.473 177.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 t -54.27 -49.69 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 126.114 1.766 . . . . 10.0 110.308 169.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.92 -22.55 49.47 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 118.663 -0.685 . . . . 10.0 112.481 179.06 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -69.31 -30.65 68.76 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.185 0.902 . . . . 10.0 112.759 170.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.31 14.17 19.08 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.505 1.05 . . . . 10.0 114.507 -178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -57.13 -19.2 18.58 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.945 1.698 . . . . 10.0 113.131 -173.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.04 -30.09 69.23 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 114.282 1.216 . . . . 10.0 114.282 171.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.5 mt -120.54 -14.76 8.61 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.82 1.248 . . . . 10.0 113.539 -169.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -58.25 156.85 19.28 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 123.688 0.795 . . . . 10.0 112.155 171.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -75.22 -0.51 10.13 Favored 'Trans proline' 0 CA--C 1.548 1.209 0 C-N-CA 123.454 2.769 . . . . 10.0 114.584 174.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.208 0 C-N-CA 130.283 3.433 . . . . 10.0 109.754 178.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' B' ' 51' ' ' SER . 18.0 Cg_endo . . . . . 0 N--CA 1.479 0.634 0 N-CA-C 107.862 -1.63 . . . . 10.0 107.862 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -132.1 -41.06 1.02 Allowed 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.6 -0.727 . . . . 10.0 112.714 -167.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -96.52 -64.18 1.07 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 104.986 -2.228 . . . . 10.0 104.986 168.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.476 ' O ' ' HA ' ' B' ' 48' ' ' PRO . 4.5 m -85.68 113.72 22.1 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 106.991 -1.485 . . . . 10.0 106.991 170.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.767 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.1 OUTLIER -89.72 -12.12 9.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 124.46 1.104 . . . . 10.0 111.351 -168.789 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 31.9 p -105.86 5.07 0.08 OUTLIER Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 118.555 2.798 . . . . 10.0 118.555 -172.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -65.65 -19.49 59.88 Favored 'Trans proline' 0 CA--C 1.547 1.162 0 CA-C-N 125.96 3.164 . . . . 10.0 112.997 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 15.4 p -79.43 -52.56 7.9 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.664 1.586 . . . . 10.0 111.229 169.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.17 -29.96 61.57 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.342 1.457 . . . . 10.0 113.525 173.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.0 tp -54.53 -29.11 49.7 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.585 1.554 . . . . 10.0 112.26 169.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -92.17 -60.24 1.9 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.53 1.132 . . . . 10.0 109.374 169.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.44 -47.2 28.31 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 115.696 1.739 . . . . 10.0 115.696 -169.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 tp -70.64 -36.21 73.3 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.804 1.184 . . . . 10.0 110.575 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 tp -54.25 -59.02 5.23 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.376 1.07 . . . . 10.0 109.714 169.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -50.08 -47.57 53.61 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 126.228 1.811 . . . . 10.0 112.094 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' THR . . . . . 0.413 ' CG2' ' HA ' ' B' ' 76' ' ' VAL . 1.1 m -60.75 -19.92 60.15 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 127.076 2.15 . . . . 10.0 115.303 -176.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.568 HD22 HD12 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -117.01 -18.34 10.13 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 124.304 1.003 . . . . 10.0 113.468 169.81 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -29.76 67.71 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 117.691 -1.147 . . . . 10.0 112.635 170.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 12.7 p -87.75 148.07 42.85 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 124.767 1.227 . . . . 10.0 108.068 168.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -62.64 122.83 11.33 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.332 2.021 . . . . 10.0 115.6 -168.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 43.8 p -56.88 16.71 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 130.542 3.537 . . . . 10.0 116.075 173.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 14.7 t -86.31 -74.12 0.06 OUTLIER Pre-proline 0 CA--C 1.543 0.681 0 C-N-CA 126.42 1.888 . . . . 10.0 108.421 169.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.49 -27.64 22.73 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 CA-C-N 121.721 1.65 . . . . 10.0 111.149 169.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -80.09 57.8 2.79 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 125.895 1.678 . . . . 10.0 111.544 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -174.92 0.08 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 130.104 3.362 . . . . 10.0 114.298 -174.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -53.09 -59.64 4.29 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 125.913 1.685 . . . . 10.0 113.852 -174.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -53.63 -48.0 69.74 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 118.676 -0.678 . . . . 10.0 112.746 -169.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -67.13 -28.12 67.88 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 117.185 -1.388 . . . . 10.0 113.621 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.413 ' HA ' ' CG2' ' B' ' 63' ' ' THR . 2.5 t -72.83 -52.41 22.8 Favored 'Isoleucine or valine' 0 C--N 1.344 0.348 0 C-N-CA 118.446 -1.302 . . . . 10.0 107.933 170.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -37.4 80.43 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.737 0.815 . . . . 10.0 111.705 -172.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -59.17 -36.98 76.27 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.19 1.796 . . . . 10.0 113.712 171.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 17.2 mt -90.22 -35.15 7.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 119.855 1.207 . . . . 10.0 109.934 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 6.8 mt -46.89 -57.05 5.33 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.902 2.081 . . . . 10.0 110.334 168.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -8.09 17.98 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.344 1.238 . . . . 10.0 114.344 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 28.5 p -83.21 -10.84 58.36 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.784 1.401 . . . . 10.0 114.784 170.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -137.01 74.27 50.58 Favored Pre-proline 0 C--N 1.324 -0.518 0 C-N-CA 123.371 0.668 . . . . 10.0 111.562 174.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -44.37 -33.68 6.53 Favored 'Trans proline' 0 CA--C 1.542 0.902 1 C-N-CA 126.281 4.654 . . . . 10.0 116.071 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -69.63 -42.96 73.6 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 120.996 -1.065 . . . . 10.0 112.852 173.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tt -64.53 -39.85 94.53 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.711 0.805 . . . . 10.0 110.148 169.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -48.1 80.95 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.294 1.437 . . . . 10.0 112.912 175.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.64 -46.82 88.87 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.253 -0.88 . . . . 10.0 111.779 171.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.46 79.19 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.998 0.74 . . . . 10.0 112.998 175.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -58.74 -60.6 3.57 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 125.185 1.394 . . . . 10.0 110.302 170.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 82.5 mt -50.66 -46.84 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 118.769 0.713 . . . . 10.0 110.926 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -58.06 -60.61 3.47 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.056 1.742 . . . . 10.0 112.546 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -35.22 77.74 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.627 1.103 . . . . 10.0 110.98 -176.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 94' ' ' ARG . . . . . 0.401 ' HE ' ' CG ' ' A' ' 29' ' ' ASP . 25.1 mmm180 -55.94 -49.23 74.07 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.454 -1.404 . . . . 10.0 110.802 169.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.0 m -63.49 -45.11 92.21 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 119.111 -0.471 . . . . 10.0 111.622 176.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.52 87.13 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.024 0.93 . . . . 10.0 112.593 176.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -48.46 -57.64 5.82 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 124.942 1.297 . . . . 10.0 109.494 169.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -56.74 -59.94 4.29 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 118.348 -0.834 . . . . 10.0 112.581 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 17.3 m -60.53 -25.54 34.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 CA-C-N 120.27 1.395 . . . . 10.0 113.54 -175.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.51 -7.49 54.84 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 115.899 1.815 . . . . 10.0 115.899 175.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -142.8 -32.53 0.48 Allowed 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.247 1.203 . . . . 10.0 114.247 -170.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -141.96 70.02 23.84 Favored Pre-proline 0 CA--C 1.554 1.108 0 C-N-CA 127.03 2.132 . . . . 10.0 109.861 173.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.29 76.23 3.15 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.653 2.902 . . . . 10.0 111.7 -176.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.49 67.36 1.91 Allowed Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.863 1.221 . . . . 10.0 111.541 173.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 16.1 ptm -141.93 156.79 45.49 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.232 1.413 . . . . 10.0 113.141 -174.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.124 1.77 . . . . 10.0 110.884 175.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 113.139 0.792 . . . . 10.0 113.139 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -93.2 -21.99 28.52 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-N 119.991 1.269 . . . . 10.0 113.61 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 105.39 -31.89 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.353 1 C-N-CA 131.975 4.11 . . . . 10.0 110.932 177.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.9 m -59.61 -29.48 68.02 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.841 1.256 . . . . 10.0 111.023 170.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -73.11 -60.97 1.98 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.321 1.048 . . . . 10.0 109.252 169.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.499 ' HA ' HD12 ' A' ' 9' ' ' LEU . 7.8 tt0 -55.81 -38.71 70.35 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 117.565 -1.207 . . . . 10.0 112.541 -173.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -56.65 -36.51 69.6 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 120.596 1.543 . . . . 10.0 112.502 -170.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.36 -44.4 75.3 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.772 0.715 . . . . 10.0 112.737 171.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 6' ' ' GLU . 5.2 mt -61.01 -45.48 94.66 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 125.706 1.602 . . . . 10.0 110.198 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.31 -50.51 69.75 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 130.028 3.331 . . . . 10.0 110.351 176.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -57.68 -51.92 67.57 Favored 'General case' 0 C--N 1.344 0.34 0 N-CA-C 113.961 1.097 . . . . 10.0 113.961 173.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -64.54 -32.02 73.48 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-N 119.529 1.059 . . . . 10.0 112.53 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.6 tp -75.94 -43.58 44.18 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.183 0.901 . . . . 10.0 111.418 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -68.88 -30.93 69.54 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.907 1.231 . . . . 10.0 111.157 176.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.5 m -63.9 -50.55 68.3 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 117.485 -1.245 . . . . 10.0 110.234 169.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.489 HD22 HD12 ' B' ' 61' ' ' LEU . 4.1 tp -51.01 -52.8 39.26 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.675 1.125 . . . . 10.0 111.249 173.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.718 HD13 HD22 ' B' ' 64' ' ' LEU . 1.7 mm? -62.32 -22.33 65.97 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.832 1.049 . . . . 10.0 113.832 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.431 ' HA ' HH11 ' B' ' 94' ' ' ARG . 2.5 m -120.37 15.21 12.13 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.037 1.125 . . . . 10.0 114.037 -168.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -55.82 -0.24 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 130.756 3.622 . . . . 10.0 117.727 -169.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.8 p 111.31 -25.35 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.228 1 C-N-CA 134.442 5.097 . . . . 10.0 111.906 -175.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -61.31 157.47 16.42 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 123.523 1.63 . . . . 10.0 113.661 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -146.82 -1.01 0.7 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.121 2.168 . . . . 10.0 113.872 170.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 m -47.07 -48.84 22.43 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.741 2.016 . . . . 10.0 116.043 -168.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.66 -14.11 5.38 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 125.013 1.292 . . . . 10.0 112.655 169.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.557 HD11 HD21 ' B' ' 64' ' ' LEU . 4.0 mt -59.46 -24.63 63.71 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 121.653 -0.91 . . . . 10.0 110.878 169.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -41.99 -43.25 3.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.814 2.045 . . . . 10.0 114.715 170.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.16 -52.25 63.17 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.768 0.827 . . . . 10.0 112.603 172.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.1 mm -67.93 -28.34 40.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.184 1.394 . . . . 10.0 109.241 -174.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.531 ' HA ' HD12 ' A' ' 34' ' ' ILE . 75.4 m-20 -70.87 -53.91 13.45 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.885 1.674 . . . . 10.0 110.92 172.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 ptt-85 -63.26 -34.17 77.08 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 117.842 -1.075 . . . . 10.0 112.396 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.9 -20.54 37.81 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.288 1.035 . . . . 10.0 113.782 175.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 mt -117.46 12.25 14.12 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.494 1.518 . . . . 10.0 111.715 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.14 11.91 64.69 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 124.251 0.929 . . . . 10.0 115.262 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 29' ' ' ASP 0.279 33.2 mt -50.13 -49.68 74.13 Favored Pre-proline 0 CA--C 1.547 0.857 0 CA-C-N 118.952 1.376 . . . . 10.0 113.771 -173.749 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -59.85 -26.1 81.31 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 122.543 2.162 . . . . 10.0 114.702 174.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -79.29 -37.71 37.1 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.164 -0.96 . . . . 10.0 111.72 172.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.4 mt -59.47 -30.12 68.3 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.332 0.515 . . . . 10.0 111.71 170.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.4 -59.31 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.761 1.624 . . . . 10.0 110.52 169.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -53.12 -48.01 68.18 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.938 0.895 . . . . 10.0 112.811 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -66.45 -19.9 65.91 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.708 1.603 . . . . 10.0 113.297 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.24 0.89 87.42 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-O 118.734 -1.037 . . . . 10.0 115.306 -174.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -51.45 -27.6 10.79 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 118.759 1.279 . . . . 10.0 112.086 170.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.427 ' HB2' HG22 ' B' ' 95' ' ' THR . . . -40.86 -34.23 0.38 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.652 1.981 . . . . 10.0 114.611 169.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.8 mt -81.52 -10.85 59.38 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.868 1.433 . . . . 10.0 114.868 -178.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -78.69 172.91 8.64 Favored Pre-proline 0 CA--C 1.547 0.858 0 CA-C-N 119.576 1.08 . . . . 10.0 111.964 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -63.01 -6.52 9.69 Favored 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 123.127 2.551 . . . . 10.0 114.04 168.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.185 0 C-N-CA 129.652 3.181 . . . . 10.0 110.975 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' B' ' 51' ' ' SER . 41.0 Cg_exo . . . . . 0 CA--C 1.535 0.54 0 N-CA-C 110.945 -0.444 . . . . 10.0 110.945 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -112.26 -66.98 1.03 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.855 1.262 . . . . 10.0 111.699 -169.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.55 HH12 ' NE2' ' B' ' 85' ' ' GLN . 42.1 tpt85 -81.89 -44.63 16.57 Favored 'General case' 0 C--N 1.343 0.295 0 CA-C-N 118.731 0.696 . . . . 10.0 109.265 170.39 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' B' ' 48' ' ' PRO . 23.9 m -84.02 101.85 12.06 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 104.748 -2.316 . . . . 10.0 104.748 168.312 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.503 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.1 OUTLIER -89.74 -22.66 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 109.393 -0.595 . . . . 10.0 109.393 -171.182 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 50.3 p -88.84 1.36 0.06 OUTLIER Pre-proline 0 N--CA 1.465 0.282 0 N-CA-C 119.828 3.27 . . . . 10.0 119.828 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -64.11 -19.25 65.95 Favored 'Trans proline' 0 CA--C 1.549 1.274 0 CA-C-N 127.294 3.641 . . . . 10.0 113.346 174.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.1 p -81.01 -53.1 6.72 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.498 1.519 . . . . 10.0 111.397 169.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.77 -29.03 67.91 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.382 1.473 . . . . 10.0 111.903 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 20.6 tp -56.59 -22.05 31.03 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.967 2.507 . . . . 10.0 111.229 169.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -98.77 -58.81 1.86 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.401 1.08 . . . . 10.0 108.71 168.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.09 -39.05 34.73 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 117.537 2.421 . . . . 10.0 117.537 -168.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 tp -79.07 -34.63 43.5 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.428 1.013 . . . . 10.0 109.611 174.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.489 HD12 HD22 ' A' ' 16' ' ' LEU . 22.1 tp -61.65 -51.88 66.64 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 117.549 -1.215 . . . . 10.0 111.326 174.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 41.2 ptt85 -58.12 -41.25 83.22 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 120.611 1.551 . . . . 10.0 111.071 171.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 7.8 m -58.33 -33.35 69.41 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.916 1.686 . . . . 10.0 113.64 -176.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.718 HD22 HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -105.59 -12.69 15.85 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.238 1.199 . . . . 10.0 114.238 173.096 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -58.58 -42.77 88.8 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 106.808 -1.553 . . . . 10.0 106.808 167.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 14.1 p -73.01 112.34 15.06 Favored Pre-proline 0 CA--C 1.543 0.711 0 N-CA-C 101.65 -3.463 . . . . 10.0 101.65 165.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -67.85 161.99 41.57 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 121.558 1.505 . . . . 10.0 115.519 -168.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 16.3 p -57.36 -23.91 51.95 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 115.757 1.762 . . . . 10.0 115.757 -169.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 32.5 t -46.7 -67.11 0.42 Allowed Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.604 1.161 . . . . 10.0 113.93 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.41 -20.78 18.0 Favored 'Trans proline' 0 CA--C 1.552 1.385 0 C-N-CA 121.863 1.709 . . . . 10.0 113.0 169.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -89.9 18.25 5.91 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.341 1.856 . . . . 10.0 114.653 -172.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.44 4.34 0.38 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.404 1.881 . . . . 10.0 115.254 -175.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -105.34 175.99 5.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 124.274 1.988 . . . . 10.0 115.783 -169.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -48.01 -13.52 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 128.137 2.575 . . . . 10.0 116.118 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -68.28 -22.48 64.74 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 121.425 1.92 . . . . 10.0 113.286 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -73.89 -53.22 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 107.453 -1.314 . . . . 10.0 107.453 169.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.448 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 0.6 OUTLIER -59.44 -38.14 79.92 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.888 1.275 . . . . 10.0 111.25 -173.074 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -62.79 -28.66 70.14 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.98 1.312 . . . . 10.0 113.584 175.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 23.0 mt -90.14 -45.3 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-N 119.98 1.264 . . . . 10.0 109.839 172.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 11.4 mt -39.8 -59.6 1.14 Allowed 'General case' 0 C--N 1.344 0.355 0 C-N-CA 127.077 2.151 . . . . 10.0 112.891 172.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -13.19 52.96 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 114.28 1.215 . . . . 10.0 114.28 -173.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 52.2 p -82.25 -4.91 58.05 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.129 1.159 . . . . 10.0 114.129 173.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -134.16 82.54 47.58 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 119.211 0.914 . . . . 10.0 110.275 -174.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -49.64 -44.68 34.64 Favored 'Trans proline' 0 CA--C 1.535 0.542 0 C-N-CA 123.629 2.886 . . . . 10.0 115.516 -172.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.55 ' NE2' HH12 ' B' ' 50' ' ' ARG . 18.4 mt-30 -63.21 -45.69 90.5 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.445 0.535 . . . . 10.0 112.445 175.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.49 -35.61 80.69 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 118.478 -0.772 . . . . 10.0 110.745 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -49.21 74.06 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 120.009 1.277 . . . . 10.0 112.135 175.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.54 98.9 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.177 -0.952 . . . . 10.0 112.008 173.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.12 -37.26 86.51 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 118.21 -0.9 . . . . 10.0 112.856 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -57.8 -59.6 4.97 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 126.2 1.8 . . . . 10.0 108.361 169.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.37 -51.29 42.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 119.475 1.034 . . . . 10.0 110.719 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -61.0 2.95 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.654 1.182 . . . . 10.0 111.796 178.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -32.62 70.4 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 117.589 -1.196 . . . . 10.0 111.738 -173.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 94' ' ' ARG . . . . . 0.431 HH11 ' HA ' ' A' ' 18' ' ' SER . 27.5 mmm180 -61.16 -49.86 75.5 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 121.797 2.09 . . . . 10.0 109.88 170.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' THR . . . . . 0.427 HG22 ' HB2' ' A' ' 43' ' ' ALA . 2.7 m -61.33 -40.06 92.81 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.618 -0.676 . . . . 10.0 111.581 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.92 -48.29 81.12 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.871 0.869 . . . . 10.0 112.462 171.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -42.2 65.48 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.673 1.189 . . . . 10.0 111.104 177.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -61.2 -59.81 4.73 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 117.782 -1.104 . . . . 10.0 111.972 172.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 26.1 m -62.31 -24.71 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 120.366 1.439 . . . . 10.0 113.181 -176.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.19 -15.7 62.48 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.697 1.369 . . . . 10.0 114.697 171.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -128.86 -19.66 3.61 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 115.046 1.498 . . . . 10.0 115.046 -178.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -146.8 85.2 7.19 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 130.04 3.336 . . . . 10.0 108.412 171.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -74.87 74.14 4.03 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.894 2.396 . . . . 10.0 111.819 -177.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.12 12.01 0.05 OUTLIER Glycine 0 CA--C 1.539 1.555 0 C-N-CA 127.109 2.29 . . . . 10.0 116.988 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.26 -0.57 7.04 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 127.872 2.469 . . . . 10.0 113.318 177.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 . . . . . 0 C--O 1.246 0.87 0 C-N-CA 124.285 1.034 . . . . 10.0 112.601 173.175 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 112.849 0.685 . . . . 10.0 112.849 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.86 15.36 32.32 Favored Glycine 0 CA--C 1.532 1.108 0 CA-C-N 119.814 1.188 . . . . 10.0 113.222 -175.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 60.7 -30.28 0.06 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 130.742 3.617 . . . . 10.0 115.03 -176.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.0 t -66.69 -20.38 65.96 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 117.542 -1.218 . . . . 10.0 112.277 169.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -89.31 -33.67 16.84 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 119.626 1.103 . . . . 10.0 109.526 169.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.464 ' OE2' HD12 ' B' ' 52' ' ' ILE . 17.5 tt0 -56.2 -58.75 6.61 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 118.054 -0.974 . . . . 10.0 111.329 172.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 mmm-85 -59.54 -38.97 82.46 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 119.071 -1.052 . . . . 10.0 112.798 -169.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.86 -49.18 73.77 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.773 0.829 . . . . 10.0 112.784 171.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.533 HD22 ' C ' ' A' ' 9' ' ' LEU 0.392 0.0 OUTLIER -71.97 -32.4 67.22 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 120.08 1.309 . . . . 10.0 113.16 -178.588 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.6 tp -63.11 -46.9 85.12 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 128.874 2.869 . . . . 10.0 110.097 170.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -58.16 -54.14 50.39 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.423 0.898 . . . . 10.0 113.423 172.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.493 ' HG3' ' HA ' ' A' ' 9' ' ' LEU . 3.9 pp0? -63.71 -29.33 70.57 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.342 0.974 . . . . 10.0 113.113 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.0 tp -75.06 -40.17 60.44 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.921 0.782 . . . . 10.0 111.868 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -73.23 -26.23 61.05 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.662 1.119 . . . . 10.0 111.952 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.4 m -63.19 -51.4 66.49 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.381 0.991 . . . . 10.0 110.554 169.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.5 tp -49.46 -53.65 21.89 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.704 0.802 . . . . 10.0 110.461 171.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.603 HD22 ' CE1' ' B' ' 90' ' ' PHE . 6.2 mt -65.17 -4.6 5.23 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.098 1.518 . . . . 10.0 115.098 176.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.586 ' HB2' ' HE3' ' B' ' 97' ' ' LYS . 84.8 p -138.61 15.64 2.73 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 119.523 -1.986 . . . . 10.0 114.626 -172.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -53.5 -6.83 0.08 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 131.174 3.79 . . . . 10.0 116.736 -177.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.7 p 117.56 -17.61 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.432 1 C-N-CA 135.167 5.387 . . . . 10.0 113.341 178.385 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -66.76 149.86 49.94 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 122.551 1.167 . . . . 10.0 113.497 173.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.64 -3.13 1.69 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.436 2.294 . . . . 10.0 113.805 170.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.7 m -50.17 -53.65 26.31 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 126.737 2.015 . . . . 10.0 113.669 -169.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.87 -25.04 8.71 Favored Glycine 0 CA--C 1.524 0.607 0 CA-C-O 119.482 -0.621 . . . . 10.0 113.776 171.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.28 -24.23 67.58 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 117.914 -1.041 . . . . 10.0 112.357 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -47.28 -42.97 21.91 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.329 1.052 . . . . 10.0 111.093 168.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.8 -51.02 68.72 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.776 1.171 . . . . 10.0 112.162 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.0 mm -59.74 -40.66 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 123.915 0.886 . . . . 10.0 109.768 176.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -74.52 -39.1 62.6 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 124.578 1.151 . . . . 10.0 110.732 -173.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -68.12 -34.82 77.08 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 119.686 1.13 . . . . 10.0 112.071 169.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.22 -20.02 62.32 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.295 0.952 . . . . 10.0 113.174 170.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.0 mt -108.36 10.88 27.46 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 125.811 1.644 . . . . 10.0 112.056 174.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.27 7.41 51.63 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 125.393 1.473 . . . . 10.0 115.224 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.264 59.5 mt -53.16 -46.04 97.98 Favored Pre-proline 0 CA--C 1.541 0.607 0 C-N-CA 126.032 1.733 . . . . 10.0 115.157 -170.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -53.52 -40.77 77.67 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 122.585 2.19 . . . . 10.0 113.62 170.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -75.88 -25.31 56.0 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.641 1.109 . . . . 10.0 113.054 174.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.28 -33.35 75.11 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 120.037 1.289 . . . . 10.0 111.296 169.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.591 HG21 ' HB2' ' B' ' 98' ' ' TYR . 91.7 t -66.94 -60.61 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.485 1.114 . . . . 10.0 110.078 169.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -57.66 -39.86 78.04 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.351 0.523 . . . . 10.0 111.842 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . 2.296 29.3 pt20 -59.19 -19.75 47.99 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 129.316 3.046 . . . . 10.0 114.435 175.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.38 -10.37 16.86 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.521 1.534 . . . . 10.0 113.991 -169.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -57.94 -15.79 10.02 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.316 1.846 . . . . 10.0 113.423 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.3 -28.07 39.74 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.945 1.698 . . . . 10.0 113.036 169.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.5 mt -79.76 -7.58 58.73 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.995 1.318 . . . . 10.0 114.191 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -72.35 169.72 15.67 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 124.666 1.186 . . . . 10.0 112.447 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -63.04 -24.81 73.59 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 122.468 2.112 . . . . 10.0 113.919 168.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.256 1.402 0 C-N-CA 128.158 2.583 . . . . 10.0 110.737 170.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' B' ' 51' ' ' SER . 23.5 Cg_endo . . . . . 0 N--CA 1.481 0.762 0 N-CA-C 108.338 -1.447 . . . . 10.0 108.338 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -126.64 -41.0 1.88 Allowed 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 113.843 1.053 . . . . 10.0 113.843 -167.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . 0.269 0.0 OUTLIER -117.66 -5.4 11.14 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.484 1.113 . . . . 10.0 112.563 168.137 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.459 ' O ' ' HA ' ' B' ' 48' ' ' PRO . 70.7 m -126.81 98.44 5.36 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 101.054 -3.684 . . . . 10.0 101.054 167.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.489 ' H ' HD12 ' B' ' 52' ' ' ILE . 1.5 mp -89.6 -15.25 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 119.53 1.059 . . . . 10.0 110.583 -169.109 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 3.5 p -98.21 6.09 0.07 OUTLIER Pre-proline 0 CA--C 1.543 0.698 0 N-CA-C 118.821 2.897 . . . . 10.0 118.821 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -63.12 -18.8 66.81 Favored 'Trans proline' 0 CA--C 1.551 1.362 0 CA-C-N 126.585 3.388 . . . . 10.0 113.269 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.4 p -78.5 -53.91 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 125.942 1.697 . . . . 10.0 111.175 169.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.9 -26.78 62.63 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.255 1.422 . . . . 10.0 112.562 172.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.51 -22.87 62.24 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.595 1.958 . . . . 10.0 112.317 170.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -94.37 -59.96 1.83 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.248 1.019 . . . . 10.0 108.759 169.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.99 -53.77 9.33 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.766 1.395 . . . . 10.0 114.766 -169.233 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.0 tp -68.23 -34.77 76.85 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.527 -1.358 . . . . 10.0 110.345 178.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.54 -60.65 3.14 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 117.606 -1.188 . . . . 10.0 110.471 170.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -35.49 70.6 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 120.327 1.421 . . . . 10.0 112.197 178.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' THR . . . . . 0.438 HG21 ' HA ' ' B' ' 76' ' ' VAL . 1.2 m -62.63 -20.96 65.31 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.447 1.899 . . . . 10.0 115.285 -179.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -117.52 -19.34 9.48 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 124.817 1.323 . . . . 10.0 113.635 172.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -61.63 -40.72 95.88 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 107.71 -1.218 . . . . 10.0 107.71 167.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 10.3 p -68.46 127.94 93.14 Favored Pre-proline 0 CA--C 1.546 0.805 0 N-CA-C 105.515 -2.032 . . . . 10.0 105.515 167.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.03 151.88 45.28 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 121.496 1.464 . . . . 10.0 114.982 -168.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 1.1 m -58.37 15.67 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.751 1 C-N-CA 131.885 4.074 . . . . 10.0 116.024 -170.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.2 t -76.52 -81.8 0.04 OUTLIER Pre-proline 0 CA--C 1.539 0.528 0 C-N-CA 124.908 1.283 . . . . 10.0 110.718 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -72.52 -24.03 19.4 Favored 'Trans proline' 0 C--N 1.359 1.12 0 CA-C-N 122.47 1.918 . . . . 10.0 111.549 169.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -68.36 -3.99 13.0 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 125.601 1.56 . . . . 10.0 113.87 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -20.78 63.65 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.127 1.771 . . . . 10.0 112.274 168.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -59.27 160.26 6.74 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 122.511 1.148 . . . . 10.0 113.05 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -51.22 -2.44 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 128.928 2.891 . . . . 10.0 115.989 171.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLN . . . . . 0.423 ' NE2' HG23 ' B' ' 63' ' ' THR . 2.7 pp0? -60.41 -31.07 70.03 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 119.879 1.218 . . . . 10.0 113.012 169.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.438 ' HA ' HG21 ' B' ' 63' ' ' THR . 2.5 t -67.84 -52.61 38.06 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 C-N-CA 119.107 -1.037 . . . . 10.0 108.426 171.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.77 -43.49 72.84 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.2 1.4 . . . . 10.0 110.906 -175.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -59.35 -33.91 71.73 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.564 1.146 . . . . 10.0 113.351 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 7.6 mt -91.0 -36.77 8.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 119.032 0.833 . . . . 10.0 111.545 175.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.2 mt -46.3 -45.45 17.41 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 127.502 2.321 . . . . 10.0 112.864 174.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -59.86 -14.51 15.52 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.838 1.421 . . . . 10.0 114.838 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 90.0 p -73.62 -56.17 5.35 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.737 1.384 . . . . 10.0 114.737 -172.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -89.47 105.04 9.34 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 119.414 1.006 . . . . 10.0 108.916 170.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -60.98 -31.91 91.85 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 122.847 2.365 . . . . 10.0 111.949 -174.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -72.99 -41.55 64.19 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.99 0.916 . . . . 10.0 110.521 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.17 -41.49 92.97 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.408 1.004 . . . . 10.0 110.383 169.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -50.48 73.47 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 175.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.89 99.7 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 112.335 0.494 . . . . 10.0 112.335 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.7 76.85 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.84 1.256 . . . . 10.0 110.993 175.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.603 ' CE1' HD22 ' A' ' 17' ' ' LEU . 75.8 t80 -49.2 -60.33 2.9 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.587 1.555 . . . . 10.0 109.267 170.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 85.9 mt -50.95 -55.05 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 119.555 1.071 . . . . 10.0 111.555 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.405 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.0 OUTLIER -56.3 -57.6 11.56 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.844 0.858 . . . . 10.0 111.724 -179.203 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -67.17 -39.95 86.55 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.634 1.573 . . . . 10.0 112.408 -175.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -61.5 -44.48 96.99 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 119.911 1.232 . . . . 10.0 110.958 172.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 3.1 m -59.51 -49.93 75.88 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 118.923 -0.56 . . . . 10.0 110.099 176.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.43 -45.89 69.6 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 118.412 -0.804 . . . . 10.0 111.663 170.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' LYS . . . . . 0.586 ' HE3' ' HB2' ' A' ' 18' ' ' SER . 5.9 tppt? -50.22 -19.79 0.88 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.145 1.778 . . . . 10.0 115.03 177.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 98' ' ' TYR . . . . . 0.591 ' HB2' HG21 ' A' ' 38' ' ' VAL . 20.3 m-85 -103.83 -14.35 16.07 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 116.031 1.863 . . . . 10.0 116.031 175.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . 0.488 14.1 m -60.63 -49.97 82.31 Favored 'Isoleucine or valine' 0 C--N 1.344 0.351 0 CA-C-N 120.513 1.506 . . . . 10.0 113.242 -170.503 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.79 ' HB3' ' HA ' ' B' ' 103' ' ' PRO . . . -90.98 29.76 1.32 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 119.732 -0.787 . . . . 10.0 111.587 167.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 2.5 t30 69.8 -37.41 0.38 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 129.169 2.988 . . . . 10.0 110.266 -167.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' GLN . . . . . 0.401 ' H ' ' C ' ' B' ' 100' ' ' ALA . 16.0 mp0 -149.27 102.07 3.33 Favored Pre-proline 0 CA--C 1.547 0.846 1 C-N-CA 135.277 5.431 . . . . 10.0 100.992 167.469 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 103' ' ' PRO . . . . . 0.79 ' HA ' ' HB3' ' B' ' 100' ' ' ALA . 89.8 Cg_endo -55.93 -10.16 3.85 Favored 'Trans proline' 0 CA--C 1.544 0.999 1 C-N-CA 127.915 5.743 . . . . 10.0 116.126 -166.46 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 71.81 -52.38 1.26 Allowed Glycine 0 CA--C 1.533 1.21 0 C-N-CA 126.611 2.053 . . . . 10.0 114.003 -170.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 19.9 ptp -80.88 -4.51 55.07 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.079 1.752 . . . . 10.0 115.719 -175.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 C--O 1.254 1.315 0 C-N-CA 126.408 1.883 . . . . 10.0 111.609 -175.584 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 109.915 -0.402 . . . . 10.0 109.915 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.08 35.49 2.29 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 127.629 2.538 . . . . 10.0 109.242 170.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 54.4 -6.59 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 129.91 3.284 . . . . 10.0 116.723 -175.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 m -131.42 -29.3 1.79 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 128.729 2.811 . . . . 10.0 112.757 -168.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -57.53 -28.6 63.64 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.209 1.404 . . . . 10.0 111.762 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -39.58 -44.83 1.51 Allowed 'General case' 0 CA--C 1.513 -0.46 0 C-N-CA 127.277 2.231 . . . . 10.0 112.088 170.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.526 ' HE ' ' CG ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -59.52 -51.98 67.53 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 120.584 1.538 . . . . 10.0 112.394 -177.084 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.44 -39.86 92.58 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.661 -0.685 . . . . 10.0 112.452 176.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.426 HD22 HD13 ' B' ' 57' ' ' LEU . 77.4 mt -63.25 -52.82 60.59 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 118.519 0.6 . . . . 10.0 110.657 176.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.49 HD23 HH22 ' A' ' 7' ' ' ARG . 45.3 tp -60.17 -45.64 92.4 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 125.148 1.379 . . . . 10.0 110.28 178.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.526 ' CG ' ' HE ' ' A' ' 7' ' ' ARG . 81.5 m-20 -59.01 -51.44 70.06 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.492 0.587 . . . . 10.0 112.206 177.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.412 HE21 ' C ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -70.08 -24.47 63.23 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 118.042 -0.98 . . . . 10.0 113.247 178.715 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.87 -47.52 25.14 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 120.167 1.348 . . . . 10.0 111.211 172.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -65.86 -30.16 70.73 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 120.681 1.582 . . . . 10.0 111.095 176.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.6 m -59.83 -55.43 34.28 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.8 0.84 . . . . 10.0 109.209 169.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tp -50.88 -55.74 15.58 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.736 0.814 . . . . 10.0 112.236 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.639 HD13 HD22 ' B' ' 64' ' ' LEU . 2.6 mm? -65.97 -17.67 64.83 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.607 1.336 . . . . 10.0 114.607 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 p -125.07 11.21 8.22 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 115.004 1.483 . . . . 10.0 115.004 -172.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -47.04 -5.62 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.873 1 C-N-CA 132.596 4.359 . . . . 10.0 118.585 -172.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.1 p 112.08 -18.96 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.08 1 C-N-CA 134.462 5.105 . . . . 10.0 112.03 -171.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -67.19 156.28 36.67 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 121.544 1.975 . . . . 10.0 113.918 174.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.67 -1.16 0.8 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.084 2.154 . . . . 10.0 113.679 169.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 m -47.37 -42.81 22.5 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 116.79 2.144 . . . . 10.0 116.79 -167.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.27 -15.37 3.41 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 124.273 0.94 . . . . 10.0 113.69 168.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.709 HD11 HD21 ' B' ' 64' ' ' LEU . 4.9 mt -59.88 -24.79 64.55 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 123.702 0.801 . . . . 10.0 111.033 169.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -44.02 -43.52 6.77 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.076 1.751 . . . . 10.0 114.428 170.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -66.8 -49.06 67.03 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.944 0.898 . . . . 10.0 112.025 174.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 mm -61.92 -38.47 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 124.265 1.026 . . . . 10.0 109.77 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -62.4 -53.64 52.04 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 125.253 1.421 . . . . 10.0 109.931 175.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.9 ptt-85 -67.14 -35.01 78.8 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.191 0.905 . . . . 10.0 112.778 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.82 -20.18 61.14 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.311 1.044 . . . . 10.0 113.392 172.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.8 mt -112.47 16.4 19.86 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.761 1.624 . . . . 10.0 111.724 174.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.78 11.41 49.72 Favored Glycine 0 C--N 1.343 0.971 0 C-N-CA 125.363 1.459 . . . . 10.0 115.3 175.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.264 20.1 mt -55.08 -43.0 98.83 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-N 118.856 1.328 . . . . 10.0 113.406 -170.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -55.99 -34.29 91.81 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.849 2.366 . . . . 10.0 115.081 169.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.63 -46.47 63.26 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 120.914 -1.116 . . . . 10.0 110.33 169.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.8 mt -52.45 -38.25 58.84 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.35 0.977 . . . . 10.0 111.946 174.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.08 -59.49 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.718 1.207 . . . . 10.0 110.991 169.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -51.0 -41.93 60.07 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.946 1.298 . . . . 10.0 113.415 178.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -68.86 -20.03 64.27 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 128.848 2.859 . . . . 10.0 113.307 175.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.48 4.45 68.08 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.643 1.592 . . . . 10.0 114.876 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -62.78 -12.87 27.09 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.382 1.873 . . . . 10.0 113.643 -172.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.03 -31.82 31.54 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.149 -0.969 . . . . 10.0 112.012 169.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.4 mt -81.66 -15.03 55.83 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 114.487 1.291 . . . . 10.0 114.487 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -80.8 160.07 67.42 Favored Pre-proline 0 N--CA 1.472 0.65 0 CA-C-N 119.564 1.074 . . . . 10.0 112.103 176.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.59 -8.75 24.09 Favored 'Trans proline' 0 CA--C 1.548 1.179 0 C-N-CA 123.184 2.589 . . . . 10.0 114.312 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.203 0 C-N-CA 126.956 2.102 . . . . 10.0 108.046 170.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' B' ' 51' ' ' SER . 14.6 Cg_endo . . . . . 0 N--CA 1.48 0.703 0 N-CA-C 109.473 -1.011 . . . . 10.0 109.473 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -132.89 -24.95 1.88 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.635 0.976 . . . . 10.0 113.635 -168.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -118.6 -54.82 2.24 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 127.946 2.498 . . . . 10.0 106.631 168.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.457 ' O ' ' HA ' ' B' ' 48' ' ' PRO . 16.8 m -90.88 102.75 15.51 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 105.179 -2.156 . . . . 10.0 105.179 168.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.478 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.2 OUTLIER -89.58 -15.06 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 109.142 -0.688 . . . . 10.0 109.142 -170.417 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 34.1 p -94.0 5.75 0.06 OUTLIER Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 119.85 3.278 . . . . 10.0 119.85 -175.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -64.18 -20.16 66.82 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 CA-C-N 126.248 3.267 . . . . 10.0 113.011 173.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 16.2 p -81.41 -50.93 8.87 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.085 1.754 . . . . 10.0 111.744 169.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.8 -26.86 67.6 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.867 0.867 . . . . 10.0 112.9 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.426 HD13 HD22 ' A' ' 9' ' ' LEU . 27.1 tp -60.13 -24.33 64.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 127.127 2.171 . . . . 10.0 111.288 169.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -90.97 -60.01 2.02 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 169.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.62 -40.05 17.93 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 118.8 2.889 . . . . 10.0 118.8 -167.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 14.5 tp -77.78 -35.65 51.31 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.088 1.313 . . . . 10.0 109.512 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.72 -52.35 63.59 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.061 1.344 . . . . 10.0 110.705 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 39.5 ptt85 -60.13 -35.74 75.94 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 121.318 1.872 . . . . 10.0 112.297 172.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 5.2 m -62.65 -25.38 68.1 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.855 1.662 . . . . 10.0 113.911 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.709 HD21 HD11 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -114.64 -13.82 12.09 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 114.406 1.261 . . . . 10.0 114.406 170.851 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -61.86 -37.39 84.33 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 106.363 -1.718 . . . . 10.0 106.363 167.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 8.9 p -75.61 110.49 10.77 Favored Pre-proline 0 CA--C 1.548 0.866 0 N-CA-C 103.077 -2.934 . . . . 10.0 103.077 166.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.18 155.08 41.84 Favored 'Trans proline' 0 C--N 1.353 0.815 0 N-CA-C 117.459 2.061 . . . . 10.0 117.459 -168.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 45.3 p -60.11 -24.57 64.76 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 114.173 -1.376 . . . . 10.0 113.763 -169.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 29.2 t -49.26 -65.8 0.74 Allowed Pre-proline 0 CA--C 1.55 0.96 0 CA-C-O 117.24 -1.362 . . . . 10.0 113.327 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.83 -23.74 25.57 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 CA-C-N 122.327 1.867 . . . . 10.0 112.972 169.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -89.8 17.28 6.8 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.938 1.695 . . . . 10.0 113.722 -171.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.33 13.95 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.947 2.099 . . . . 10.0 115.301 -175.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -117.28 176.3 5.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 116.563 2.061 . . . . 10.0 116.563 -169.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -49.73 -11.95 0.06 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.203 2.201 . . . . 10.0 115.947 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -66.48 -25.79 66.88 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-N 121.529 1.968 . . . . 10.0 113.61 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.49 -51.94 37.23 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 N-CA-C 107.774 -1.195 . . . . 10.0 107.774 169.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.05 -36.63 82.21 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.186 1.395 . . . . 10.0 111.369 -172.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -64.62 -30.61 71.63 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.014 1.725 . . . . 10.0 113.352 176.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.6 mt -89.78 -43.85 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.817 0.735 . . . . 10.0 109.914 174.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 mt -40.28 -55.69 2.13 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 127.331 2.252 . . . . 10.0 111.469 173.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -57.05 -23.22 44.95 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 114.648 1.351 . . . . 10.0 114.648 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 60.5 p -79.26 -7.38 58.23 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.985 0.914 . . . . 10.0 113.466 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -132.13 85.72 49.0 Favored Pre-proline 0 CA--C 1.535 0.39 0 O-C-N 120.75 -1.219 . . . . 10.0 108.901 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -51.12 -45.62 35.72 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 124.021 3.147 . . . . 10.0 114.833 -170.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -62.02 -44.58 96.4 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 112.918 0.711 . . . . 10.0 112.918 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.76 -40.77 98.3 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 125.332 1.453 . . . . 10.0 110.367 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -52.93 63.57 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.127 0.971 . . . . 10.0 113.359 171.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.34 -43.73 98.14 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.536 0.607 . . . . 10.0 112.203 176.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.58 92.96 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.933 0.893 . . . . 10.0 112.703 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -56.59 -60.22 3.86 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 124.44 1.096 . . . . 10.0 109.237 169.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 63.2 mt -51.17 -53.56 14.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 118.615 0.643 . . . . 10.0 110.838 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.461 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.0 OUTLIER -58.15 -60.16 4.19 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 123.47 0.708 . . . . 10.0 112.345 -179.861 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -32.95 70.67 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 117.01 -1.472 . . . . 10.0 111.737 -174.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -57.3 -48.91 77.73 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 121.542 1.974 . . . . 10.0 110.85 169.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.6 m -61.18 -44.2 97.67 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.422 0.689 . . . . 10.0 110.581 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.96 -44.56 97.14 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.598 0.759 . . . . 10.0 112.948 172.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.54 -48.26 48.51 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.826 2.051 . . . . 10.0 109.89 173.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -59.12 -61.14 2.86 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-O 118.694 -0.67 . . . . 10.0 112.137 175.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 29.3 m -60.79 -24.4 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 113.779 1.029 . . . . 10.0 113.779 -174.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.97 -20.33 23.43 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 116.255 1.946 . . . . 10.0 116.255 176.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -142.39 -21.69 0.68 Allowed 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 120.742 1.61 . . . . 10.0 114.19 -170.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -142.43 70.68 21.52 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 126.875 2.07 . . . . 10.0 109.435 170.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -73.52 -10.14 23.47 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.005 1.803 . . . . 10.0 112.46 -172.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.45 42.65 0.85 Allowed Glycine 0 CA--C 1.538 1.517 0 C-N-CA 125.628 1.585 . . . . 10.0 112.856 169.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 33.28 -19.51 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.593 1 C-N-CA 135.039 5.335 . . . . 10.0 121.657 -169.76 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 . . . . . 0 C--O 1.253 1.242 0 CA-C-O 115.406 -2.235 . . . . 10.0 112.348 -179.681 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 118.081 -0.961 . . . . 10.0 113.118 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.36 4.34 68.4 Favored Glycine 0 CA--C 1.543 1.819 0 CA-C-N 121.118 1.781 . . . . 10.0 113.932 174.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 61.43 -30.3 0.07 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 130.175 3.39 . . . . 10.0 114.445 -170.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t -65.9 -8.0 19.75 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.975 1.31 . . . . 10.0 112.649 169.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -94.81 -60.34 1.72 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.731 2.012 . . . . 10.0 109.397 169.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -40.8 -48.08 2.99 Favored 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 128.979 2.912 . . . . 10.0 111.988 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -64.79 -39.68 94.0 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 119.659 1.118 . . . . 10.0 111.722 -173.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.01 -42.95 75.73 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.721 0.809 . . . . 10.0 111.207 174.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.421 HD22 HD13 ' B' ' 57' ' ' LEU . 65.3 mt -62.31 -43.08 99.65 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.093 0.957 . . . . 10.0 111.784 176.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 tp -58.88 -50.11 75.23 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 128.413 2.685 . . . . 10.0 111.019 171.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -59.22 -51.83 68.3 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 177.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -65.43 -26.89 68.17 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 177.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 mt -75.56 -47.55 26.26 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 119.56 1.073 . . . . 10.0 113.751 172.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -66.36 -27.51 67.94 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 120.709 1.595 . . . . 10.0 111.226 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.4 m -71.14 -43.62 67.2 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 117.149 -1.405 . . . . 10.0 111.693 169.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' B' ' 61' ' ' LEU . 6.1 tp -50.97 -53.71 30.69 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 121.267 1.849 . . . . 10.0 110.331 169.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.675 HD13 HD22 ' B' ' 64' ' ' LEU . 2.4 mm? -64.36 -15.49 60.51 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.248 1.203 . . . . 10.0 114.248 178.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.1 t -123.58 16.52 9.59 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 120.068 -1.645 . . . . 10.0 113.488 -173.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -52.08 -0.67 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 130.627 3.571 . . . . 10.0 117.518 -172.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.6 p 115.68 -16.73 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.104 1 C-N-CA 135.571 5.549 . . . . 10.0 112.241 178.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.86 159.72 33.29 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-O 123.7 1.714 . . . . 10.0 114.567 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -143.49 -4.86 0.86 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 127.933 2.493 . . . . 10.0 112.987 169.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.7 m -50.05 -47.77 53.28 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 127.733 2.413 . . . . 10.0 115.652 -168.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.31 -12.23 7.63 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 123.747 0.689 . . . . 10.0 113.344 169.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.437 HD11 HD21 ' B' ' 64' ' ' LEU . 4.2 mt -62.58 -22.97 66.76 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 118.251 -0.881 . . . . 10.0 112.144 169.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.06 -40.86 7.11 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.616 1.566 . . . . 10.0 114.347 169.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -59.06 -54.13 50.54 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 119.429 1.013 . . . . 10.0 112.053 170.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.0 mm -69.27 -31.88 51.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.459 0.704 . . . . 10.0 109.269 -170.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -65.18 -53.25 47.64 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.765 1.626 . . . . 10.0 110.346 171.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -64.88 -38.49 91.16 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.929 1.24 . . . . 10.0 112.192 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.41 -19.94 57.91 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.422 1.089 . . . . 10.0 113.902 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.1 mt -118.21 17.83 13.88 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.489 1.516 . . . . 10.0 111.309 176.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.91 6.48 24.81 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 126.164 1.84 . . . . 10.0 115.627 174.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.269 18.0 mt -46.6 -46.48 48.93 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 126.345 1.858 . . . . 10.0 113.99 -169.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -55.54 -28.12 63.18 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.182 2.588 . . . . 10.0 115.681 176.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -73.33 -41.15 63.83 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.683 1.583 . . . . 10.0 110.579 171.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.8 mt -57.38 -24.02 52.77 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.134 1.374 . . . . 10.0 112.885 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.3 t -64.02 -58.9 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 126.269 1.828 . . . . 10.0 110.453 170.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -61.49 -32.88 72.91 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.79 0.836 . . . . 10.0 111.862 176.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -64.69 -19.88 65.99 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.254 1.422 . . . . 10.0 113.498 171.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.78 14.01 81.81 Favored Glycine 0 C--N 1.349 1.297 0 O-C-N 120.85 -1.156 . . . . 10.0 113.944 -174.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -60.09 -20.62 59.09 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.639 1.575 . . . . 10.0 113.952 -171.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.1 -28.0 56.02 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.319 1.048 . . . . 10.0 113.731 169.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.9 mt -97.11 -12.87 22.62 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.89 1.07 . . . . 10.0 113.89 -171.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -70.52 143.89 90.79 Favored Pre-proline 0 CA--C 1.546 0.796 0 CA-C-N 119.62 1.1 . . . . 10.0 111.526 173.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -74.83 -0.75 10.28 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.787 2.991 . . . . 10.0 113.891 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.885 0 C-N-CA 127.46 2.304 . . . . 10.0 109.041 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo . . . . . 0 CA--C 1.539 0.74 0 N-CA-C 110.445 -0.637 . . . . 10.0 110.445 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -134.33 -59.73 0.82 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.672 0.789 . . . . 10.0 112.093 -168.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -81.72 -62.6 1.6 Allowed 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 104.768 -2.308 . . . . 10.0 104.768 168.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 53.5 p -70.17 114.1 7.99 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 108.047 -1.094 . . . . 10.0 108.047 168.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.64 -18.27 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 123.649 0.78 . . . . 10.0 110.537 -177.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 57.5 p -98.01 5.85 0.07 OUTLIER Pre-proline 0 C--O 1.221 -0.396 0 N-CA-C 119.135 3.013 . . . . 10.0 119.135 -175.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -66.33 -19.82 55.57 Favored 'Trans proline' 0 CA--C 1.547 1.169 0 CA-C-N 125.701 3.072 . . . . 10.0 112.722 175.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 16.1 p -80.66 -51.48 8.65 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 125.411 1.484 . . . . 10.0 110.583 169.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.0 -29.47 70.29 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.599 1.16 . . . . 10.0 112.564 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.421 HD13 HD22 ' A' ' 9' ' ' LEU . 15.9 tp -57.2 -28.83 63.2 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 127.653 2.381 . . . . 10.0 111.697 170.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -90.74 -60.48 1.91 Allowed 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.188 -0.671 . . . . 10.0 109.188 168.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.6 -37.55 27.44 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 119.329 3.085 . . . . 10.0 119.329 -167.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 tp -79.85 -38.68 32.26 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 120.151 1.341 . . . . 10.0 109.367 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.409 ' HA ' HD22 ' A' ' 16' ' ' LEU . 14.7 tp -55.82 -51.91 65.85 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 125.885 1.674 . . . . 10.0 109.742 170.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -52.74 -53.65 44.94 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 125.071 1.349 . . . . 10.0 111.173 168.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 9.0 m -54.82 -33.46 61.64 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.703 1.601 . . . . 10.0 114.491 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.675 HD22 HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -104.06 -14.51 15.89 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.935 1.087 . . . . 10.0 113.935 172.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -37.92 78.07 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-O 118.234 -0.889 . . . . 10.0 108.628 168.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 25.3 p -76.77 113.47 30.06 Favored Pre-proline 0 CA--C 1.544 0.743 0 N-CA-C 103.694 -2.706 . . . . 10.0 103.694 166.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -62.01 159.01 35.93 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 N-CA-C 118.217 2.353 . . . . 10.0 118.217 -168.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 79.3 p -56.61 -32.91 65.74 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 126.957 2.103 . . . . 10.0 113.614 -169.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.7 t -46.87 -67.34 0.4 Allowed Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 125.206 1.402 . . . . 10.0 113.811 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -68.87 -23.44 35.04 Favored 'Trans proline' 0 C--N 1.358 1.037 0 CA-C-N 121.716 1.648 . . . . 10.0 113.093 170.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -88.41 11.81 15.93 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.566 1.546 . . . . 10.0 115.018 -173.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -71.63 46.36 0.12 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.55 1.94 . . . . 10.0 114.54 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -142.56 179.17 7.13 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 123.361 1.553 . . . . 10.0 113.146 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -62.85 -5.6 2.99 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.68 1.592 . . . . 10.0 115.272 -169.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -67.55 -23.27 65.41 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 121.306 1.866 . . . . 10.0 112.85 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -72.39 -52.31 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 107.55 -1.278 . . . . 10.0 107.55 169.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.414 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 0.5 OUTLIER -59.32 -37.92 79.01 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.466 1.106 . . . . 10.0 111.234 -174.261 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -62.43 -30.2 71.05 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.323 1.449 . . . . 10.0 113.861 175.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.2 mt -90.26 -43.6 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 118.935 0.789 . . . . 10.0 109.829 174.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.414 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 10.6 mt -40.82 -60.05 1.27 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.791 2.036 . . . . 10.0 111.248 172.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -14.07 61.07 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 114.449 1.277 . . . . 10.0 114.449 -173.11 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 48.0 p -77.19 -7.68 56.26 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.767 1.025 . . . . 10.0 113.767 173.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -131.21 84.44 57.01 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 125.013 1.325 . . . . 10.0 108.099 -175.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -49.36 -48.27 19.32 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 124.65 3.566 . . . . 10.0 115.066 -169.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -63.67 -46.13 86.96 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.519 1.528 . . . . 10.0 112.14 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.11 -42.41 94.65 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.473 0.709 . . . . 10.0 109.948 174.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 4.4 ttt -63.1 -47.59 82.16 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.514 0.726 . . . . 10.0 112.119 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.2 95.86 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.467 0.576 . . . . 10.0 112.103 174.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.21 -45.05 92.13 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 118.667 -0.682 . . . . 10.0 111.655 174.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -52.6 -58.59 6.3 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.9 1.68 . . . . 10.0 108.573 171.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 88.8 mt -52.88 -53.03 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 119.055 0.843 . . . . 10.0 110.458 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -60.07 -59.13 5.91 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.856 0.863 . . . . 10.0 112.2 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -70.42 -34.49 72.57 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.956 1.302 . . . . 10.0 112.382 -173.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -59.3 -43.66 92.6 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 121.262 1.846 . . . . 10.0 109.706 169.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.0 m -60.75 -43.0 98.52 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-O 119.149 -0.453 . . . . 10.0 111.984 172.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.9 -50.48 72.39 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.603 1.161 . . . . 10.0 112.468 173.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -49.22 -47.09 46.55 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.206 1.803 . . . . 10.0 110.896 170.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -65.6 -55.99 14.66 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.927 1.084 . . . . 10.0 113.927 175.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.71 -20.54 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-N 120.63 1.559 . . . . 10.0 113.936 -173.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.33 -6.15 59.26 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.87 1.433 . . . . 10.0 114.87 171.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.39 -38.1 2.59 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.448 1.899 . . . . 10.0 111.562 -170.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -142.25 86.53 10.06 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 129.912 3.285 . . . . 10.0 106.584 170.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -58.07 162.48 11.4 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.238 2.625 . . . . 10.0 114.244 -174.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.09 52.66 1.37 Allowed Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.306 1.432 . . . . 10.0 112.481 171.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 15.6 ptt? -86.05 1.65 49.51 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 127.415 2.286 . . . . 10.0 114.231 -172.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.137 0 C-N-CA 127.083 2.153 . . . . 10.0 108.131 175.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 120.763 0.316 . . . . 10.0 110.793 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -134.35 -12.94 1.36 Allowed Glycine 0 N--CA 1.471 1.019 0 CA-C-O 118.234 -1.314 . . . . 10.0 115.865 176.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 75.7 -36.31 0.29 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 129.026 2.93 . . . . 10.0 111.122 -170.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.9 m -61.76 -7.17 3.23 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.959 1.304 . . . . 10.0 113.293 169.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -104.54 -10.56 17.53 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 127.892 2.477 . . . . 10.0 110.315 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 1.4 mm-40 -64.14 -52.33 59.61 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 117.866 -1.064 . . . . 10.0 111.327 178.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -40.79 -45.14 2.39 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 115.882 1.808 . . . . 10.0 115.882 -168.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.11 -45.29 74.09 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 120.579 1.536 . . . . 10.0 114.204 174.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 6' ' ' GLU 0.292 0.0 OUTLIER -76.84 -31.02 56.59 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.867 1.212 . . . . 10.0 111.645 178.72 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.81 -47.39 83.66 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 127.876 2.47 . . . . 10.0 109.819 169.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -58.03 -52.8 64.01 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-O 117.752 -1.118 . . . . 10.0 112.742 169.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -26.85 67.34 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 120.424 1.465 . . . . 10.0 112.954 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.42 -45.78 36.82 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 119.878 1.217 . . . . 10.0 111.483 172.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . 0.263 4.1 p80 -68.72 -28.69 67.05 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 121.057 1.753 . . . . 10.0 111.335 177.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 m -64.88 -43.4 93.03 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.931 0.892 . . . . 10.0 110.915 169.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.433 HD22 HD12 ' B' ' 61' ' ' LEU . 6.6 tp -58.01 -54.27 48.87 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 119.884 1.22 . . . . 10.0 110.706 171.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.705 HD13 HD22 ' B' ' 64' ' ' LEU . 1.9 mm? -62.73 -19.49 63.98 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.949 1.25 . . . . 10.0 113.159 178.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.9 t -119.08 20.97 12.55 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.896 1.279 . . . . 10.0 114.314 -176.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -54.89 -15.29 1.86 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 127.237 2.215 . . . . 10.0 113.855 -175.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.307 49.4 p 121.25 -10.15 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.807 1 C-N-CA 135.169 5.387 . . . . 10.0 111.257 169.498 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -59.45 152.32 21.9 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 123.883 1.802 . . . . 10.0 112.047 170.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.15 -6.61 1.6 Allowed 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 127.192 2.197 . . . . 10.0 112.632 171.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.2 m -43.41 -57.5 3.03 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 126.666 1.986 . . . . 10.0 116.25 -168.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.31 -2.71 21.46 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 124.677 1.132 . . . . 10.0 111.881 168.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.406 HD11 HD21 ' B' ' 64' ' ' LEU . 1.1 mt -68.75 -28.32 66.69 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-O 118.039 -0.982 . . . . 10.0 111.612 169.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -55.1 -36.09 65.31 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.749 1.62 . . . . 10.0 112.589 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -65.42 -50.73 64.35 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.715 2.006 . . . . 10.0 113.082 169.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.427 HD11 HG21 ' B' ' 76' ' ' VAL . 8.8 mt -59.9 -40.71 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.684 0.794 . . . . 10.0 110.429 175.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.408 ' HA ' HD12 ' A' ' 34' ' ' ILE . 78.3 m-20 -60.1 -52.17 66.47 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.615 1.566 . . . . 10.0 110.83 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.7 ptt-85 -63.9 -38.81 92.45 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 118.17 -0.919 . . . . 10.0 112.673 173.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.63 -19.9 59.31 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.7 1.0 . . . . 10.0 113.7 174.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.2 mt -116.65 22.74 12.5 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.634 1.574 . . . . 10.0 112.567 169.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 67.36 5.07 33.65 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 125.496 1.522 . . . . 10.0 116.321 169.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 29' ' ' ASP . 5.8 mt -52.33 -47.11 93.89 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-N 119.652 1.726 . . . . 10.0 114.006 -171.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.42 -31.54 92.73 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 122.508 2.139 . . . . 10.0 113.273 174.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -73.83 -36.72 64.95 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.109 -0.995 . . . . 10.0 111.405 171.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.85 -32.61 69.59 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.741 1.155 . . . . 10.0 112.007 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.9 t -65.65 -48.2 83.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 123.86 0.864 . . . . 10.0 110.444 169.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -58.88 -45.54 89.96 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.946 1.248 . . . . 10.0 111.807 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -61.2 -19.65 61.86 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.985 2.114 . . . . 10.0 113.779 170.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.82 15.79 60.81 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.78 1.181 . . . . 10.0 113.949 173.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -79.82 48.82 0.99 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 126.277 1.831 . . . . 10.0 111.123 -170.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.86 -71.42 0.07 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.791 2.836 . . . . 10.0 117.898 -169.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.2 mt -128.47 -12.17 5.01 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.447 1.277 . . . . 10.0 114.447 -168.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.491 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 2.3 mp0 -62.06 158.96 41.27 Favored Pre-proline 0 CA--C 1.549 0.939 0 CA-C-O 117.632 -1.175 . . . . 10.0 110.628 178.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -53.07 2.33 0.04 OUTLIER 'Trans proline' 0 CA--C 1.542 0.904 1 C-N-CA 125.816 4.344 . . . . 10.0 120.229 -174.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.356 0 C-N-CA 127.5 2.32 . . . . 10.0 109.483 169.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.439 ' HA ' ' O ' ' B' ' 51' ' ' SER . 31.6 Cg_exo . . . . . 0 CA--C 1.54 0.805 0 N-CA-C 110.621 -0.569 . . . . 10.0 110.621 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -118.42 -7.36 10.67 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 114.603 -1.18 . . . . 10.0 113.361 -168.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -125.63 -55.86 1.51 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 127.484 2.313 . . . . 10.0 106.529 169.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' B' ' 48' ' ' PRO . 2.1 m -83.95 113.17 20.79 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 104.198 -2.519 . . . . 10.0 104.198 167.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.587 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.3 OUTLIER -90.47 -23.85 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 119.4 1.0 . . . . 10.0 111.044 -170.016 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 53' ' ' SER . . . . . 0.426 ' HB3' HD22 ' B' ' 83' ' ' ASN . 13.7 p -100.14 9.04 0.06 OUTLIER Pre-proline 0 CA--C 1.544 0.738 0 N-CA-C 119.491 3.145 . . . . 10.0 119.491 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -63.69 -19.12 66.76 Favored 'Trans proline' 0 C--N 1.353 0.816 0 CA-C-N 125.647 3.052 . . . . 10.0 113.591 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 p -83.31 -48.89 9.93 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.801 1.641 . . . . 10.0 112.119 170.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.24 -31.9 61.88 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.831 1.652 . . . . 10.0 112.565 169.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 39.4 tp -55.73 -25.89 42.66 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.262 1.825 . . . . 10.0 112.033 169.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -90.97 -60.37 1.93 Allowed 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 109.052 -0.722 . . . . 10.0 109.052 169.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.66 -48.32 19.39 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 115.644 1.72 . . . . 10.0 115.644 -168.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 16.6 tp -67.78 -39.8 84.05 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.832 1.196 . . . . 10.0 110.125 177.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.433 HD12 HD22 ' A' ' 16' ' ' LEU . 21.6 tp -55.78 -54.14 48.05 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.432 1.093 . . . . 10.0 110.087 174.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -51.31 -48.15 62.41 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.122 1.769 . . . . 10.0 112.177 170.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' THR . . . . . 0.432 HG21 ' HA ' ' B' ' 76' ' ' VAL . 1.0 OUTLIER -62.56 -19.65 63.9 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 127.364 2.265 . . . . 10.0 115.5 -175.719 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.705 HD22 HD13 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -116.1 -18.58 10.58 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 168.831 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -57.17 -41.2 78.79 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 107.067 -1.457 . . . . 10.0 107.067 168.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 8.5 p -74.69 109.79 8.14 Favored Pre-proline 0 CA--C 1.548 0.874 0 N-CA-C 103.495 -2.78 . . . . 10.0 103.495 167.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -59.84 148.01 90.12 Favored 'Trans proline' 0 C--N 1.353 0.805 0 N-CA-C 117.278 1.991 . . . . 10.0 117.278 -167.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.4 p -51.97 -28.13 15.72 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 127.403 2.281 . . . . 10.0 115.573 -169.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 29.9 t -42.06 -65.37 0.52 Allowed Pre-proline 0 CA--C 1.545 0.756 0 C-N-CA 126.613 1.965 . . . . 10.0 113.486 -173.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -84.09 -25.98 2.05 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.179 1.92 . . . . 10.0 111.794 169.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -74.13 35.72 0.09 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.829 2.452 . . . . 10.0 114.638 -171.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -66.87 -179.18 0.85 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 129.124 2.969 . . . . 10.0 115.042 -175.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 0.81 -96.46 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 130.774 3.629 . . . . 10.0 117.411 -176.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -39.58 -60.24 0.99 Allowed 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 126.651 1.98 . . . . 10.0 115.637 -168.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' GLN . . . . . 0.412 ' NE2' HG23 ' B' ' 63' ' ' THR . 2.9 pp0? -68.55 -32.38 72.28 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 121.088 1.767 . . . . 10.0 114.068 -173.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.432 ' HA ' HG21 ' B' ' 63' ' ' THR . 2.5 t -71.06 -51.6 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 118.405 -1.318 . . . . 10.0 108.117 171.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -53.31 -43.18 67.38 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.584 1.554 . . . . 10.0 110.964 -175.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -58.39 -40.06 81.33 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.563 1.545 . . . . 10.0 113.392 178.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 7.2 mt -90.48 -33.4 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-O 118.869 -0.586 . . . . 10.0 110.2 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mt -44.2 -56.04 4.39 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 128.079 2.552 . . . . 10.0 111.013 170.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -64.5 -15.3 60.6 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.032 1.123 . . . . 10.0 114.032 -175.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 76.6 p -71.03 -26.73 63.23 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.217 1.007 . . . . 10.0 113.619 -175.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ASN . . . . . 0.426 HD22 ' HB3' ' B' ' 53' ' ' SER . 43.4 t-20 -114.93 108.79 48.01 Favored Pre-proline 0 N--CA 1.449 -0.515 0 N-CA-C 107.75 -1.204 . . . . 10.0 107.75 169.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -62.49 -33.88 77.44 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 123.419 2.746 . . . . 10.0 111.712 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -65.41 -50.48 65.32 Favored 'General case' 0 C--N 1.346 0.446 0 C-N-CA 124.311 1.044 . . . . 10.0 110.195 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.22 -41.02 98.0 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-O 118.846 -0.597 . . . . 10.0 110.443 175.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 4.2 ttt -60.75 -46.7 89.44 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.917 1.235 . . . . 10.0 111.663 177.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.09 96.1 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.573 -0.705 . . . . 10.0 111.376 175.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.67 -41.27 94.73 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 118.204 -0.903 . . . . 10.0 111.946 175.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -55.17 -57.96 9.62 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 124.885 1.274 . . . . 10.0 110.176 170.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 96.8 mt -52.96 -52.66 26.9 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 118.297 0.499 . . . . 10.0 110.237 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.445 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.0 OUTLIER -59.56 -59.86 4.77 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.634 -0.666 . . . . 10.0 111.968 178.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -71.73 -32.04 67.33 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 117.026 -1.464 . . . . 10.0 112.181 -172.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -59.74 -42.15 92.51 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 122.51 2.414 . . . . 10.0 109.937 169.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.8 m -61.76 -46.93 87.46 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 119.293 -0.384 . . . . 10.0 111.162 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.52 -48.57 74.46 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.199 0.999 . . . . 10.0 112.642 171.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -46.46 62.98 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.308 1.843 . . . . 10.0 110.925 174.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -59.87 -59.51 5.31 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 119.093 0.86 . . . . 10.0 112.159 175.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.46 -22.99 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 119.263 0.938 . . . . 10.0 113.42 -176.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.85 -32.61 16.81 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.529 1.307 . . . . 10.0 114.529 177.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.28 -14.6 5.35 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.617 1.098 . . . . 10.0 113.947 -169.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -142.59 62.97 13.6 Favored Pre-proline 0 N--CA 1.475 0.822 0 CA-C-N 120.344 1.429 . . . . 10.0 111.086 170.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -72.06 27.2 0.26 Allowed 'Trans proline' 0 CA--C 1.55 1.304 0 C-N-CA 125.116 3.877 . . . . 10.0 114.861 -172.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 72.25 -50.99 1.34 Allowed Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.657 1.598 . . . . 10.0 111.789 -169.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 14.5 ptp -70.4 75.83 0.55 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.699 1.6 . . . . 10.0 110.674 169.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.242 0 C-N-CA 126.494 1.917 . . . . 10.0 111.444 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 . . . . . 0 N--CA 1.488 1.438 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.89 18.55 0.41 Allowed Glycine 0 N--CA 1.472 1.038 0 O-C-N 121.252 -0.905 . . . . 10.0 114.34 -175.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 58.69 -10.27 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 128.308 2.643 . . . . 10.0 115.658 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.5 m -94.03 -44.39 8.07 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 129.0 2.92 . . . . 10.0 109.292 -177.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -64.22 -44.12 92.87 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 128.581 2.752 . . . . 10.0 107.66 169.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.412 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 38.0 tp10 -51.23 -54.69 23.27 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 118.132 -0.937 . . . . 10.0 111.191 169.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.75 -45.53 93.96 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.88 1.218 . . . . 10.0 111.81 -173.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.44 -39.4 88.88 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 176.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.474 HD22 ' C ' ' A' ' 9' ' ' LEU 0.407 0.0 OUTLIER -77.55 -32.29 53.78 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.187 0.903 . . . . 10.0 112.391 -179.65 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.0 tp -57.42 -46.87 83.05 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 128.505 2.722 . . . . 10.0 109.411 169.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -56.9 -54.45 46.37 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 124.022 0.929 . . . . 10.0 113.43 173.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -65.62 -26.86 68.01 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.906 1.23 . . . . 10.0 112.864 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.9 tp -77.97 -40.15 40.26 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.462 1.028 . . . . 10.0 111.964 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -73.33 -28.98 62.36 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.6 1.091 . . . . 10.0 111.54 172.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.6 m -60.59 -54.71 42.12 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.718 0.807 . . . . 10.0 110.037 169.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.459 HD22 HD12 ' B' ' 61' ' ' LEU . 7.9 tp -48.19 -51.32 25.73 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.219 1.008 . . . . 10.0 111.34 173.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.443 HD22 ' CE1' ' B' ' 90' ' ' PHE . 7.0 mt -67.69 -17.97 64.76 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.893 1.442 . . . . 10.0 114.893 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 94.7 p -125.11 11.87 8.25 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 120.708 -1.245 . . . . 10.0 113.69 -170.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -49.26 -10.44 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 131.504 3.922 . . . . 10.0 117.888 -173.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.262 40.9 p 120.53 -18.21 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.935 1 C-N-CA 134.414 5.086 . . . . 10.0 113.34 -178.794 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -66.04 152.91 43.61 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 120.977 1.717 . . . . 10.0 112.745 175.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.64 -6.11 1.34 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.568 2.347 . . . . 10.0 113.263 169.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.7 m -52.29 -45.47 65.51 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.947 2.099 . . . . 10.0 115.623 -168.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.61 -19.05 5.07 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 123.71 0.671 . . . . 10.0 112.669 170.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mt -58.5 -26.9 63.95 Favored 'General case' 0 C--O 1.224 -0.269 0 O-C-N 121.414 -1.051 . . . . 10.0 112.657 170.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.81 -40.24 9.44 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.315 1.446 . . . . 10.0 114.184 171.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.63 -54.08 44.92 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.784 1.234 . . . . 10.0 112.659 173.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.418 ' CD1' HG21 ' B' ' 76' ' ' VAL . 5.9 mt -64.47 -35.43 74.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 124.101 0.96 . . . . 10.0 109.433 -177.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -64.03 -53.33 51.56 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 126.011 1.724 . . . . 10.0 110.126 175.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.7 ptt-85 -61.97 -38.18 87.57 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 119.597 1.089 . . . . 10.0 112.489 175.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.99 -19.87 63.27 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.514 1.126 . . . . 10.0 113.895 177.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.8 mt -111.91 14.86 20.94 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.039 1.335 . . . . 10.0 112.675 171.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.76 17.57 60.66 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.76 1.172 . . . . 10.0 114.585 177.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.417 HG23 HG23 ' B' ' 95' ' ' THR 0.307 19.9 mt -51.98 -50.73 76.72 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 119.048 1.424 . . . . 10.0 112.846 -170.445 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -54.74 -27.46 52.25 Favored 'Trans proline' 0 CA--C 1.552 1.421 0 C-N-CA 123.838 3.025 . . . . 10.0 116.47 170.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.09 -40.78 26.88 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.408 1.004 . . . . 10.0 110.568 172.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.6 mt -59.76 -32.95 71.05 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.297 -0.877 . . . . 10.0 112.818 170.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.2 t -60.38 -57.51 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 127.021 2.128 . . . . 10.0 110.705 169.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -53.3 -40.43 64.75 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.052 0.941 . . . . 10.0 111.519 170.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . 2.284 13.3 pt20 -56.62 -20.12 19.55 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 129.106 2.962 . . . . 10.0 115.171 172.247 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.78 4.09 84.82 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.583 1.087 . . . . 10.0 115.187 -172.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -76.27 77.48 3.05 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 118.897 1.349 . . . . 10.0 110.529 -175.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -139.43 3.03 2.09 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 116.703 2.112 . . . . 10.0 116.703 -169.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -141.99 -17.07 0.76 Allowed 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 116.262 1.949 . . . . 10.0 116.262 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -78.12 167.67 33.81 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 125.843 1.657 . . . . 10.0 111.008 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -58.49 -10.27 8.58 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.728 2.952 . . . . 10.0 117.615 170.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.256 1.407 0 C-N-CA 126.421 1.888 . . . . 10.0 109.11 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.482 ' HA ' ' O ' ' B' ' 51' ' ' SER . 13.9 Cg_exo . . . . . 0 N--CA 1.482 0.814 0 N-CA-C 112.863 0.293 . . . . 10.0 112.863 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -144.23 -58.65 0.38 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.033 1.333 . . . . 10.0 112.66 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -78.0 -28.04 49.13 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.152 0.581 . . . . 10.0 110.256 169.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.482 ' O ' ' HA ' ' B' ' 48' ' ' PRO . 4.8 m -118.15 109.09 15.98 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 106.636 -1.616 . . . . 10.0 106.636 169.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -90.02 -7.56 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 C-N-CA 125.235 1.414 . . . . 10.0 112.76 177.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 42.5 p -112.61 11.23 0.08 OUTLIER Pre-proline 0 CA--C 1.549 0.938 0 N-CA-C 117.941 2.571 . . . . 10.0 117.941 174.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -63.77 -18.95 66.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 CA-C-N 124.335 2.584 . . . . 10.0 114.16 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 31.6 p -84.88 -51.35 6.8 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.816 1.646 . . . . 10.0 112.004 169.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.92 -25.03 18.35 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.882 1.673 . . . . 10.0 112.747 172.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 58.7 tp -55.14 -32.94 62.48 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.87 2.068 . . . . 10.0 112.542 169.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -90.4 -56.0 3.38 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.728 -0.842 . . . . 10.0 108.728 168.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.56 -60.42 2.43 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 115.013 1.486 . . . . 10.0 115.013 -169.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 tp -69.46 -32.0 70.65 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.589 0.631 . . . . 10.0 110.121 -175.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.459 HD12 HD22 ' A' ' 16' ' ' LEU . 23.1 tp -58.59 -57.63 12.14 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 117.439 -1.267 . . . . 10.0 110.652 169.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 27.7 ptt-85 -61.65 -36.86 82.01 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 121.07 1.759 . . . . 10.0 112.647 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' THR . . . . . 0.425 HG21 ' HA ' ' B' ' 76' ' ' VAL . 1.0 OUTLIER -60.49 -20.44 60.06 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.219 2.208 . . . . 10.0 115.049 179.405 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.43 ' CD2' ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -119.57 -16.98 8.79 Favored 'General case' 0 C--N 1.345 0.405 0 N-CA-C 114.432 1.271 . . . . 10.0 114.432 171.597 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -31.09 72.15 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-O 118.054 -0.974 . . . . 10.0 109.306 167.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 5.4 p -77.61 130.88 72.5 Favored Pre-proline 0 CA--C 1.542 0.657 0 N-CA-C 104.042 -2.577 . . . . 10.0 104.042 167.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.31 152.66 61.32 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 N-CA-C 116.487 1.687 . . . . 10.0 116.487 -167.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 2.5 m -52.05 -21.8 3.5 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 128.656 2.782 . . . . 10.0 115.735 -170.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 29.7 t -47.82 -72.12 0.15 Allowed Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.498 1.519 . . . . 10.0 113.277 -176.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -78.87 -28.05 4.3 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 CA-C-N 121.802 1.679 . . . . 10.0 110.705 168.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -68.79 -7.06 30.63 Favored 'General case' 0 C--N 1.343 0.299 0 N-CA-C 115.054 1.501 . . . . 10.0 115.054 -171.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -22.75 3.91 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 127.103 2.161 . . . . 10.0 113.451 169.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -64.1 171.03 3.18 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 115.772 1.768 . . . . 10.0 115.772 -176.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -47.24 -24.2 0.68 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 127.906 2.482 . . . . 10.0 113.875 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -53.41 -37.6 62.68 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 117.522 -1.228 . . . . 10.0 114.165 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.425 ' HA ' HG21 ' B' ' 63' ' ' THR . 2.6 t -66.81 -52.31 46.24 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.563 0 CA-C-N 119.399 1.0 . . . . 10.0 108.83 175.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.414 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 1.2 tt -60.14 -37.62 80.63 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 124.309 1.006 . . . . 10.0 110.672 -173.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -62.88 -32.08 73.26 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.15 1.78 . . . . 10.0 113.618 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.0 mt -88.03 -44.47 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 CA-C-N 119.492 1.042 . . . . 10.0 109.401 173.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.414 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 7.8 mt -40.54 -60.3 1.15 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 127.515 2.326 . . . . 10.0 112.709 174.26 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -10.17 26.2 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.681 1.363 . . . . 10.0 114.681 -170.467 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 54.4 p -80.91 -19.45 44.28 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.212 1.405 . . . . 10.0 114.546 177.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -114.96 104.02 54.33 Favored Pre-proline 0 N--CA 1.468 0.473 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 169.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -58.35 -42.82 51.96 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 122.259 1.972 . . . . 10.0 112.509 -174.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -71.02 -42.05 70.06 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 117.698 -1.144 . . . . 10.0 111.867 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.38 -43.26 99.17 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.252 0.933 . . . . 10.0 109.387 170.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 6.0 ttt -60.58 -46.8 88.86 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.867 1.212 . . . . 10.0 112.555 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.01 99.47 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.809 -0.557 . . . . 10.0 112.054 172.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.56 -35.48 81.1 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.397 0.679 . . . . 10.0 112.764 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.443 ' CE1' HD22 ' A' ' 17' ' ' LEU . 50.0 t80 -60.05 -60.79 3.26 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 125.044 1.337 . . . . 10.0 108.844 170.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 82.0 mt -47.07 -55.04 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.491 1.116 . . . . 10.0 110.698 177.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -53.68 45.66 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 114.327 1.232 . . . . 10.0 114.327 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -32.48 73.38 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 119.951 1.25 . . . . 10.0 110.272 -177.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -64.3 -48.24 76.43 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 120.645 1.566 . . . . 10.0 111.104 171.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' THR . . . . . 0.417 HG23 HG23 ' A' ' 34' ' ' ILE . 75.1 p -60.5 -42.52 96.51 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.681 1.128 . . . . 10.0 111.289 175.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.14 -51.95 66.12 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.768 1.227 . . . . 10.0 112.027 171.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -46.36 -50.46 16.41 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.742 2.017 . . . . 10.0 110.84 170.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -62.59 -65.1 0.74 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.083 -0.96 . . . . 10.0 111.146 174.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 20.1 m -58.2 -27.63 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 120.836 1.653 . . . . 10.0 114.232 -170.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.13 -49.91 6.3 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.525 1.676 . . . . 10.0 115.525 173.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -103.33 -24.02 13.53 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 114.31 1.226 . . . . 10.0 114.31 -169.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -143.71 74.27 16.73 Favored Pre-proline 0 N--CA 1.472 0.64 0 C-N-CA 124.788 1.235 . . . . 10.0 110.862 172.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -68.29 -5.96 16.23 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 121.998 1.799 . . . . 10.0 114.943 -170.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.97 -30.75 5.57 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 124.791 1.186 . . . . 10.0 112.484 174.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -13.87 59.79 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.556 1.178 . . . . 10.0 111.038 169.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.255 1.345 1 C-N-CA 133.26 4.624 . . . . 10.0 106.682 179.083 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -153.49 16.56 0.66 Allowed Glycine 0 C--N 1.341 0.827 0 CA-C-O 118.471 -1.183 . . . . 10.0 113.413 170.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 64.92 -42.86 0.32 Allowed 'General case' 0 C--N 1.352 0.69 0 C-N-CA 127.514 2.326 . . . . 10.0 113.709 -171.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.4 t -68.9 -15.01 63.38 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.303 1.223 . . . . 10.0 114.303 173.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -87.89 -39.23 14.96 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.606 1.162 . . . . 10.0 111.837 172.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -47.6 -47.67 28.67 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 126.669 1.988 . . . . 10.0 111.541 -173.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -40.44 96.16 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.731 1.151 . . . . 10.0 112.837 -178.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.53 -40.89 76.62 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.5 0.72 . . . . 10.0 112.093 174.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.3 mt -60.48 -51.08 71.0 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.153 0.433 . . . . 10.0 110.774 173.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.3 tp -54.61 -43.36 72.13 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 128.711 2.804 . . . . 10.0 110.448 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -60.26 -53.49 57.09 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.058 0.943 . . . . 10.0 113.102 172.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -64.29 -34.11 77.37 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.826 1.194 . . . . 10.0 111.996 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.49 -53.58 45.9 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 118.114 -0.946 . . . . 10.0 110.882 175.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -68.17 -23.83 64.9 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 120.286 1.403 . . . . 10.0 112.3 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.6 m -64.61 -57.05 10.16 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 118.329 -0.843 . . . . 10.0 109.781 169.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tp -47.54 -53.93 13.08 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.797 0.726 . . . . 10.0 110.8 172.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.624 HD12 HD22 ' B' ' 64' ' ' LEU . 1.5 tp -70.17 0.13 6.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 126.099 1.759 . . . . 10.0 115.196 -177.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.2 p -143.33 9.2 1.63 Allowed 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 115.306 1.595 . . . . 10.0 115.306 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -41.38 -11.4 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.072 1 C-N-CA 133.739 4.816 . . . . 10.0 119.719 -170.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.7 p 117.29 -29.61 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.31 1 C-N-CA 133.058 4.543 . . . . 10.0 113.441 -178.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.79 -49.86 69.91 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 120.623 1.556 . . . . 10.0 113.462 -170.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 55.57 -19.26 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 128.479 2.712 . . . . 10.0 116.756 -174.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.1 p -39.53 -59.5 1.1 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 129.571 3.148 . . . . 10.0 115.575 -168.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.05 -20.23 16.81 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 123.957 0.789 . . . . 10.0 114.108 174.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mp -59.44 -27.76 66.36 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 117.285 0.542 . . . . 10.0 110.89 172.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -40.68 -59.05 1.47 Allowed 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 127.406 2.283 . . . . 10.0 113.512 172.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -50.81 -48.71 59.6 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.465 1.029 . . . . 10.0 112.441 174.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.1 mm -60.44 -43.7 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 124.975 1.31 . . . . 10.0 110.078 177.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -62.24 -46.05 90.57 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.211 1.404 . . . . 10.0 112.019 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -69.59 -34.82 74.66 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 119.243 0.929 . . . . 10.0 111.279 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.91 -19.94 33.51 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.654 0.983 . . . . 10.0 113.654 169.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.445 HD21 ' HE1' ' B' ' 87' ' ' MET . 31.9 mt -108.56 9.04 27.44 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.11 2.164 . . . . 10.0 112.556 171.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 65.97 15.47 62.69 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 125.796 1.665 . . . . 10.0 114.484 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.279 67.6 mt -54.59 -58.62 13.34 Favored Pre-proline 0 CA--C 1.548 0.883 0 CA-C-N 119.882 1.841 . . . . 10.0 113.012 -171.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -55.42 -33.86 87.19 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 122.485 2.124 . . . . 10.0 113.88 174.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 mp0 -70.77 -42.01 70.97 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.982 1.313 . . . . 10.0 111.56 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.57 -33.04 74.98 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.538 1.935 . . . . 10.0 111.849 170.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.7 t -64.9 -52.16 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.754 1.222 . . . . 10.0 110.609 169.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -56.77 -39.49 74.13 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.889 1.222 . . . . 10.0 113.125 175.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -20.47 66.35 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.349 1.459 . . . . 10.0 113.788 171.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.04 -5.89 69.38 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.729 1.633 . . . . 10.0 113.799 -173.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -53.37 -35.53 60.39 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.185 1.794 . . . . 10.0 111.384 177.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.11 -31.45 0.57 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.624 1.97 . . . . 10.0 115.212 170.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.7 mt -76.52 -8.89 58.12 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.33 1.052 . . . . 10.0 113.683 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -67.51 163.23 49.61 Favored Pre-proline 0 CA--C 1.551 1.005 0 CA-C-N 119.362 0.983 . . . . 10.0 111.543 169.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.96 -9.49 26.15 Favored 'Trans proline' 0 CA--C 1.549 1.274 0 C-N-CA 122.905 2.403 . . . . 10.0 111.875 168.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.268 2.043 0 C-N-CA 129.668 3.187 . . . . 10.0 110.232 176.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.477 ' HA ' ' O ' ' B' ' 51' ' ' SER . 23.8 Cg_exo . . . . . 0 CA--C 1.548 1.187 0 N-CA-C 114.752 1.02 . . . . 10.0 114.752 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -149.12 -52.27 0.16 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.803 1.241 . . . . 10.0 112.589 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -76.13 -31.24 58.51 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.168 0.587 . . . . 10.0 111.156 170.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.477 ' O ' ' HA ' ' B' ' 48' ' ' PRO . 6.3 m -128.79 112.43 14.16 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 103.767 -2.679 . . . . 10.0 103.767 169.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.521 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.1 OUTLIER -89.88 -8.8 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 118.531 0.605 . . . . 10.0 111.079 -176.516 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 88.7 p -92.19 -3.56 0.1 OUTLIER Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 119.776 3.25 . . . . 10.0 119.776 175.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -67.38 -20.3 48.6 Favored 'Trans proline' 0 C--N 1.354 0.86 0 CA-C-N 125.48 2.993 . . . . 10.0 112.731 -174.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 73.3 p -90.14 -36.53 14.77 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 118.902 0.774 . . . . 10.0 112.206 168.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.07 -28.79 69.33 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.52 1.055 . . . . 10.0 111.746 170.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.44 -25.28 65.86 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 128.089 2.555 . . . . 10.0 113.15 169.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -89.7 -60.44 1.94 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 121.988 0.899 . . . . 10.0 109.658 169.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.71 -37.46 19.36 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 118.759 2.874 . . . . 10.0 118.759 -166.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.44 -34.84 31.24 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.693 0.679 . . . . 10.0 109.422 175.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.75 -59.41 5.07 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.494 1.118 . . . . 10.0 110.615 170.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 37.8 ptt85 -59.43 -33.22 70.99 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-N 120.448 1.476 . . . . 10.0 112.139 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 13.7 m -65.05 -22.38 66.97 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.815 1.646 . . . . 10.0 114.781 178.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.624 HD22 HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -118.42 -12.51 9.85 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.993 1.27 . . . . 10.0 113.67 172.384 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -65.89 -38.03 87.69 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 106.721 -1.585 . . . . 10.0 106.721 167.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 11.6 p -72.88 136.81 79.8 Favored Pre-proline 0 CA--C 1.551 0.989 0 N-CA-C 104.973 -2.232 . . . . 10.0 104.973 167.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -74.71 152.36 42.24 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 N-CA-C 115.928 1.472 . . . . 10.0 115.928 -168.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 8.9 m -51.85 -2.2 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 129.912 3.285 . . . . 10.0 116.542 -176.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.3 t -71.89 -74.86 0.13 Allowed Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 120.19 1.359 . . . . 10.0 110.539 177.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -67.87 -28.72 35.84 Favored 'Trans proline' 0 C--N 1.352 0.738 0 CA-C-N 121.611 1.611 . . . . 10.0 111.534 169.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -74.48 -0.02 16.17 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.094 1.146 . . . . 10.0 114.094 -177.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -51.03 -35.05 32.29 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.65 1.58 . . . . 10.0 112.47 169.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -69.71 162.68 27.27 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.907 1.283 . . . . 10.0 112.738 -170.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -52.8 -2.55 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 128.637 2.775 . . . . 10.0 115.957 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.53 -24.09 66.39 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 120.67 1.577 . . . . 10.0 112.805 172.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.61 -52.69 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 107.825 -1.176 . . . . 10.0 107.825 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.32 -41.52 84.72 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.873 1.269 . . . . 10.0 110.858 -173.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -60.18 -31.98 70.63 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.262 1.025 . . . . 10.0 113.616 175.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 62.9 mt -89.87 -42.32 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 119.743 1.156 . . . . 10.0 110.394 176.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 mt -40.35 -52.51 2.69 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.808 2.443 . . . . 10.0 112.225 172.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -56.93 -19.91 20.56 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.02 1.118 . . . . 10.0 114.02 -177.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 84.8 p -78.73 -16.84 56.74 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.805 1.409 . . . . 10.0 114.805 -177.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -122.03 102.79 40.32 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 108.141 -1.059 . . . . 10.0 108.141 171.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -59.93 -37.63 84.22 Favored 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 123.443 2.762 . . . . 10.0 112.944 -176.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -64.62 -48.32 75.33 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.307 1.043 . . . . 10.0 110.147 176.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -40.36 95.39 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.424 1.089 . . . . 10.0 110.09 177.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' MET . . . . . 0.445 ' HE1' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -58.65 -51.52 69.6 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.074 0.95 . . . . 10.0 112.099 173.718 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.94 96.52 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 119.19 -0.433 . . . . 10.0 111.704 175.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.61 -36.77 83.84 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 123.652 0.781 . . . . 10.0 112.173 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -62.17 -60.56 3.42 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.778 1.231 . . . . 10.0 108.601 169.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 82.7 mt -48.03 -43.99 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 120.602 1.546 . . . . 10.0 111.966 176.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -67.94 -60.25 2.65 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 113.752 1.019 . . . . 10.0 113.752 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -24.89 66.16 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.937 1.244 . . . . 10.0 111.902 -175.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -71.18 -51.2 26.17 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.135 1.374 . . . . 10.0 112.269 169.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 14.9 p -54.09 -44.43 71.2 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.615 0.643 . . . . 10.0 111.307 172.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.52 -53.28 59.37 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.303 1.841 . . . . 10.0 113.295 173.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -43.34 -52.04 6.05 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.872 1.669 . . . . 10.0 110.612 171.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -63.89 -61.33 2.35 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 117.036 -1.459 . . . . 10.0 111.966 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 32.5 m -55.79 -29.83 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 120.926 1.694 . . . . 10.0 113.765 -174.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.08 -26.18 20.38 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 116.526 2.047 . . . . 10.0 116.526 178.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -133.9 -23.7 1.75 Allowed 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 115.07 1.507 . . . . 10.0 115.07 -171.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -146.83 74.37 12.23 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 125.804 1.641 . . . . 10.0 107.065 175.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -72.27 72.72 2.79 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 124.062 3.175 . . . . 10.0 114.769 -168.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 58.83 17.95 37.48 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 126.35 1.929 . . . . 10.0 116.135 169.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -13.02 2.98 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.581 1.952 . . . . 10.0 115.687 -171.127 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 . . . . . 0 C--O 1.251 1.182 0 C-N-CA 127.459 2.303 . . . . 10.0 108.619 170.518 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.482 ' H2 ' ' CG ' ' A' ' 5' ' ' ASP . 1.7 tp10 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 118.322 -0.847 . . . . 10.0 113.039 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.55 1.71 81.33 Favored Glycine 0 CA--C 1.538 1.488 0 CA-C-N 119.855 1.207 . . . . 10.0 113.309 169.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 63.39 -28.95 0.09 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 130.507 3.523 . . . . 10.0 113.932 -175.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.1 m -63.39 -24.0 67.65 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.59 1.556 . . . . 10.0 110.582 167.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.482 ' CG ' ' H2 ' ' A' ' 1' ' ' GLU . 4.5 p30 -83.76 -46.8 11.84 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 126.852 2.061 . . . . 10.0 109.463 175.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.429 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 30.7 tp10 -48.69 -54.59 14.2 Favored 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 125.403 1.481 . . . . 10.0 111.005 170.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -46.05 91.93 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.137 0.881 . . . . 10.0 112.445 -174.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.77 -38.09 85.9 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 118.357 -0.83 . . . . 10.0 112.28 175.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.516 HD22 ' C ' ' A' ' 9' ' ' LEU 0.405 0.0 OUTLIER -76.88 -34.85 57.75 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.675 1.125 . . . . 10.0 111.612 -179.731 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.5 tp -54.52 -46.69 73.58 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 128.063 2.545 . . . . 10.0 109.474 169.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -56.44 -56.53 20.08 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 113.87 1.063 . . . . 10.0 113.87 173.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.403 ' HG3' ' HA ' ' A' ' 9' ' ' LEU . 2.7 pp0? -65.33 -24.72 67.34 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.695 0.998 . . . . 10.0 113.695 177.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.4 tp -79.74 -41.32 26.91 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.064 0.847 . . . . 10.0 112.075 178.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -70.09 -29.45 66.43 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.271 1.396 . . . . 10.0 111.451 171.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.9 m -60.81 -55.71 29.87 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.226 1.011 . . . . 10.0 110.652 169.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.458 HD22 HD12 ' B' ' 61' ' ' LEU . 6.5 tp -48.32 -51.59 25.38 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 123.991 0.916 . . . . 10.0 110.755 174.473 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.533 HD22 ' CE1' ' B' ' 90' ' ' PHE . 10.7 mt -65.24 -18.42 65.3 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 115.173 1.545 . . . . 10.0 115.173 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 m -126.17 14.88 7.84 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.391 0.996 . . . . 10.0 112.86 -169.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -56.05 -7.84 0.39 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 130.742 3.617 . . . . 10.0 116.576 -169.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.1 p 115.94 -17.92 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.25 1 C-N-CA 134.443 5.097 . . . . 10.0 112.585 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -63.42 153.97 33.6 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-O 123.13 1.443 . . . . 10.0 113.199 171.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.51 1.28 1.04 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.773 2.029 . . . . 10.0 113.12 169.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 m -47.08 -59.94 2.8 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 115.898 1.814 . . . . 10.0 115.898 -168.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.77 -14.26 14.38 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 123.221 0.439 . . . . 10.0 112.374 169.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.0 mt -57.42 -26.67 61.49 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 117.9 -1.048 . . . . 10.0 112.404 169.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -46.79 -37.34 8.45 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 117.954 -1.022 . . . . 10.0 111.874 169.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.1 -53.42 55.71 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 119.539 1.063 . . . . 10.0 112.749 175.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.9 mm -69.26 -29.56 42.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 N-CA-C 108.514 -0.921 . . . . 10.0 108.514 -174.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.59 -53.31 29.2 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.77 1.228 . . . . 10.0 110.997 171.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.6 ptt85 -63.18 -37.19 86.26 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.046 1.293 . . . . 10.0 112.528 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.13 -20.02 37.15 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.835 1.254 . . . . 10.0 113.463 172.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.1 mt -117.94 12.85 13.86 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.783 1.633 . . . . 10.0 111.821 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.99 9.14 52.88 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.579 1.561 . . . . 10.0 115.985 176.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.2 mt -50.84 -45.8 87.06 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-O 117.224 -1.37 . . . . 10.0 113.924 -169.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -58.13 -21.19 49.96 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 122.924 2.416 . . . . 10.0 114.847 175.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -90.62 -32.15 16.37 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.206 0.912 . . . . 10.0 111.806 169.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.6 mt -60.65 -28.14 68.34 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.867 1.212 . . . . 10.0 112.126 170.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.6 t -59.25 -56.61 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 126.431 1.892 . . . . 10.0 109.964 168.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -58.2 -37.16 74.25 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.473 0.709 . . . . 10.0 110.882 174.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . 2.331 26.9 pt20 -53.2 -19.75 3.36 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 130.033 3.333 . . . . 10.0 114.39 169.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.8 11.33 60.27 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 125.868 1.699 . . . . 10.0 114.103 -172.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -62.58 -16.89 58.64 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 115.08 1.511 . . . . 10.0 115.08 -169.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.15 74.72 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 120.992 -1.068 . . . . 10.0 113.278 169.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.84 -23.37 36.47 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.073 1.349 . . . . 10.0 114.241 -170.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -72.3 160.64 82.21 Favored Pre-proline 0 CA--C 1.547 0.848 0 N-CA-C 114.122 1.156 . . . . 10.0 114.122 -174.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.72 -9.76 27.13 Favored 'Trans proline' 0 CA--C 1.543 0.957 0 C-N-CA 123.874 3.049 . . . . 10.0 113.648 175.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.933 0 C-N-CA 127.258 2.223 . . . . 10.0 107.248 169.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . 0.277 46.6 Cg_exo . . . . . 0 CA--C 1.54 0.802 0 N-CA-C 114.674 0.99 . . . . 10.0 114.674 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . 0.288 0.0 OUTLIER -130.61 -14.09 3.69 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.105 0.779 . . . . 10.0 113.105 169.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 4.6 mtm-85 -92.29 -30.99 15.56 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.496 1.118 . . . . 10.0 108.853 168.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 86.6 p -118.2 110.3 17.41 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 130.033 3.333 . . . . 10.0 106.323 168.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.446 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.1 OUTLIER -90.59 -5.07 10.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 124.35 1.06 . . . . 10.0 112.366 179.519 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 53' ' ' SER . . . . . 0.404 ' HB3' HD22 ' B' ' 83' ' ' ASN . 71.9 p -116.54 12.18 0.07 OUTLIER Pre-proline 0 N--CA 1.478 0.934 0 N-CA-C 118.25 2.685 . . . . 10.0 118.25 176.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -65.31 -19.91 61.93 Favored 'Trans proline' 0 CA--C 1.548 1.18 0 CA-C-N 125.47 2.989 . . . . 10.0 112.777 175.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.5 p -80.1 -55.03 5.23 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 127.004 2.122 . . . . 10.0 110.91 169.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.81 -26.09 61.49 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.544 1.538 . . . . 10.0 113.616 173.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.06 -30.49 66.22 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 127.657 2.383 . . . . 10.0 112.093 169.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -90.67 -60.11 2.0 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.409 0.684 . . . . 10.0 109.251 169.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ASP . . . . . 0.46 ' CG ' HH21 ' B' ' 62' ' ' ARG . 0.9 OUTLIER -80.09 -40.72 26.98 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 117.194 2.294 . . . . 10.0 117.194 -168.476 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 tt -74.95 -38.74 61.65 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.0 -1.111 . . . . 10.0 108.0 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.458 HD12 HD22 ' A' ' 16' ' ' LEU . 27.9 tp -53.74 -53.92 45.39 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 124.526 1.131 . . . . 10.0 109.959 169.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.46 HH21 ' CG ' ' B' ' 59' ' ' ASP . 16.3 ttp85 -52.57 -48.67 66.05 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.993 1.717 . . . . 10.0 112.126 171.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' THR . . . . . 0.492 HG23 ' NE2' ' B' ' 75' ' ' GLN . 1.0 OUTLIER -58.98 -20.95 57.46 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 127.395 2.278 . . . . 10.0 115.41 -178.739 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.442 ' CD2' ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -117.14 -20.34 9.31 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.686 1.365 . . . . 10.0 114.686 171.392 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -58.4 -39.1 78.78 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 107.337 -1.357 . . . . 10.0 107.337 167.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 6.3 p -73.63 108.76 5.25 Favored Pre-proline 0 CA--C 1.55 0.966 0 N-CA-C 102.491 -3.152 . . . . 10.0 102.491 166.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.86 148.06 69.3 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 122.43 2.087 . . . . 10.0 117.266 -167.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 10.3 p -55.81 -26.33 45.85 Favored 'General case' 0 C--O 1.219 -0.543 0 C-N-CA 125.039 1.336 . . . . 10.0 113.724 -173.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 40.5 t -49.7 -67.88 0.4 Allowed Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.058 1.343 . . . . 10.0 112.703 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.99 -23.18 25.49 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 CA-C-N 121.714 1.648 . . . . 10.0 112.869 169.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -90.17 15.04 11.01 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.937 1.829 . . . . 10.0 115.937 -171.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -46.56 -27.29 1.08 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 128.739 2.815 . . . . 10.0 115.643 175.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -64.27 165.31 9.68 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 122.961 1.362 . . . . 10.0 112.942 -175.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -55.54 -1.65 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.292 2.237 . . . . 10.0 115.193 173.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' GLN . . . . . 0.492 ' NE2' HG23 ' B' ' 63' ' ' THR . 2.3 pp0? -55.26 -31.82 61.85 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 120.059 1.299 . . . . 10.0 114.193 172.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.479 ' HA ' HG21 ' B' ' 63' ' ' THR . 2.5 t -68.53 -51.11 49.95 Favored 'Isoleucine or valine' 0 C--N 1.348 0.5 0 N-CA-C 107.8 -1.185 . . . . 10.0 107.8 173.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.418 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 0.8 OUTLIER -60.06 -37.97 81.44 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.995 0.918 . . . . 10.0 110.504 -173.057 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -64.07 -28.38 69.74 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 124.896 1.278 . . . . 10.0 114.05 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.3 mt -90.5 -43.33 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 119.986 1.266 . . . . 10.0 110.056 172.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.418 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 6.0 mt -40.29 -56.74 1.9 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.924 2.49 . . . . 10.0 112.674 173.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -13.22 21.78 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.491 1.293 . . . . 10.0 114.491 -172.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 83.3 p -76.78 -21.52 55.05 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.205 1.187 . . . . 10.0 114.205 175.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ASN . . . . . 0.404 HD22 ' HB3' ' B' ' 53' ' ' SER . 37.4 t-20 -117.2 100.87 53.26 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 119.61 1.095 . . . . 10.0 109.816 173.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -57.61 -40.61 78.8 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.491 2.794 . . . . 10.0 113.291 -175.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -74.04 -38.38 64.01 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 118.116 -0.945 . . . . 10.0 112.335 -178.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.05 -36.96 86.0 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 124.293 1.037 . . . . 10.0 109.473 170.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -51.51 69.22 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 119.722 1.146 . . . . 10.0 112.703 172.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.51 97.7 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.624 0.647 . . . . 10.0 112.26 175.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.71 87.79 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 118.224 -0.893 . . . . 10.0 112.688 175.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.533 ' CE1' HD22 ' A' ' 17' ' ' LEU . 65.6 t80 -57.29 -60.96 2.84 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 125.239 1.416 . . . . 10.0 108.418 169.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 91.8 mt -51.15 -51.12 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 118.733 0.697 . . . . 10.0 110.952 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -61.0 -60.1 4.32 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 124.142 0.977 . . . . 10.0 112.4 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -32.45 72.99 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 117.163 -1.399 . . . . 10.0 110.383 -174.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -60.82 -48.08 83.41 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 121.864 2.12 . . . . 10.0 110.471 169.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 3.1 m -58.31 -45.8 87.33 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.248 0.476 . . . . 10.0 111.591 176.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.82 92.15 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.763 1.225 . . . . 10.0 112.716 173.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -47.67 65.65 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 125.189 1.396 . . . . 10.0 110.11 173.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -58.14 -60.43 3.76 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 118.613 0.642 . . . . 10.0 111.62 176.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 32.8 m -63.22 -20.04 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 119.671 1.123 . . . . 10.0 113.647 -175.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.25 -7.94 52.22 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 115.864 1.802 . . . . 10.0 115.864 172.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -139.61 -28.62 0.76 Allowed 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -169.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -137.47 72.9 50.18 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 128.966 2.907 . . . . 10.0 108.315 169.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -68.18 1.34 3.55 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 124.024 3.149 . . . . 10.0 115.216 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.83 -45.95 1.95 Allowed Glycine 0 N--CA 1.471 1.006 0 O-C-N 120.331 -1.48 . . . . 10.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 27.9 ptm -71.78 -11.66 60.92 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.409 0.684 . . . . 10.0 111.768 168.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.256 1.421 0 C-N-CA 131.279 3.831 . . . . 10.0 107.693 171.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 118.845 -0.598 . . . . 10.0 112.377 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.7 52.36 1.22 Allowed Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.923 1.249 . . . . 10.0 114.385 176.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 45.18 -15.8 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.011 1 C-N-CA 134.519 5.127 . . . . 10.0 119.68 178.32 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.5 m -60.12 -39.04 84.85 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 128.798 2.839 . . . . 10.0 109.993 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -84.15 -36.11 23.11 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 126.222 1.809 . . . . 10.0 112.593 169.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.416 ' CD ' HH21 ' B' ' 50' ' ' ARG . 43.0 tt0 -52.32 -54.67 28.67 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 119.448 1.022 . . . . 10.0 111.82 -175.253 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -67.05 -48.0 69.61 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 118.913 -1.115 . . . . 10.0 110.349 -170.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.76 95.76 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 118.459 -0.782 . . . . 10.0 112.767 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.402 HD22 ' C ' ' A' ' 9' ' ' LEU 0.35 0.0 OUTLIER -77.08 -32.6 56.8 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.803 1.183 . . . . 10.0 110.696 -179.482 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 tp -61.55 -47.73 84.21 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 119.602 1.092 . . . . 10.0 111.04 169.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.414 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 42.5 m-20 -57.68 -52.34 65.82 Favored 'General case' 0 C--O 1.241 0.605 0 N-CA-C 112.894 0.701 . . . . 10.0 112.894 173.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -29.17 68.21 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 118.947 0.794 . . . . 10.0 113.073 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -74.29 -46.35 41.82 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 117.041 -1.457 . . . . 10.0 110.956 174.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.414 ' CD2' ' HA ' ' A' ' 11' ' ' ASP . 3.4 p80 -67.43 -28.51 67.95 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 121.459 1.936 . . . . 10.0 111.376 178.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.8 m -60.38 -57.54 12.34 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.953 0.901 . . . . 10.0 109.642 169.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 tp -50.27 -55.28 16.05 Favored 'General case' 0 C--O 1.23 0.062 0 CA-C-N 118.636 0.653 . . . . 10.0 111.533 173.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.5 HD12 ' HG ' ' B' ' 64' ' ' LEU . 4.5 tp -67.78 -10.53 53.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.261 1.424 . . . . 10.0 112.807 -172.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.6 p -133.65 6.58 3.76 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 116.086 1.884 . . . . 10.0 116.086 -177.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.7 p30 -39.73 0.92 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.071 1 C-N-CA 135.655 5.582 . . . . 10.0 121.221 -168.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.0 p 116.7 -25.7 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.295 1 C-N-CA 132.668 4.387 . . . . 10.0 112.367 176.356 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.47 161.13 12.33 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 123.623 1.678 . . . . 10.0 112.995 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.24 -9.58 1.13 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 127.08 2.152 . . . . 10.0 112.749 169.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.8 m -51.21 -43.47 61.42 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 126.158 1.783 . . . . 10.0 115.336 -169.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.93 -18.67 3.83 Favored Glycine 0 CA--C 1.536 1.348 0 CA-C-O 119.252 -0.749 . . . . 10.0 113.189 169.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.43 -27.04 67.18 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.276 1.038 . . . . 10.0 112.761 169.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -40.6 -54.34 2.56 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.164 1.786 . . . . 10.0 113.711 170.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.411 ' HA ' ' HG2' ' A' ' 30' ' ' ARG . 5.0 tt0 -62.66 -42.31 99.54 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 126.173 1.789 . . . . 10.0 112.648 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.5 mm -63.99 -41.36 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 118.101 0.409 . . . . 10.0 110.928 170.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -64.43 -48.8 73.98 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.094 0.958 . . . . 10.0 110.918 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.411 ' HG2' ' HA ' ' A' ' 27' ' ' GLU . 11.4 ptt85 -66.0 -34.6 78.47 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 117.952 -1.023 . . . . 10.0 112.928 176.182 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.57 -19.94 42.54 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.532 1.06 . . . . 10.0 112.942 170.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.8 mt -117.15 14.2 14.85 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.247 1.819 . . . . 10.0 112.049 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.38 13.43 43.81 Favored Glycine 0 CA--C 1.535 1.321 0 N-CA-C 115.858 1.103 . . . . 10.0 115.858 177.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.7 mt -58.53 -41.13 87.46 Favored Pre-proline 0 N--CA 1.475 0.785 0 CA-C-N 119.258 1.529 . . . . 10.0 113.536 -169.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -58.83 -26.94 82.46 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.524 2.149 . . . . 10.0 114.77 169.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -44.18 34.14 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.013 -1.054 . . . . 10.0 110.622 169.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.428 ' HB3' ' HE2' ' A' ' 47' ' ' LYS . 83.1 mt -51.32 -33.65 30.09 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.721 0.691 . . . . 10.0 112.151 170.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.92 -60.55 2.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 123.515 0.726 . . . . 10.0 110.474 169.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -54.03 -42.58 69.3 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.716 1.606 . . . . 10.0 114.527 -175.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -65.0 -20.31 66.44 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 115.245 1.572 . . . . 10.0 115.245 -176.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.83 -93.1 0.09 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 109.747 -1.341 . . . . 10.0 109.747 175.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -162.63 -128.26 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.321 1.849 . . . . 10.0 108.235 168.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.428 ' HB3' HG21 ' B' ' 99' ' ' VAL . . . -137.85 25.19 2.81 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.243 -0.911 . . . . 10.0 113.087 174.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.8 mt -84.66 -23.53 29.42 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.044 0.938 . . . . 10.0 111.072 172.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -60.86 169.93 1.72 Allowed Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 128.432 2.693 . . . . 10.0 112.268 169.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -71.72 12.85 0.51 Allowed 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 123.404 2.736 . . . . 10.0 115.239 172.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.428 ' HE2' ' HB3' ' A' ' 37' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.394 0 C-N-CA 129.489 3.116 . . . . 10.0 111.179 -174.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' B' ' 51' ' ' SER . 21.5 Cg_endo . . . . . 0 N--CA 1.482 0.83 0 N-CA-C 108.114 -1.533 . . . . 10.0 108.114 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -130.8 -31.68 1.72 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.89 0.876 . . . . 10.0 112.152 -167.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.416 HH21 ' CD ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -105.04 -53.33 2.68 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 105.997 -1.853 . . . . 10.0 105.997 168.178 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' B' ' 48' ' ' PRO . 59.6 m -81.18 91.36 6.15 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 104.581 -2.378 . . . . 10.0 104.581 167.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.88 8.16 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 O-C-N 121.259 -0.9 . . . . 10.0 112.143 -173.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 11.7 p -131.28 5.8 0.04 OUTLIER Pre-proline 0 CA--C 1.554 1.118 0 N-CA-C 117.805 2.52 . . . . 10.0 117.805 -175.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -65.19 -18.02 60.1 Favored 'Trans proline' 0 C--N 1.355 0.904 0 CA-C-N 125.405 2.966 . . . . 10.0 113.07 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 15.7 p -77.46 -49.32 15.05 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 126.071 1.748 . . . . 10.0 111.169 169.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.05 -30.29 67.93 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.997 1.319 . . . . 10.0 112.369 171.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 29.6 tp -57.31 -22.77 44.25 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.83 1.252 . . . . 10.0 111.883 169.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -91.42 -60.02 1.99 Allowed 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.012 0.823 . . . . 10.0 109.314 169.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.02 -39.22 19.9 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 117.794 2.516 . . . . 10.0 117.794 -168.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 tp -76.72 -33.43 58.18 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.583 -0.698 . . . . 10.0 110.258 175.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 tp -57.89 -59.91 4.52 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 117.369 -1.3 . . . . 10.0 110.807 171.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 50.2 ptt85 -55.81 -35.34 66.22 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 120.899 1.681 . . . . 10.0 112.506 176.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 8.8 m -66.19 -25.16 66.8 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.951 2.1 . . . . 10.0 113.89 -176.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.5 ' HG ' HD12 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -113.43 -21.26 10.96 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.042 1.337 . . . . 10.0 112.191 175.039 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.21 -29.79 70.63 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.878 -1.058 . . . . 10.0 110.724 168.052 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 6.9 p -84.27 110.96 30.17 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 102.585 -3.117 . . . . 10.0 102.585 166.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -65.79 170.74 10.88 Favored 'Trans proline' 0 C--N 1.35 0.611 0 N-CA-C 115.668 1.372 . . . . 10.0 115.668 -169.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 3.0 m -50.71 -18.68 0.76 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 128.293 2.637 . . . . 10.0 115.371 -170.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 56.4 p -49.03 114.46 3.82 Favored Pre-proline 0 CA--C 1.529 0.143 0 C-N-CA 127.034 2.134 . . . . 10.0 108.431 168.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . 0.343 1.7 Cg_exo 42.13 -10.26 0.0 OUTLIER 'Trans proline' 0 CA--C 1.544 1.023 1 C-N-CA 125.754 4.303 . . . . 10.0 121.037 -167.896 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -72.53 -10.38 59.73 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.063 1.745 . . . . 10.0 112.277 169.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -43.92 -12.64 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 130.67 3.588 . . . . 10.0 118.902 175.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.89 -174.49 2.59 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.539 1.311 . . . . 10.0 114.539 -169.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -48.31 -14.8 0.06 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 128.513 2.725 . . . . 10.0 116.948 -169.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -24.63 65.57 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 123.313 2.779 . . . . 10.0 113.324 169.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -70.61 -54.6 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 120.468 1.485 . . . . 10.0 107.729 169.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -35.96 74.65 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.283 1.433 . . . . 10.0 112.232 -172.423 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -65.14 -33.29 75.67 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 125.431 1.492 . . . . 10.0 112.81 176.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 29.7 mt -86.38 -45.6 16.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 119.735 1.152 . . . . 10.0 109.232 175.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.5 mt -39.37 -53.88 1.94 Allowed 'General case' 0 C--N 1.355 0.805 0 C-N-CA 127.933 2.493 . . . . 10.0 112.37 175.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -59.19 -19.89 49.18 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.747 1.388 . . . . 10.0 114.747 -176.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 63.3 p -78.04 -9.23 59.03 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 113.923 1.083 . . . . 10.0 113.923 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -129.87 75.22 79.86 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 119.048 0.84 . . . . 10.0 110.514 -171.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -41.41 -56.59 1.74 Allowed 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 125.179 3.92 . . . . 10.0 115.731 -169.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -61.6 -42.48 98.93 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.43 0.9 . . . . 10.0 113.43 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.0 -41.47 98.1 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.37 1.068 . . . . 10.0 110.88 173.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -53.74 54.88 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.353 0.661 . . . . 10.0 111.108 175.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.7 95.08 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.043 0.386 . . . . 10.0 112.043 175.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.26 98.56 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 118.499 -0.762 . . . . 10.0 112.867 175.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.471 ' CD1' ' HG ' ' A' ' 17' ' ' LEU . 68.3 t80 -56.95 -58.83 6.44 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 117.182 -1.389 . . . . 10.0 108.736 169.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 77.9 mt -48.85 -58.55 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 119.702 1.137 . . . . 10.0 110.282 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.494 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.0 OUTLIER -54.77 -57.25 12.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.649 1.179 . . . . 10.0 112.146 -179.131 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -36.58 81.65 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 118.183 -0.913 . . . . 10.0 111.503 -176.393 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -55.28 -50.0 70.67 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 120.656 1.571 . . . . 10.0 110.592 169.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -57.98 -44.19 86.96 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.149 0.886 . . . . 10.0 111.67 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.89 -44.71 95.35 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.188 0.995 . . . . 10.0 112.538 176.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -44.66 73.56 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.396 1.478 . . . . 10.0 110.515 172.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -59.11 -59.24 5.79 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-O 118.275 -0.869 . . . . 10.0 111.826 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' A' ' 43' ' ' ALA . 21.2 m -63.67 -21.49 28.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-N 119.466 1.03 . . . . 10.0 113.472 -178.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.37 -30.47 23.61 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.955 1.465 . . . . 10.0 114.955 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -128.96 -21.39 3.34 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.756 1.391 . . . . 10.0 114.756 -170.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -143.48 57.68 5.67 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 125.404 1.482 . . . . 10.0 111.475 174.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -72.53 -47.32 0.39 Allowed 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.683 2.255 . . . . 10.0 112.697 -173.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 74.33 -56.56 2.4 Favored Glycine 0 CA--C 1.533 1.169 0 CA-C-O 119.042 -0.866 . . . . 10.0 112.543 -169.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -142.92 -15.7 0.7 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 117.003 2.223 . . . . 10.0 117.003 -177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.054 0 C-N-CA 124.855 1.262 . . . . 10.0 113.268 -171.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 112.803 0.668 . . . . 10.0 112.803 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -152.44 -4.96 0.14 Allowed Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.165 1.364 . . . . 10.0 113.559 169.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 66.46 -34.99 0.22 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 130.385 3.474 . . . . 10.0 111.954 -169.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.3 m -64.82 -18.18 64.9 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.005 1.722 . . . . 10.0 111.058 167.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -85.2 -55.63 3.94 Favored 'General case' 0 C--O 1.217 -0.622 0 C-N-CA 125.182 1.393 . . . . 10.0 108.11 168.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -56.59 -50.92 70.55 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.611 0.764 . . . . 10.0 112.418 -172.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.71 -42.73 67.0 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 119.449 -0.9 . . . . 10.0 111.5 -172.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.56 95.06 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 118.694 -0.67 . . . . 10.0 112.167 175.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.568 HD22 ' C ' ' A' ' 9' ' ' LEU 0.381 0.0 OUTLIER -72.62 -39.58 67.15 Favored 'General case' 0 C--N 1.348 0.523 0 CA-C-O 118.113 -0.946 . . . . 10.0 110.755 179.903 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.0 tp -54.81 -48.76 72.36 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.889 1.676 . . . . 10.0 110.575 171.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.4 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 42.3 m-20 -58.21 -55.1 39.37 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 113.439 0.903 . . . . 10.0 113.439 175.385 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.409 ' HG3' ' HA ' ' A' ' 9' ' ' LEU . 3.5 pp0? -64.53 -29.37 70.4 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-N 119.468 1.031 . . . . 10.0 113.286 177.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.8 tp -75.96 -41.31 51.81 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 117.931 -1.033 . . . . 10.0 111.403 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.4 ' CD2' ' HA ' ' A' ' 11' ' ' ASP . 5.7 p80 -69.92 -32.57 70.92 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 120.418 1.463 . . . . 10.0 111.542 174.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.8 m -66.54 -31.12 71.63 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 118.482 -0.77 . . . . 10.0 112.403 172.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.416 HD22 HD12 ' B' ' 61' ' ' LEU . 1.3 tp -70.35 -59.77 2.67 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 120.472 1.487 . . . . 10.0 109.923 168.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.416 ' HA ' HD22 ' B' ' 64' ' ' LEU . 8.1 tp -65.47 -8.22 18.17 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.564 1.546 . . . . 10.0 113.256 -169.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.9 t -143.25 30.33 1.41 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.418 1.487 . . . . 10.0 112.89 169.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -40.88 -51.38 3.18 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.449 1.5 . . . . 10.0 112.316 176.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.1 p -154.47 -82.07 0.08 Allowed 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 128.955 2.902 . . . . 10.0 106.799 169.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -151.88 179.85 8.09 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.097 1.359 . . . . 10.0 110.82 177.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.75 163.45 29.58 Favored 'General case' 0 N--CA 1.435 -1.22 0 C-N-CA 127.09 2.156 . . . . 10.0 109.323 168.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 p -59.25 -34.38 72.15 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 130.248 3.419 . . . . 10.0 112.56 174.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.97 -49.32 5.09 Favored Glycine 0 C--N 1.336 0.581 0 N-CA-C 111.425 -0.67 . . . . 10.0 111.425 170.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.9 mt -35.38 -52.9 0.64 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 125.829 1.651 . . . . 10.0 114.6 170.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -57.08 -40.8 77.63 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 121.371 1.896 . . . . 10.0 113.756 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -67.86 -49.22 63.33 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 119.179 0.899 . . . . 10.0 111.303 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.1 mm -57.73 -35.17 49.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 122.785 0.434 . . . . 10.0 111.21 177.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -66.23 -53.6 35.09 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.759 1.224 . . . . 10.0 110.541 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.5 ptt85 -64.84 -32.86 74.76 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.054 -1.029 . . . . 10.0 113.273 176.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.18 -20.13 63.83 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.546 1.138 . . . . 10.0 113.249 170.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.0 mt -110.68 14.91 22.25 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.107 1.763 . . . . 10.0 111.792 172.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.86 12.22 47.22 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 125.306 1.432 . . . . 10.0 115.177 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.0 mt -55.56 -45.74 99.83 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 118.776 1.288 . . . . 10.0 113.368 -169.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -56.72 -19.72 31.96 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.174 2.583 . . . . 10.0 115.201 171.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.9 -41.14 13.4 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 119.23 0.923 . . . . 10.0 110.979 169.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.5 mt -54.41 -28.72 45.69 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 170.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.7 t -57.38 -57.2 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 126.348 1.859 . . . . 10.0 109.823 169.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -61.02 -41.42 96.5 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.832 0.853 . . . . 10.0 111.295 178.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -65.17 -19.8 66.15 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.365 1.066 . . . . 10.0 113.413 174.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.44 17.05 54.09 Favored Glycine 0 CA--C 1.527 0.823 0 CA-C-O 118.209 -1.328 . . . . 10.0 115.374 175.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.67 -4.71 1.01 Allowed 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 119.26 1.53 . . . . 10.0 113.949 -171.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.83 -16.84 60.02 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 119.115 -2.24 . . . . 10.0 113.82 169.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.2 mt -88.63 -30.64 19.05 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 117.465 2.394 . . . . 10.0 117.465 -168.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -79.89 170.38 16.1 Favored Pre-proline 0 N--CA 1.475 0.819 0 CA-C-N 120.342 1.428 . . . . 10.0 112.623 -169.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -66.28 -5.08 11.73 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 123.822 3.015 . . . . 10.0 116.105 169.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.45 0 C-N-CA 126.538 1.935 . . . . 10.0 110.857 176.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' B' ' 51' ' ' SER . 16.5 Cg_exo . . . . . 0 N--CA 1.487 1.14 0 CA-C-O 121.566 0.569 . . . . 10.0 111.191 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -136.08 -58.77 0.75 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 126.593 1.957 . . . . 10.0 109.66 -167.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.61 -42.26 18.46 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 106.885 -1.524 . . . . 10.0 106.885 167.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' B' ' 48' ' ' PRO . 22.4 m -82.05 100.06 9.52 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 103.803 -2.666 . . . . 10.0 103.803 168.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.839 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.0 OUTLIER -89.79 -1.45 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.27 1.428 . . . . 10.0 113.715 -169.41 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 8.9 p -124.82 4.94 0.05 OUTLIER Pre-proline 0 CA--C 1.551 0.999 0 N-CA-C 118.441 2.756 . . . . 10.0 118.441 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -66.22 -14.51 44.61 Favored 'Trans proline' 0 CA--C 1.548 1.207 0 CA-C-N 125.596 3.034 . . . . 10.0 114.309 178.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 13.3 p -80.6 -53.07 6.88 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.957 1.703 . . . . 10.0 109.686 169.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.3 -26.6 66.64 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 124.316 1.046 . . . . 10.0 112.405 173.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 25.2 tp -55.17 -29.59 58.15 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 126.317 1.847 . . . . 10.0 110.928 169.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -89.64 -58.97 2.34 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.157 0.983 . . . . 10.0 109.462 170.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -82.23 -40.06 22.18 Favored 'General case' 0 C--N 1.344 0.357 0 N-CA-C 117.811 2.523 . . . . 10.0 117.811 -168.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 tp -74.95 -29.55 60.96 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 120.475 1.489 . . . . 10.0 110.262 175.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.416 HD12 HD22 ' A' ' 16' ' ' LEU . 15.0 tp -63.66 -59.47 4.55 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 118.164 -0.922 . . . . 10.0 110.028 169.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.81 -32.8 67.93 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 120.261 1.391 . . . . 10.0 112.129 175.037 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' THR . . . . . 0.508 HG23 ' NE2' ' B' ' 75' ' ' GLN . 5.8 m -60.75 -23.3 64.84 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.089 1.756 . . . . 10.0 115.652 178.073 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -115.17 -23.89 8.77 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 114.175 1.176 . . . . 10.0 114.175 170.145 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -64.52 -37.74 88.59 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.838 0.744 . . . . 10.0 111.031 168.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 58.1 p -77.87 108.42 7.33 Favored Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 103.498 -2.778 . . . . 10.0 103.498 168.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.45 143.76 53.74 Favored 'Trans proline' 0 CA--C 1.511 -0.634 0 C-N-CA 122.351 2.034 . . . . 10.0 116.399 -168.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 4.9 m -67.36 39.77 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 129.066 2.946 . . . . 10.0 114.792 -173.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -87.06 -76.69 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.708 0 C-N-CA 126.418 1.887 . . . . 10.0 108.766 169.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.46 -30.83 6.14 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 CA-C-N 122.952 2.09 . . . . 10.0 109.66 168.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -65.87 1.43 1.38 Allowed 'General case' 0 C--N 1.349 0.581 0 C-N-CA 125.657 1.583 . . . . 10.0 114.612 170.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -56.84 -36.27 69.8 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.188 1.181 . . . . 10.0 114.188 -177.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -78.37 -177.89 5.46 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 123.251 1.5 . . . . 10.0 114.157 -168.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -54.78 -0.86 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 128.954 2.901 . . . . 10.0 114.955 -174.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' GLN . . . . . 0.508 ' NE2' HG23 ' B' ' 63' ' ' THR . 2.3 pp0? -58.03 -27.86 63.94 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 120.5 1.5 . . . . 10.0 112.17 169.426 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.426 ' HA ' HG21 ' B' ' 63' ' ' THR . 2.5 t -67.97 -54.68 20.71 Favored 'Isoleucine or valine' 0 C--N 1.347 0.457 0 N-CA-C 107.973 -1.121 . . . . 10.0 107.973 170.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.407 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 0.4 OUTLIER -59.35 -37.05 76.86 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.58 1.152 . . . . 10.0 112.854 -175.06 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -63.71 -32.59 74.12 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.481 1.913 . . . . 10.0 113.768 175.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 13.5 mt -90.03 -41.92 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 119.537 1.062 . . . . 10.0 109.342 174.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 8.2 mt -39.81 -58.38 1.37 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.378 2.271 . . . . 10.0 112.034 173.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -11.13 46.11 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.87 1.433 . . . . 10.0 114.87 -173.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 52.4 p -78.85 -9.95 59.64 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 124.601 1.16 . . . . 10.0 113.617 173.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -125.39 85.34 58.64 Favored Pre-proline 0 CA--C 1.535 0.397 0 C-N-CA 123.812 0.845 . . . . 10.0 108.751 -172.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -50.07 -52.12 9.56 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 123.581 2.854 . . . . 10.0 114.631 -169.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.414 ' CG ' HD13 ' B' ' 52' ' ' ILE . 0.0 OUTLIER -64.41 -45.95 85.37 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.035 0.934 . . . . 10.0 112.421 178.684 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.56 -34.46 75.86 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.822 0.849 . . . . 10.0 111.607 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 4.6 ttt -63.51 -46.65 85.12 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.51 1.05 . . . . 10.0 110.601 172.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.83 -43.87 94.93 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.401 -0.812 . . . . 10.0 112.098 174.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.25 -36.37 83.44 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.307 0.643 . . . . 10.0 112.363 176.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.412 ' CE1' ' HD3' ' B' ' 94' ' ' ARG . 68.1 t80 -59.32 -60.56 3.67 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 124.737 1.215 . . . . 10.0 108.444 169.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 91.8 mt -51.6 -47.12 37.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 118.837 0.744 . . . . 10.0 110.566 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -61.4 -60.25 4.01 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.097 0.959 . . . . 10.0 113.094 177.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -66.02 -39.98 90.67 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 117.57 -1.205 . . . . 10.0 110.143 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' ARG . . . . . 0.412 ' HD3' ' CE1' ' B' ' 90' ' ' PHE . 12.0 mmm180 -51.04 -49.31 60.79 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 120.647 1.567 . . . . 10.0 111.105 172.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.8 m -63.13 -44.68 94.9 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 118.575 -0.726 . . . . 10.0 111.773 175.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.72 87.72 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.299 1.439 . . . . 10.0 113.099 176.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 14.9 tptp -50.49 -57.45 8.05 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.625 1.97 . . . . 10.0 107.486 169.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -57.74 -57.5 12.46 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 117.344 -1.312 . . . . 10.0 113.348 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 31.3 m -58.59 -20.94 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 CA-C-N 121.013 1.733 . . . . 10.0 113.787 -170.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.3 -6.9 54.59 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.82 1.415 . . . . 10.0 114.82 176.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.83 -30.58 2.74 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 120.002 1.274 . . . . 10.0 113.203 177.389 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -134.89 82.59 43.06 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 129.475 3.11 . . . . 10.0 107.69 168.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -54.06 -16.08 8.69 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 124.117 3.212 . . . . 10.0 116.555 177.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 128.06 -59.92 0.67 Allowed Glycine 0 C--N 1.342 0.902 0 C-N-CA 125.565 1.555 . . . . 10.0 111.487 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -8.15 54.58 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.39 1.076 . . . . 10.0 112.675 169.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.258 1.506 0 C-N-CA 130.33 3.452 . . . . 10.0 107.044 170.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.477 ' HA ' ' HB2' ' B' ' 51' ' ' SER . 3.4 tp10 . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 112.948 0.721 . . . . 10.0 112.948 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -110.59 11.53 30.4 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 125.279 1.419 . . . . 10.0 112.589 168.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 62.78 -31.1 0.09 Allowed 'General case' 0 C--N 1.352 0.709 0 C-N-CA 130.042 3.337 . . . . 10.0 115.128 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.9 m -67.25 -22.2 65.69 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.067 1.347 . . . . 10.0 112.038 169.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -95.74 -18.79 20.17 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.742 1.617 . . . . 10.0 112.49 174.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -54.86 42.39 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 119.205 0.911 . . . . 10.0 112.485 -177.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -64.26 -39.54 94.14 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 120.26 -0.576 . . . . 10.0 111.92 -177.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.14 85.88 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.666 1.187 . . . . 10.0 112.424 174.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.496 HD22 ' C ' ' A' ' 9' ' ' LEU 0.37 0.0 OUTLIER -73.04 -33.28 65.6 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.631 1.105 . . . . 10.0 111.088 -178.187 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.8 tp -61.87 -47.2 86.08 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.072 1.349 . . . . 10.0 111.052 168.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -57.53 -53.37 58.93 Favored 'General case' 0 C--N 1.345 0.379 0 N-CA-C 112.791 0.663 . . . . 10.0 112.791 176.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -62.32 -32.9 73.73 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 118.717 -0.658 . . . . 10.0 112.584 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tp -75.13 -43.16 54.2 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.775 0.716 . . . . 10.0 111.727 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -71.97 -28.59 63.53 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 119.965 1.257 . . . . 10.0 111.735 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.2 m -63.62 -51.4 65.38 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.885 0.874 . . . . 10.0 109.982 169.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.551 HD22 HD12 ' B' ' 61' ' ' LEU . 4.6 tp -51.91 -48.62 64.1 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.339 -0.839 . . . . 10.0 111.914 174.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.531 HD13 ' HG ' ' B' ' 64' ' ' LEU . 4.5 mm? -64.31 -24.47 67.66 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.362 1.245 . . . . 10.0 114.362 176.075 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -117.17 12.9 14.58 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.502 1.297 . . . . 10.0 114.502 -167.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -53.17 -6.81 0.07 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 131.364 3.866 . . . . 10.0 117.17 -170.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.254 46.4 p 116.28 -17.74 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.633 1 C-N-CA 134.114 4.965 . . . . 10.0 112.766 -178.912 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -63.38 154.74 31.0 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 120.987 1.721 . . . . 10.0 112.99 173.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.49 -2.56 0.86 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 127.679 2.392 . . . . 10.0 112.956 169.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.6 m -51.14 -47.43 62.06 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.938 1.695 . . . . 10.0 115.22 -168.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.24 -24.74 3.74 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 123.788 0.709 . . . . 10.0 112.652 170.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.0 mt -52.36 -36.9 54.86 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 124.609 1.163 . . . . 10.0 112.248 171.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -48.43 -41.96 30.87 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 124.298 1.039 . . . . 10.0 113.028 177.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -68.19 -46.68 70.01 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.458 1.026 . . . . 10.0 111.212 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.406 HD13 ' CG2' ' B' ' 76' ' ' VAL . 25.6 mt -60.68 -35.8 66.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 125.447 1.499 . . . . 10.0 111.299 175.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -67.08 -53.35 31.7 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.168 1.787 . . . . 10.0 110.271 177.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -68.55 -27.25 65.92 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 118.255 -0.878 . . . . 10.0 113.111 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.41 -19.94 63.96 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 119.736 1.153 . . . . 10.0 112.727 169.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.2 mt -110.48 15.85 21.91 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.873 2.069 . . . . 10.0 112.433 170.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.77 9.92 53.6 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 126.651 2.072 . . . . 10.0 114.908 173.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.6 mt -53.52 -44.38 97.55 Favored Pre-proline 0 CA--C 1.548 0.886 0 CA-C-O 117.343 -1.313 . . . . 10.0 113.971 -169.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -56.93 -19.64 32.94 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.241 2.627 . . . . 10.0 115.869 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.17 -39.65 13.42 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 119.076 0.853 . . . . 10.0 111.0 170.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.4 mt -54.86 -30.67 58.37 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.847 0.859 . . . . 10.0 111.686 171.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.8 t -54.55 -60.14 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 126.348 1.859 . . . . 10.0 110.229 169.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -59.79 -41.15 90.52 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.24 1.016 . . . . 10.0 112.43 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -58.09 -19.88 35.5 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 127.485 2.314 . . . . 10.0 113.352 170.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.25 14.73 61.7 Favored Glycine 0 CA--C 1.526 0.761 0 O-C-N 120.855 -1.153 . . . . 10.0 113.162 174.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -66.76 -8.93 31.75 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.651 1.18 . . . . 10.0 113.237 -171.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.81 -24.9 65.35 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.295 1.038 . . . . 10.0 112.238 168.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.8 mt -98.53 -30.71 12.36 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.695 1.198 . . . . 10.0 113.633 -171.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -70.52 149.62 95.55 Favored Pre-proline 0 CA--C 1.543 0.677 0 CA-C-N 118.947 0.794 . . . . 10.0 110.61 170.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -70.96 -34.97 9.8 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 122.337 2.025 . . . . 10.0 111.754 170.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.145 0 C-N-CA 128.015 2.526 . . . . 10.0 112.399 177.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 CA--C 1.534 0.477 0 N-CA-C 110.746 -0.521 . . . . 10.0 110.746 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -121.18 -76.12 0.59 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 117.879 -1.058 . . . . 10.0 111.373 -178.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -41.0 96.06 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.952 1.251 . . . . 10.0 108.723 169.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.477 ' HB2' ' HA ' ' A' ' 1' ' ' GLU . 2.2 t -78.47 106.91 10.74 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 105.595 -2.002 . . . . 10.0 105.595 167.219 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.512 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.8 OUTLIER -89.84 -13.85 9.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-O 120.818 0.342 . . . . 10.0 110.548 -174.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 16.0 p -119.04 13.54 0.07 OUTLIER Pre-proline 0 CA--C 1.549 0.923 0 N-CA-C 117.335 2.346 . . . . 10.0 117.335 -175.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -72.14 -17.12 28.26 Favored 'Trans proline' 0 CA--C 1.548 1.181 0 CA-C-N 124.506 2.645 . . . . 10.0 112.508 -176.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 49.9 p -81.04 -49.14 11.28 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.693 1.197 . . . . 10.0 111.298 169.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.45 -29.07 65.88 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.505 1.522 . . . . 10.0 112.128 171.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 33.4 tp -55.43 -27.68 49.48 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.848 2.059 . . . . 10.0 111.956 169.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.75 -60.41 1.92 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.959 0.904 . . . . 10.0 109.221 168.191 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.47 -47.32 34.01 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 116.894 2.183 . . . . 10.0 116.894 -168.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.1 tp -73.77 -36.86 65.13 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.849 0.749 . . . . 10.0 109.658 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.551 HD12 HD22 ' A' ' 16' ' ' LEU . 21.5 tp -57.2 -55.01 40.25 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 124.43 1.092 . . . . 10.0 111.17 171.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 12.6 ttp85 -55.89 -47.61 77.11 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.987 1.715 . . . . 10.0 111.944 172.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' THR . . . . . 0.401 HG23 HE21 ' B' ' 75' ' ' GLN . 16.1 m -53.5 -55.77 22.64 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.215 1.406 . . . . 10.0 112.533 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.531 ' HG ' HD13 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -75.1 -24.14 58.06 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.223 0.823 . . . . 10.0 113.223 177.771 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -60.58 -42.16 96.14 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.153 0.888 . . . . 10.0 111.082 169.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 9.0 p -68.72 108.31 2.82 Favored Pre-proline 0 CA--C 1.551 1.01 0 N-CA-C 107.738 -1.208 . . . . 10.0 107.738 168.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.39 155.6 45.88 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.127 1.884 . . . . 10.0 116.796 -169.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 4.8 m -55.72 16.95 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 130.856 3.662 . . . . 10.0 118.109 -169.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.1 t -78.08 -86.07 0.02 OUTLIER Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 120.66 1.573 . . . . 10.0 110.756 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -69.84 -14.52 35.93 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 CA-C-N 123.694 2.355 . . . . 10.0 112.206 169.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -78.89 3.49 16.79 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.415 1.886 . . . . 10.0 114.373 173.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -18.4 54.69 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.973 1.709 . . . . 10.0 113.012 169.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -85.77 -170.65 3.2 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.253 1.421 . . . . 10.0 113.513 -170.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -61.35 -7.65 3.18 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 116.285 1.957 . . . . 10.0 116.285 -177.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' GLN . . . . . 0.401 HE21 HG23 ' B' ' 63' ' ' THR . 1.3 pm0 -67.73 -30.02 69.4 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 121.825 2.102 . . . . 10.0 113.234 -171.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.406 ' CG2' HD13 ' A' ' 28' ' ' ILE . 2.9 t -66.9 -52.91 39.35 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 108.585 -0.894 . . . . 10.0 108.585 169.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.405 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 0.5 OUTLIER -61.27 -35.98 78.78 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 121.964 0.888 . . . . 10.0 111.283 -172.003 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -59.88 -38.57 82.6 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.723 1.609 . . . . 10.0 113.615 172.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 17.7 mt -83.76 -39.5 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 119.552 1.069 . . . . 10.0 109.645 177.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 10.6 mt -41.52 -60.22 1.38 Allowed 'General case' 0 C--O 1.24 0.557 0 C-N-CA 127.332 2.253 . . . . 10.0 112.322 172.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . 0.28 0.1 OUTLIER -66.27 -7.99 22.02 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.259 1.578 . . . . 10.0 115.259 -178.127 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 32.5 p -84.29 -8.62 58.97 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.903 1.445 . . . . 10.0 114.903 171.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.45 72.73 57.48 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 123.294 0.638 . . . . 10.0 111.1 175.033 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -49.05 -31.06 19.8 Favored 'Trans proline' 0 N--CA 1.456 -0.701 1 C-N-CA 125.373 4.049 . . . . 10.0 117.217 -175.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.42 -47.19 70.97 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.405 1.457 . . . . 10.0 111.384 174.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.8 -38.21 87.26 Favored 'General case' 0 C--O 1.217 -0.658 0 C-N-CA 124.003 0.921 . . . . 10.0 109.869 170.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 4.9 ttt -60.67 -43.7 97.34 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.389 -0.82 . . . . 10.0 112.809 177.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.61 93.03 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 122.066 -0.396 . . . . 10.0 111.605 172.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.34 -37.02 84.05 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.334 0.864 . . . . 10.0 113.334 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -58.49 -59.51 5.24 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 126.514 1.925 . . . . 10.0 107.478 169.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 65.2 mt -49.81 -52.52 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 CA-C-N 118.503 0.592 . . . . 10.0 110.416 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -60.65 -60.53 3.65 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.757 1.223 . . . . 10.0 112.409 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -30.0 64.65 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 117.016 -1.469 . . . . 10.0 111.165 -173.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -62.62 -44.14 97.04 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 121.699 2.045 . . . . 10.0 110.514 169.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 4.2 m -59.89 -46.02 90.65 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 122.058 -0.401 . . . . 10.0 110.813 175.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.87 87.61 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.889 0.876 . . . . 10.0 112.057 173.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -51.51 26.64 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.991 1.717 . . . . 10.0 110.212 171.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -59.74 -60.08 4.4 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 117.548 -1.215 . . . . 10.0 112.422 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 34.7 m -57.47 -28.71 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 119.834 1.197 . . . . 10.0 112.894 -173.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.32 1.62 56.36 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.8 2.148 . . . . 10.0 116.8 174.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -146.84 -42.12 0.19 Allowed 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 120.396 1.453 . . . . 10.0 114.154 -169.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -142.76 79.72 14.68 Favored Pre-proline 0 CA--C 1.546 0.825 0 C-N-CA 127.557 2.343 . . . . 10.0 107.558 171.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -73.81 171.38 17.97 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 122.868 2.379 . . . . 10.0 111.927 -175.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -111.7 -126.49 4.82 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 109.326 -1.51 . . . . 10.0 109.326 172.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 3.0 ptm -78.17 -0.22 27.53 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 118.339 1.07 . . . . 10.0 111.135 168.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.098 0 C-N-CA 128.447 2.699 . . . . 10.0 107.276 169.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 113.673 0.99 . . . . 10.0 113.673 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.43 19.28 1.47 Allowed Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.2 1.381 . . . . 10.0 115.642 -174.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 64.5 -49.95 0.31 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 129.294 3.038 . . . . 10.0 113.127 -171.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.1 m -61.62 -35.86 79.1 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.565 1.946 . . . . 10.0 113.285 178.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 37.4 p30 -76.82 -24.9 52.75 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.122 1.369 . . . . 10.0 112.868 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -52.82 -33.33 48.74 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 117.92 -1.038 . . . . 10.0 112.869 -177.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.99 -39.97 96.36 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.986 1.266 . . . . 10.0 112.298 176.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.46 -40.86 73.45 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.909 0.483 . . . . 10.0 111.64 174.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.9 mt -64.2 -41.55 97.02 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 122.97 0.508 . . . . 10.0 111.794 175.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.13 -48.69 80.66 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 128.376 2.671 . . . . 10.0 110.295 170.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.43 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 51.3 m-20 -57.97 -54.44 46.96 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 118.678 -0.677 . . . . 10.0 112.743 176.284 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -63.79 -30.22 71.34 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.266 0.939 . . . . 10.0 113.444 177.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.1 tp -75.7 -41.94 52.3 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 118.502 0.592 . . . . 10.0 112.338 176.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.43 ' CD2' ' HA ' ' A' ' 11' ' ' ASP . 1.8 p80 -72.12 -28.15 63.09 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.561 -1.337 . . . . 10.0 110.982 175.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.5 m -65.82 -42.59 90.41 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.909 0.777 . . . . 10.0 110.762 169.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.3 tp -56.15 -49.56 73.62 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 117.598 -1.192 . . . . 10.0 111.188 172.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.783 HD13 HD22 ' B' ' 64' ' ' LEU . 3.0 mm? -64.72 -23.79 67.36 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-N 120.966 1.712 . . . . 10.0 113.562 173.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.424 ' CB ' HE21 ' B' ' 93' ' ' GLN . 70.6 m -95.0 -10.56 30.56 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 115.361 1.615 . . . . 10.0 115.361 -173.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -41.01 -16.98 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 130.941 3.696 . . . . 10.0 117.99 -169.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.264 57.8 p 120.17 -14.99 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.699 1 C-N-CA 135.691 5.596 . . . . 10.0 111.906 169.661 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -56.45 150.65 14.68 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-O 123.464 1.602 . . . . 10.0 112.544 173.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -142.92 -0.39 1.16 Allowed 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 128.026 2.531 . . . . 10.0 112.085 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.6 m -51.02 -57.56 8.31 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.283 1.401 . . . . 10.0 113.473 -169.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.45 -23.48 6.28 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.99 1.281 . . . . 10.0 110.518 168.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.529 HD11 HD21 ' B' ' 64' ' ' LEU . 4.9 mt -50.23 -33.27 19.01 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-O 117.662 -1.161 . . . . 10.0 113.917 170.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -48.8 -56.11 9.62 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.531 1.132 . . . . 10.0 112.231 169.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -52.56 -46.01 66.66 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.333 1.453 . . . . 10.0 112.15 175.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.5 mt -62.93 -44.47 99.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 124.374 1.069 . . . . 10.0 110.168 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -62.14 -46.29 89.67 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.37 1.068 . . . . 10.0 110.221 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -61.08 -43.67 98.53 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.157 0.889 . . . . 10.0 111.407 174.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.69 -19.7 41.92 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.782 1.03 . . . . 10.0 113.782 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.5 mt -113.32 15.77 19.16 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.614 1.166 . . . . 10.0 113.162 171.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.74 11.56 66.07 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.7 1.619 . . . . 10.0 114.703 174.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.2 mt -57.24 -44.68 99.8 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 124.693 1.197 . . . . 10.0 113.003 -169.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.27 -26.44 82.62 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.058 1.838 . . . . 10.0 115.444 171.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -77.25 -36.83 54.15 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.231 -0.918 . . . . 10.0 110.861 171.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.03 -34.81 72.33 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.269 0.941 . . . . 10.0 111.18 169.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.6 t -68.06 -47.16 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 124.793 1.237 . . . . 10.0 111.611 169.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -55.66 -45.53 77.69 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 119.792 1.178 . . . . 10.0 112.561 174.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -64.12 -19.66 65.42 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.642 1.177 . . . . 10.0 113.132 171.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.18 4.76 90.43 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.71 1.624 . . . . 10.0 114.243 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -1.6 11.37 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.125 1.158 . . . . 10.0 114.125 -170.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.18 -29.63 5.81 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.709 1.204 . . . . 10.0 112.462 169.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.5 mt -75.09 -16.48 60.56 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.394 1.878 . . . . 10.0 114.748 175.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -72.27 151.01 92.15 Favored Pre-proline 0 N--CA 1.473 0.704 0 CA-C-N 120.105 1.321 . . . . 10.0 111.125 169.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -69.73 -7.95 22.35 Favored 'Trans proline' 0 CA--C 1.551 1.351 0 C-N-CA 122.847 2.365 . . . . 10.0 112.781 168.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.94 0 C-N-CA 128.006 2.522 . . . . 10.0 111.596 -169.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . 0.257 1.6 Cg_endo . . . . . 0 N--CA 1.487 1.113 0 N-CA-C 109.243 -1.099 . . . . 10.0 109.243 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -161.7 -79.45 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.918 1.687 . . . . 10.0 110.805 -173.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 45.1 ptt85 -63.78 -49.81 71.47 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 119.582 1.083 . . . . 10.0 109.349 169.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 6.0 p -105.21 116.31 31.73 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 128.969 2.908 . . . . 10.0 104.236 169.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.82 -20.67 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-O 119.206 -0.426 . . . . 10.0 111.145 -170.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 86.5 p -105.13 -9.43 0.12 Allowed Pre-proline 0 C--O 1.212 -0.876 0 N-CA-C 119.47 3.137 . . . . 10.0 119.47 -174.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -60.83 -22.44 73.79 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 CA-C-N 126.313 3.29 . . . . 10.0 115.774 -168.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 17.2 p -80.61 -57.16 3.7 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.02 0.528 . . . . 10.0 110.806 169.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.18 -27.48 63.88 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 125.233 1.413 . . . . 10.0 112.819 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 44.4 tp -58.63 -33.34 69.93 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 128.686 2.794 . . . . 10.0 111.639 171.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -90.27 -59.73 2.11 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.021 0.928 . . . . 10.0 109.918 169.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.33 -41.53 24.64 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 117.922 2.564 . . . . 10.0 117.922 -168.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 tp -72.17 -36.07 69.19 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 120.406 1.457 . . . . 10.0 108.325 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.68 -58.8 6.11 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.005 1.322 . . . . 10.0 110.289 169.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 20.5 ttp85 -47.69 -49.62 27.29 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 126.345 1.858 . . . . 10.0 112.609 170.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' THR . . . . . 0.5 HG21 ' HA ' ' B' ' 76' ' ' VAL . 1.0 OUTLIER -60.96 -19.85 61.5 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 127.693 2.397 . . . . 10.0 115.319 -177.389 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.783 HD22 HD13 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -117.88 -17.2 9.83 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.278 1.214 . . . . 10.0 114.278 170.271 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -59.07 -37.32 76.8 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 107.649 -1.241 . . . . 10.0 107.649 167.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 7.8 p -79.3 110.45 15.08 Favored Pre-proline 0 CA--C 1.551 1.017 0 N-CA-C 102.098 -3.297 . . . . 10.0 102.098 165.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -67.76 156.42 66.06 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.237 1.958 . . . . 10.0 115.968 -167.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 24.8 p -58.67 -16.15 14.99 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 115.802 1.779 . . . . 10.0 115.802 -168.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.7 t -47.74 -68.17 0.34 Allowed Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 125.545 1.538 . . . . 10.0 113.13 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -81.03 -20.66 7.29 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.132 1.888 . . . . 10.0 111.84 168.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -82.63 69.79 9.48 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.357 1.463 . . . . 10.0 112.323 -173.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -55.95 169.47 0.37 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.511 2.324 . . . . 10.0 114.522 169.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -39.76 70.23 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 115.693 1.738 . . . . 10.0 115.693 -170.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 11.0 pm0 -50.05 -53.02 29.79 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 120.219 1.372 . . . . 10.0 114.068 -169.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' GLN . . . . . 0.424 ' NE2' HG23 ' B' ' 63' ' ' THR . 1.9 pp0? -72.3 -33.17 67.21 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 117.819 -1.086 . . . . 10.0 113.782 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.5 ' HA ' HG21 ' B' ' 63' ' ' THR . 2.6 t -70.24 -54.4 18.85 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 CA-C-N 119.829 1.195 . . . . 10.0 107.966 176.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.97 -36.21 76.63 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.992 1.317 . . . . 10.0 110.034 -173.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -61.42 -34.98 76.29 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 114.431 1.271 . . . . 10.0 114.431 174.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 18.5 mt -90.32 -39.11 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 119.577 1.081 . . . . 10.0 110.584 178.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.3 mt -40.57 -50.79 2.99 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 128.336 2.655 . . . . 10.0 111.966 171.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 35.1 pttt -58.95 -23.66 61.77 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.809 1.04 . . . . 10.0 113.809 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 57.8 p -83.31 -11.86 57.26 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 114.552 1.316 . . . . 10.0 114.552 -173.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -123.38 99.52 39.81 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 105.927 -1.879 . . . . 10.0 105.927 169.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.89 -30.18 17.38 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 123.317 2.678 . . . . 10.0 111.977 -169.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -67.0 -46.44 74.54 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.202 1.001 . . . . 10.0 110.694 172.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.91 -37.87 88.99 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 124.395 1.078 . . . . 10.0 110.082 174.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -52.21 66.44 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.506 1.048 . . . . 10.0 111.338 174.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.03 -43.63 98.6 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.107 0.41 . . . . 10.0 112.107 174.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.39 90.9 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.139 -0.975 . . . . 10.0 112.46 175.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -57.55 -57.55 12.19 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 124.784 1.233 . . . . 10.0 108.276 170.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 95.5 mt -52.8 -58.81 2.16 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 O-C-N 123.393 0.433 . . . . 10.0 110.766 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.54 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.8 OUTLIER -60.84 -53.75 53.56 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 121.478 -0.764 . . . . 10.0 112.769 -176.49 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.424 HE21 ' CB ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -70.7 -38.39 73.66 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 116.018 -1.944 . . . . 10.0 110.746 -175.806 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -56.69 -42.45 79.09 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 122.604 2.457 . . . . 10.0 111.185 170.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 1.9 m -56.93 -44.97 83.02 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.006 0.523 . . . . 10.0 111.859 175.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.63 90.33 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.926 0.89 . . . . 10.0 113.285 172.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -42.96 61.03 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.11 1.764 . . . . 10.0 110.91 173.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -60.69 -60.72 3.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 118.633 -0.699 . . . . 10.0 112.069 173.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 34.4 m -62.88 -19.81 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 CA-C-N 119.7 1.136 . . . . 10.0 113.408 -177.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.26 -27.69 20.41 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 116.046 1.869 . . . . 10.0 116.046 173.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -136.17 -15.95 1.68 Allowed 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 120.328 1.422 . . . . 10.0 114.783 -170.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -144.86 67.43 13.73 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 125.522 1.529 . . . . 10.0 110.105 171.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -83.62 -3.65 10.67 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.972 2.448 . . . . 10.0 114.344 -173.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.18 74.48 0.52 Allowed Glycine 0 C--N 1.341 0.814 0 N-CA-C 108.194 -1.963 . . . . 10.0 108.194 169.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 14.6 ptp -43.71 112.19 0.36 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.796 2.039 . . . . 10.0 112.667 -169.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.035 0 C-N-CA 125.154 1.382 . . . . 10.0 110.648 -169.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 113.16 0.8 . . . . 10.0 113.16 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.92 9.15 62.72 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-N 119.89 1.223 . . . . 10.0 114.45 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -143.19 -66.56 0.37 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.337 1.455 . . . . 10.0 110.519 -178.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.6 m -70.15 -17.45 63.18 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 127.452 2.301 . . . . 10.0 112.154 -174.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.09 -10.97 59.74 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 117.702 -1.142 . . . . 10.0 112.517 172.041 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -54.92 -60.31 3.54 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.358 1.435 . . . . 10.0 111.989 -177.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.01 -40.91 95.59 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 118.977 0.808 . . . . 10.0 111.991 -169.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.98 -42.48 94.52 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 117.855 -1.069 . . . . 10.0 112.151 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.557 HD22 ' C ' ' A' ' 9' ' ' LEU 0.328 0.0 OUTLIER -74.73 -36.6 62.64 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 120.375 1.443 . . . . 10.0 111.262 -179.268 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.9 tp -56.05 -49.24 74.29 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 127.233 2.213 . . . . 10.0 109.875 170.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -56.23 -55.66 30.53 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 123.579 0.752 . . . . 10.0 112.141 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -65.42 -30.87 71.72 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.761 -0.587 . . . . 10.0 112.525 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.3 tp -76.77 -40.96 46.53 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-O 117.533 -1.223 . . . . 10.0 111.775 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -71.11 -25.5 62.62 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.593 1.542 . . . . 10.0 111.543 174.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.4 m -66.3 -49.89 65.52 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 117.94 -1.029 . . . . 10.0 110.582 169.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 tp -52.32 -53.83 39.39 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.407 1.003 . . . . 10.0 110.338 169.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.422 HD12 HD22 ' B' ' 64' ' ' LEU . 0.2 OUTLIER -66.33 -4.03 7.16 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 115.544 1.683 . . . . 10.0 115.544 -175.605 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.4 t -143.83 24.2 1.69 Allowed 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.972 1.101 . . . . 10.0 113.972 175.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -52.6 -10.31 0.15 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 128.59 2.756 . . . . 10.0 118.23 -169.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.278 39.3 p 124.92 -17.51 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.926 1 C-N-CA 133.888 4.875 . . . . 10.0 112.055 176.861 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -65.53 160.53 22.13 Favored 'General case' 0 CA--C 1.553 1.061 0 CA-C-O 122.88 1.324 . . . . 10.0 112.057 169.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.02 -8.63 0.61 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.678 2.391 . . . . 10.0 113.985 168.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.7 m -49.3 -41.87 39.53 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 128.546 2.738 . . . . 10.0 115.693 -167.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.13 -3.12 8.27 Favored Glycine 0 N--CA 1.468 0.767 0 C-N-CA 124.249 0.928 . . . . 10.0 113.352 169.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 mp -70.93 -22.59 62.22 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.236 -1.156 . . . . 10.0 109.402 169.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.17 -52.67 2.57 Favored 'General case' 0 C--N 1.346 0.448 0 C-N-CA 127.77 2.428 . . . . 10.0 114.024 175.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.73 -50.91 70.79 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.969 0.804 . . . . 10.0 112.176 176.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 mm -62.33 -40.22 87.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 124.13 0.972 . . . . 10.0 109.658 -176.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -78.07 -31.25 50.09 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 117.716 -1.135 . . . . 10.0 113.464 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.5 ptt-85 -70.44 -37.51 74.38 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.963 1.256 . . . . 10.0 111.017 169.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.47 -20.11 52.77 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.877 1.065 . . . . 10.0 113.877 172.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.8 mt -111.38 9.49 21.5 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.927 1.691 . . . . 10.0 112.655 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.35 12.69 58.96 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.754 1.169 . . . . 10.0 115.239 176.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.6 mt -53.3 -47.52 95.78 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-O 117.337 -1.316 . . . . 10.0 112.759 -171.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -55.28 -19.15 20.63 Favored 'Trans proline' 0 CA--C 1.545 1.047 0 C-N-CA 123.808 3.005 . . . . 10.0 115.928 172.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -90.64 -36.52 14.34 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 120.264 1.393 . . . . 10.0 111.694 169.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.5 mt -58.13 -29.11 65.27 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.009 -1.057 . . . . 10.0 111.37 169.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.68 -54.39 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 126.452 1.901 . . . . 10.0 110.162 169.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -59.29 -40.36 85.9 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.227 1.011 . . . . 10.0 112.087 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -69.22 -20.04 63.96 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.548 1.139 . . . . 10.0 113.517 173.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.56 17.6 72.94 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 124.208 0.908 . . . . 10.0 114.639 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -60.71 -19.44 58.71 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 118.841 1.32 . . . . 10.0 113.45 -171.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.78 -31.97 71.32 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.871 1.668 . . . . 10.0 113.369 169.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.9 mt -76.35 -19.42 58.21 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.592 1.157 . . . . 10.0 112.807 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -83.8 123.51 75.96 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-O 117.85 -1.072 . . . . 10.0 109.566 169.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.19 -1.54 0.93 Allowed 'Trans proline' 0 CA--C 1.548 1.181 0 C-N-CA 124.322 3.348 . . . . 10.0 115.159 169.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' C ' ' HZ1' ' B' ' 92' ' ' LYS . 1.8 ttpp . . . . . 0 C--O 1.252 1.215 0 C-N-CA 129.49 3.116 . . . . 10.0 110.185 -171.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo . . . . . 0 CA--C 1.542 0.91 0 N-CA-C 105.016 -2.725 . . . . 10.0 105.016 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -156.54 -74.15 0.1 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.172 1.389 . . . . 10.0 109.793 -167.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -81.23 -56.21 4.22 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 106.313 -1.736 . . . . 10.0 106.313 168.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 96.8 p -81.11 120.52 24.94 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 105.498 -2.038 . . . . 10.0 105.498 166.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.42 ' H ' HD12 ' B' ' 52' ' ' ILE . 2.2 mp -90.15 -28.67 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.367 -169.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 6.8 p -100.07 11.9 0.05 OUTLIER Pre-proline 0 CA--C 1.551 1.0 0 N-CA-C 118.043 2.609 . . . . 10.0 118.043 -176.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -63.63 -13.64 37.84 Favored 'Trans proline' 0 CA--C 1.547 1.15 0 CA-C-N 126.933 3.512 . . . . 10.0 113.685 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 15.0 p -83.74 -51.89 6.87 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.766 1.627 . . . . 10.0 110.948 168.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.73 -24.85 58.99 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 125.256 1.422 . . . . 10.0 113.079 170.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 42.0 tp -57.57 -25.2 59.64 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.928 2.091 . . . . 10.0 111.826 169.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -93.44 -57.74 2.5 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.891 0.877 . . . . 10.0 109.798 169.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -81.62 -39.27 24.73 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 117.186 2.291 . . . . 10.0 117.186 -169.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.66 -32.88 64.22 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.591 1.087 . . . . 10.0 109.608 173.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 tp -58.11 -59.59 5.05 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.538 -0.744 . . . . 10.0 110.88 171.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -34.56 72.23 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.816 1.189 . . . . 10.0 112.654 175.341 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' THR . . . . . 0.482 HG23 ' NE2' ' B' ' 75' ' ' GLN . 5.5 m -57.81 -29.88 65.27 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 127.598 2.359 . . . . 10.0 115.956 177.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.422 HD22 HD12 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -112.13 -19.59 12.23 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.517 0.932 . . . . 10.0 113.517 173.874 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -63.45 -36.92 85.33 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.423 -0.955 . . . . 10.0 108.423 168.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 8.3 p -70.87 115.86 40.27 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 103.989 -2.597 . . . . 10.0 103.989 167.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -58.85 146.3 93.63 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 N-CA-C 117.763 2.178 . . . . 10.0 117.763 -168.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 99.8 p -53.37 -28.14 27.61 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 127.753 2.421 . . . . 10.0 114.204 -169.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.7 t -40.85 -72.99 0.1 OUTLIER Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 126.432 1.893 . . . . 10.0 114.7 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -79.1 -11.44 14.85 Favored 'Trans proline' 0 CA--C 1.546 1.078 0 C-N-CA 122.856 2.371 . . . . 10.0 113.487 169.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -89.59 -0.95 57.86 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.642 1.349 . . . . 10.0 114.642 -172.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -15.09 56.02 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 128.755 2.822 . . . . 10.0 115.003 175.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -64.37 172.22 2.68 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 125.195 1.398 . . . . 10.0 113.237 174.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -48.94 -19.05 0.34 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 127.909 2.484 . . . . 10.0 116.682 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' GLN . . . . . 0.482 ' NE2' HG23 ' B' ' 63' ' ' THR . 1.3 pp0? -59.59 -32.39 70.34 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 120.41 1.459 . . . . 10.0 114.278 -176.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.32 -53.49 32.17 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 N-CA-C 107.328 -1.36 . . . . 10.0 107.328 174.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.63 -37.25 83.3 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.475 1.11 . . . . 10.0 110.405 -171.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -61.93 -34.35 75.94 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.69 1.596 . . . . 10.0 113.758 175.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.6 mt -90.61 -38.04 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 119.409 1.004 . . . . 10.0 110.68 176.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.6 mt -42.91 -49.23 5.92 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 128.248 2.619 . . . . 10.0 111.794 173.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -59.94 -14.15 14.42 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.325 1.602 . . . . 10.0 115.325 -175.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 89.8 p -71.77 -56.92 4.87 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.066 1.346 . . . . 10.0 113.75 -175.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -90.09 107.96 22.97 Favored Pre-proline 0 CA--C 1.544 0.719 0 CA-C-N 119.17 0.895 . . . . 10.0 109.579 172.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -66.05 -32.45 43.93 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 122.502 2.135 . . . . 10.0 112.265 -176.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -66.25 -45.96 78.78 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 123.878 0.871 . . . . 10.0 109.997 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.5 -42.63 96.74 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.831 0.852 . . . . 10.0 110.806 172.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -49.71 76.36 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.734 0.697 . . . . 10.0 111.448 177.227 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.36 -42.1 99.13 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.387 -0.82 . . . . 10.0 112.052 174.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.26 -42.43 99.33 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.489 1.116 . . . . 10.0 112.543 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.418 ' CD1' ' HG ' ' A' ' 17' ' ' LEU . 34.8 t80 -55.27 -54.59 41.56 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 124.257 1.023 . . . . 10.0 110.126 171.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 96.3 mt -53.39 -56.03 10.24 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 123.564 0.746 . . . . 10.0 110.343 176.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.427 ' HZ1' ' C ' ' A' ' 47' ' ' LYS . 16.0 tppt? -57.51 -57.43 12.74 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.833 0.853 . . . . 10.0 112.399 -179.158 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -39.72 92.3 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 117.649 -1.167 . . . . 10.0 111.246 -175.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 38.5 mmm-85 -58.61 -44.3 89.89 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.744 1.611 . . . . 10.0 111.882 171.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -61.04 -42.47 98.53 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 118.611 -0.709 . . . . 10.0 110.493 175.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.77 -53.51 57.11 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.563 1.145 . . . . 10.0 113.15 174.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -45.63 -49.65 14.09 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 127.361 2.264 . . . . 10.0 110.067 170.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -63.44 -59.22 4.95 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 117.132 -1.414 . . . . 10.0 113.613 174.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 33.5 m -61.48 -23.06 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 121.391 1.905 . . . . 10.0 113.117 -173.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.64 5.96 33.37 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.287 1.217 . . . . 10.0 114.287 171.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -129.4 -39.51 1.49 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.715 1.606 . . . . 10.0 111.926 177.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -140.66 90.12 9.97 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 130.401 3.48 . . . . 10.0 106.744 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . 0.255 18.1 Cg_endo -56.6 -53.8 4.68 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.349 2.699 . . . . 10.0 114.852 -168.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 78.5 -53.75 3.97 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 120.848 1.658 . . . . 10.0 112.434 172.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -8.68 49.87 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.953 1.301 . . . . 10.0 111.682 168.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.253 1.276 0 C-N-CA 131.311 3.844 . . . . 10.0 107.719 171.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 119.063 -0.494 . . . . 10.0 110.397 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -63.1 -56.21 18.82 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 118.74 -0.647 . . . . 10.0 110.774 173.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.42 85.44 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.304 -0.855 . . . . 10.0 112.777 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.511 HD22 ' C ' ' A' ' 9' ' ' LEU 0.337 0.0 OUTLIER -77.21 -32.43 55.95 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 119.297 0.953 . . . . 10.0 111.733 178.535 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.3 tp -60.82 -48.68 80.69 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.822 1.249 . . . . 10.0 110.706 169.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -55.4 -54.15 47.25 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.923 0.889 . . . . 10.0 112.53 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -65.28 -32.64 74.4 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.902 -0.57 . . . . 10.0 111.443 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 tp -73.86 -42.48 60.73 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-O 117.621 -1.18 . . . . 10.0 111.369 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -72.32 -25.78 61.69 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.459 1.482 . . . . 10.0 111.37 175.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.4 m -65.22 -50.66 65.01 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-O 118.201 -0.904 . . . . 10.0 110.567 170.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.442 HD22 HD12 ' B' ' 61' ' ' LEU . 4.2 tp -51.2 -57.93 7.48 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.947 1.248 . . . . 10.0 110.352 170.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.619 HD12 HD22 ' B' ' 64' ' ' LEU . 2.8 tp -70.81 0.17 7.73 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.883 1.273 . . . . 10.0 113.894 -171.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.446 ' C ' ' H ' ' A' ' 20' ' ' THR . 52.2 p -143.9 21.85 1.77 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.271 1.212 . . . . 10.0 114.271 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -57.42 4.72 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 129.591 3.156 . . . . 10.0 116.66 -173.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.446 ' H ' ' C ' ' A' ' 18' ' ' SER . 5.2 p 130.32 -85.04 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.415 1 C-N-CA 136.447 5.899 . . . . 10.0 103.096 -169.463 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -151.35 -173.77 4.61 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.789 1.177 . . . . 10.0 112.382 -176.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.24 139.52 9.59 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 128.339 2.656 . . . . 10.0 106.756 168.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.0 t -55.53 -19.82 11.1 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 118.266 2.691 . . . . 10.0 118.266 -168.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.06 -14.59 24.21 Favored Glycine 0 CA--C 1.533 1.213 0 CA-C-N 119.843 1.201 . . . . 10.0 113.83 169.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 tp -53.71 -26.04 21.23 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 126.313 1.845 . . . . 10.0 114.028 170.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -57.25 -46.19 83.25 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.671 0.668 . . . . 10.0 111.589 169.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -65.39 -46.98 77.93 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 118.457 -0.782 . . . . 10.0 110.535 175.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.2 mm -57.15 -38.7 62.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 118.634 0.652 . . . . 10.0 110.825 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -65.99 -54.14 29.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.153 0.981 . . . . 10.0 111.291 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.1 ptt85 -66.25 -30.59 71.06 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.079 -1.013 . . . . 10.0 113.635 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.54 -19.92 62.67 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.761 1.164 . . . . 10.0 113.088 169.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.6 mt -110.38 13.13 22.92 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.417 1.887 . . . . 10.0 112.142 174.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.54 12.74 41.66 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.557 1.551 . . . . 10.0 115.514 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.282 42.1 mt -53.23 -48.0 93.92 Favored Pre-proline 0 N--CA 1.468 0.458 0 CA-C-O 117.052 -1.451 . . . . 10.0 113.703 -169.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -56.35 -20.35 32.09 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.998 2.465 . . . . 10.0 116.248 172.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -83.88 -45.83 12.8 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.313 1.045 . . . . 10.0 109.48 169.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.0 mt -54.41 -27.24 35.52 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.55 1.14 . . . . 10.0 113.142 175.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 N--CA 1.478 0.941 0 C-N-CA 125.482 1.513 . . . . 10.0 110.745 169.687 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.456 0 N-CA-C 103.56 -2.756 . . . . 10.0 103.56 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.479 ' H ' HD12 ' B' ' 52' ' ' ILE . 2.5 mp -90.52 -27.13 5.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 123.705 0.802 . . . . 10.0 110.643 -171.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 2.3 p -101.54 12.45 0.06 OUTLIER Pre-proline 0 CA--C 1.553 1.096 0 C-N-CA 127.561 2.344 . . . . 10.0 116.999 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -68.7 -13.26 36.69 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 124.046 3.164 . . . . 10.0 113.148 -172.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 12.8 p -86.4 -49.39 7.67 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.983 1.713 . . . . 10.0 110.971 169.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.24 -24.73 56.67 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.921 1.689 . . . . 10.0 112.068 170.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 48.7 tp -54.84 -30.08 56.66 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 125.652 1.581 . . . . 10.0 111.108 169.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -90.91 -58.77 2.36 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 169.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.2 -37.68 45.0 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 118.43 2.752 . . . . 10.0 118.43 -168.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.9 tp -76.08 -34.16 59.54 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.787 1.63 . . . . 10.0 110.453 173.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.442 HD12 HD22 ' A' ' 16' ' ' LEU . 19.6 tp -58.79 -59.64 5.1 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.953 0.901 . . . . 10.0 110.183 171.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -27.61 69.52 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.848 1.203 . . . . 10.0 112.492 176.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 17.8 m -62.98 -21.3 66.03 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 114.818 1.414 . . . . 10.0 114.818 172.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.619 HD22 HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -117.51 -22.04 8.33 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 113.813 1.042 . . . . 10.0 113.813 171.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -63.52 -41.24 98.5 Favored 'General case' 0 C--N 1.345 0.385 0 N-CA-C 108.255 -1.017 . . . . 10.0 108.255 168.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 67.1 p -80.35 111.82 25.72 Favored Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 102.959 -2.978 . . . . 10.0 102.959 166.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -52.16 150.68 18.68 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.437 2.091 . . . . 10.0 116.967 -168.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 23.8 m -61.83 23.69 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.752 2.021 . . . . 10.0 115.854 174.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -90.09 -68.12 0.11 Allowed Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 124.805 1.242 . . . . 10.0 107.707 168.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.16 -25.28 26.93 Favored 'Trans proline' 0 C--N 1.357 0.975 0 CA-C-N 121.583 1.601 . . . . 10.0 110.397 168.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -90.48 24.58 2.56 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.845 1.658 . . . . 10.0 114.635 169.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -64.91 -20.08 66.26 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 115.236 1.569 . . . . 10.0 115.236 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.448 ' NE2' ' H ' ' B' ' 73' ' ' GLN . 0.0 OUTLIER -79.85 172.86 13.22 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 123.105 1.431 . . . . 10.0 113.052 -170.506 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -55.72 1.5 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 128.609 2.763 . . . . 10.0 114.412 170.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.7 -23.99 65.3 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 120.664 1.574 . . . . 10.0 112.332 170.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.38 -54.9 19.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 N-CA-C 106.902 -1.518 . . . . 10.0 106.902 169.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -35.45 73.81 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.034 1.734 . . . . 10.0 112.032 -172.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -70.4 -29.28 65.86 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.603 1.161 . . . . 10.0 113.987 176.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 9.0 mt -90.64 -36.12 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 120.704 1.593 . . . . 10.0 111.017 172.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 mt -41.49 -50.74 3.94 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 128.635 2.774 . . . . 10.0 111.425 175.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -59.93 -19.29 51.03 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 115.486 1.661 . . . . 10.0 115.486 -175.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 75.3 p -66.32 -52.54 46.13 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.671 1.188 . . . . 10.0 113.77 -170.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -92.89 108.73 34.36 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 108.536 -0.913 . . . . 10.0 108.536 169.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -64.39 -32.58 60.46 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.754 2.303 . . . . 10.0 111.821 -174.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -70.5 -39.43 74.15 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.622 0.769 . . . . 10.0 111.146 175.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.33 -46.18 90.82 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.866 0.757 . . . . 10.0 109.642 170.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -50.23 74.28 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.844 0.747 . . . . 10.0 111.839 177.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.82 98.14 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.183 -0.948 . . . . 10.0 112.919 175.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.09 91.31 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.341 1.057 . . . . 10.0 112.055 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -57.79 -61.2 2.7 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 107.712 -1.218 . . . . 10.0 107.712 169.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 69.6 mt -55.11 -46.01 77.32 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 119.508 1.049 . . . . 10.0 111.492 -175.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -57.57 -60.05 4.26 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 124.675 1.19 . . . . 10.0 111.723 175.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -32.03 69.76 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 119.172 0.896 . . . . 10.0 111.424 -176.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -55.43 -54.04 48.71 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.723 1.601 . . . . 10.0 109.014 169.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 1.5 m -59.48 -42.8 92.91 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.639 0.375 . . . . 10.0 111.948 176.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.08 -47.5 85.03 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.16 0.984 . . . . 10.0 112.885 175.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -40.33 73.71 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 124.68 1.192 . . . . 10.0 110.619 174.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -68.22 -53.31 25.69 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 117.937 -1.03 . . . . 10.0 113.061 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 30.9 m . . . . . 0 N--CA 1.48 1.06 0 CA-C-N 120.689 1.586 . . . . 10.0 111.509 178.577 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.402 ' HG3' ' H ' ' B' ' 52' ' ' ILE . 2.4 tm-20 . . . . . 0 C--O 1.212 -0.899 0 CA-C-O 116.816 -1.564 . . . . 10.0 111.955 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -35.44 69.83 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 121.387 1.903 . . . . 10.0 113.243 -176.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.07 -43.14 58.82 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.9 0.773 . . . . 10.0 111.47 174.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.06 -40.08 92.31 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.223 1.009 . . . . 10.0 110.855 176.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.4 tp -63.62 -49.33 73.73 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 130.653 3.581 . . . . 10.0 110.945 175.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -57.93 -53.35 59.2 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 123.357 0.663 . . . . 10.0 112.019 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -66.0 -34.46 78.14 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.102 0.865 . . . . 10.0 112.815 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 mt -71.46 -43.23 67.04 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 119.59 1.086 . . . . 10.0 112.788 174.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -71.28 -28.59 64.24 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 121.508 1.958 . . . . 10.0 111.191 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.2 m -63.38 -53.39 53.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 118.092 -0.956 . . . . 10.0 109.627 169.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.456 HD22 HD12 ' B' ' 61' ' ' LEU . 4.7 tp -50.9 -55.8 15.36 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 119.37 0.987 . . . . 10.0 111.442 170.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.624 HD12 HD22 ' B' ' 64' ' ' LEU . 3.2 tp -73.65 -2.49 23.32 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.044 1.127 . . . . 10.0 114.044 -171.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.8 p -136.69 10.7 3.15 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -43.7 -6.42 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.021 1 C-N-CA 131.834 4.054 . . . . 10.0 120.323 -169.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.1 p 121.02 -28.57 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.422 1 C-N-CA 133.95 4.9 . . . . 10.0 112.588 -176.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -61.76 162.57 8.51 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 123.295 1.521 . . . . 10.0 113.324 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.25 -15.88 1.44 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.06 2.144 . . . . 10.0 113.201 169.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 m -47.68 -45.35 28.2 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 127.118 2.167 . . . . 10.0 116.03 -169.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -127.59 28.09 4.54 Favored Glycine 0 N--CA 1.472 1.038 0 C-N-CA 124.993 1.282 . . . . 10.0 112.538 172.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 mt -110.42 -29.88 7.91 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 124.633 1.173 . . . . 10.0 109.217 169.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.34 -40.39 59.02 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.525 2.33 . . . . 10.0 113.21 176.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -60.33 -53.17 60.78 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.378 1.471 . . . . 10.0 112.662 169.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 mm -62.14 -39.19 83.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 124.398 1.079 . . . . 10.0 110.094 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -65.67 -49.52 68.28 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.704 2.002 . . . . 10.0 110.363 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.9 ptt-85 -64.62 -38.33 90.65 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.659 1.118 . . . . 10.0 112.392 175.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.63 -19.9 52.31 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 119.245 0.93 . . . . 10.0 113.321 173.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.0 mt -112.89 13.52 19.63 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.968 1.707 . . . . 10.0 112.548 175.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.88 11.57 44.45 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 126.384 1.945 . . . . 10.0 115.784 177.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.25 35.7 mt -52.08 -45.33 93.55 Favored Pre-proline 0 N--CA 1.472 0.63 0 CA-C-O 117.245 -1.36 . . . . 10.0 113.621 -169.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -57.75 -24.17 62.08 Favored 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 122.649 2.232 . . . . 10.0 116.007 174.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -79.12 -35.05 42.8 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 120.07 1.304 . . . . 10.0 111.324 170.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.95 -40.9 90.57 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.465 -0.772 . . . . 10.0 110.251 169.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 N--CA 1.477 0.879 0 C-N-CA 126.158 1.783 . . . . 10.0 111.598 172.049 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.442 -0.86 0 N-CA-C 105.918 -1.882 . . . . 10.0 105.918 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.402 ' H ' ' HG3' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -90.88 -10.07 10.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 123.566 0.747 . . . . 10.0 112.726 -170.263 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 61.9 p -103.91 0.74 0.1 OUTLIER Pre-proline 0 CA--C 1.546 0.816 0 N-CA-C 118.973 2.953 . . . . 10.0 118.973 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -64.93 -19.45 63.99 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 CA-C-N 124.82 2.757 . . . . 10.0 114.655 -172.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 13.1 p -84.05 -47.19 11.2 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.895 0.878 . . . . 10.0 111.375 169.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.98 -30.03 63.75 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.46 1.504 . . . . 10.0 112.555 172.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 44.0 tp -56.02 -19.9 14.59 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 127.178 2.191 . . . . 10.0 112.036 170.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -104.31 -59.89 1.67 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 123.897 0.879 . . . . 10.0 108.915 168.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.15 -37.57 53.68 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 116.208 1.929 . . . . 10.0 116.208 -169.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 tp -79.94 -36.64 35.94 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 120.576 1.535 . . . . 10.0 110.113 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.456 HD12 HD22 ' A' ' 16' ' ' LEU . 23.7 tp -61.42 -50.72 71.69 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 125.262 1.425 . . . . 10.0 111.656 174.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 -62.66 -34.0 76.2 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.932 1.242 . . . . 10.0 112.264 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 5.1 m -64.53 -21.89 66.81 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.502 1.521 . . . . 10.0 114.502 -177.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.624 HD22 HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -115.89 -15.92 11.19 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.986 1.106 . . . . 10.0 113.986 170.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -64.14 -41.16 97.29 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 107.513 -1.291 . . . . 10.0 107.513 167.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 10.4 p -69.54 126.04 92.36 Favored Pre-proline 0 CA--C 1.548 0.879 0 N-CA-C 104.4 -2.444 . . . . 10.0 104.4 167.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -60.24 147.93 91.76 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 N-CA-C 117.59 2.112 . . . . 10.0 117.59 -168.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 82.5 p -58.68 -10.93 2.6 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.9 2.48 . . . . 10.0 114.539 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.4 t -64.91 -67.62 1.0 Allowed Pre-proline 0 CA--C 1.544 0.736 0 CA-C-O 117.511 -1.233 . . . . 10.0 111.824 170.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.79 -26.19 27.68 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 CA-C-N 122.301 1.857 . . . . 10.0 112.634 169.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -84.73 17.92 2.58 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.634 1.346 . . . . 10.0 114.634 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -54.18 -38.72 65.9 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 128.555 2.742 . . . . 10.0 115.353 -173.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.51 ' NE2' ' H ' ' B' ' 73' ' ' GLN . 2.1 pm0 -86.69 -179.39 6.57 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.183 1.393 . . . . 10.0 114.059 -169.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -63.1 5.94 0.13 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.172 2.189 . . . . 10.0 115.322 -169.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -63.47 -23.75 67.53 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 121.103 1.774 . . . . 10.0 113.288 175.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.04 -52.09 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 107.758 -1.201 . . . . 10.0 107.758 169.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.402 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 0.5 OUTLIER -60.52 -40.06 90.05 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 126.104 1.762 . . . . 10.0 111.376 -174.43 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -62.95 -30.48 71.6 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.894 1.278 . . . . 10.0 113.25 176.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 32.9 mt -88.53 -45.49 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 119.634 1.106 . . . . 10.0 110.458 172.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 5.6 mt -39.75 -52.14 2.32 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 128.481 2.713 . . . . 10.0 111.951 176.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -57.46 -20.4 30.4 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.886 1.069 . . . . 10.0 113.886 -176.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 65.6 p -80.7 -6.44 58.43 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.63 1.345 . . . . 10.0 114.63 175.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -127.45 73.19 77.84 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 119.285 0.948 . . . . 10.0 111.254 -170.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -37.94 -60.34 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 125.143 3.896 . . . . 10.0 117.286 -171.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -60.49 -41.75 94.89 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.791 0.723 . . . . 10.0 112.091 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.65 -36.51 76.14 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 123.32 0.648 . . . . 10.0 111.724 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -48.85 80.04 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.035 0.834 . . . . 10.0 111.091 171.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.36 95.7 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.486 0.584 . . . . 10.0 112.224 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.47 87.48 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-O 118.621 -0.704 . . . . 10.0 112.588 176.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -58.72 -59.5 5.32 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 117.82 -1.086 . . . . 10.0 109.465 169.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 71.6 mt -49.9 -50.46 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 CA-C-N 119.239 0.927 . . . . 10.0 111.122 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.556 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.1 OUTLIER -60.98 -60.0 4.48 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.558 0.743 . . . . 10.0 112.238 -179.626 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -34.94 78.32 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-O 117.719 -1.134 . . . . 10.0 111.283 -175.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -56.36 -50.73 70.69 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 121.435 1.925 . . . . 10.0 111.128 170.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 3.2 m -57.71 -45.86 85.16 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 122.524 0.329 . . . . 10.0 111.662 177.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.1 83.34 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.252 1.021 . . . . 10.0 113.387 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -45.43 66.85 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.359 1.464 . . . . 10.0 110.055 174.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -65.93 -55.76 15.21 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 117.247 -1.358 . . . . 10.0 112.802 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 26.0 m . . . . . 0 N--CA 1.476 0.851 0 CA-C-N 121.154 1.797 . . . . 10.0 113.692 -173.306 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 . . . . . 0 N--CA 1.47 0.554 0 CA-C-O 118.439 -0.791 . . . . 10.0 111.409 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.565 ' HE ' HD23 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -57.85 -46.92 84.09 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 113.775 1.028 . . . . 10.0 113.775 -172.466 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.67 90.58 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.307 0.958 . . . . 10.0 111.744 174.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.2 mt -68.66 -41.87 78.69 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.063 1.345 . . . . 10.0 110.794 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.565 HD23 ' HE ' ' A' ' 7' ' ' ARG . 56.7 tp -59.83 -54.2 49.05 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 128.666 2.786 . . . . 10.0 110.208 170.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.421 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 78.4 m-20 -55.39 -51.01 68.23 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.624 1.17 . . . . 10.0 111.349 -178.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -66.9 -30.49 70.65 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-O 118.427 -0.796 . . . . 10.0 112.44 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mt -75.26 -45.42 40.11 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-O 117.644 -1.169 . . . . 10.0 112.546 177.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.421 ' CE1' ' HA ' ' A' ' 11' ' ' ASP . 2.1 p-80 -68.61 -26.9 65.59 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 121.279 1.854 . . . . 10.0 110.761 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.5 m -62.65 -56.09 20.91 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 117.952 -1.023 . . . . 10.0 109.595 169.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.505 HD22 HD12 ' B' ' 61' ' ' LEU . 6.0 tp -47.36 -52.82 15.43 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.775 1.17 . . . . 10.0 110.771 171.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.479 HD12 HD22 ' B' ' 64' ' ' LEU . 0.8 OUTLIER -67.34 -9.24 39.24 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.486 1.514 . . . . 10.0 114.972 -176.012 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -143.29 13.94 1.81 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 -170.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -49.39 -6.02 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.881 1 C-N-CA 133.143 4.577 . . . . 10.0 118.888 -169.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.273 73.9 p 112.04 -16.98 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.08 1 C-N-CA 133.517 4.727 . . . . 10.0 113.557 -177.855 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -60.9 165.69 3.91 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-O 122.644 1.212 . . . . 10.0 113.177 171.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -143.95 -9.8 0.69 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.535 2.334 . . . . 10.0 114.256 169.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.3 m -47.12 -53.37 13.06 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 128.295 2.638 . . . . 10.0 116.593 -168.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.75 -10.27 11.51 Favored Glycine 0 N--CA 1.471 1.017 0 CA-C-N 118.596 0.634 . . . . 10.0 113.187 168.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.2 mt -57.49 -31.23 65.79 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.802 1.241 . . . . 10.0 111.837 169.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -42.09 -52.98 4.12 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 127.821 2.448 . . . . 10.0 115.676 173.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -59.39 -46.6 88.24 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.416 1.007 . . . . 10.0 112.483 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.471 HD11 HG21 ' B' ' 76' ' ' VAL . 5.4 mt -67.42 -36.4 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 124.054 0.942 . . . . 10.0 109.399 -175.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -80.2 -32.76 38.54 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 117.199 -1.381 . . . . 10.0 113.178 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 -67.85 -35.44 78.57 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 120.378 1.445 . . . . 10.0 111.02 169.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.36 -19.9 57.45 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.272 1.029 . . . . 10.0 113.759 171.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.9 mt -113.49 11.65 18.45 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.676 1.59 . . . . 10.0 112.596 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.22 8.0 53.25 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 125.171 1.367 . . . . 10.0 116.166 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.0 mt -52.38 -46.61 94.6 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 125.887 1.675 . . . . 10.0 113.08 -171.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -59.48 -38.76 81.29 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 122.671 2.247 . . . . 10.0 113.765 173.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -46.29 71.83 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 118.499 0.591 . . . . 10.0 110.792 176.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.1 mt -54.34 -41.92 69.64 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.933 0.893 . . . . 10.0 111.914 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.455 HG21 ' CB ' ' B' ' 98' ' ' TYR . 79.7 t . . . . . 0 N--CA 1.477 0.896 0 C-N-CA 123.711 0.804 . . . . 10.0 111.143 172.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 CA--C 1.529 0.152 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.453 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.1 OUTLIER -89.93 -10.29 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.165 0.586 . . . . 10.0 112.028 -177.327 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 13.0 p -96.6 -3.12 0.1 Allowed Pre-proline 0 N--CA 1.474 0.76 0 N-CA-C 118.851 2.908 . . . . 10.0 118.851 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -64.79 -18.78 63.49 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 CA-C-N 125.73 3.082 . . . . 10.0 113.831 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.8 p -81.42 -53.8 6.0 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 125.038 1.335 . . . . 10.0 110.871 168.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.83 -32.7 53.79 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.889 1.275 . . . . 10.0 113.689 174.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 28.2 tp -58.1 -28.73 64.89 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 127.684 2.394 . . . . 10.0 112.388 172.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -90.25 -59.66 2.13 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.696 0.798 . . . . 10.0 109.44 169.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.81 -48.78 15.72 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 115.965 1.839 . . . . 10.0 115.965 -168.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.71 -39.67 64.15 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 120.937 -1.102 . . . . 10.0 109.304 -176.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.505 HD12 HD22 ' A' ' 16' ' ' LEU . 15.1 tp -54.98 -50.11 69.78 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 117.841 -1.076 . . . . 10.0 109.601 172.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -53.8 -51.87 62.13 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 119.94 1.245 . . . . 10.0 112.083 169.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . 0.457 HG21 ' HA ' ' B' ' 76' ' ' VAL . 1.0 OUTLIER -57.87 -22.43 48.06 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 127.854 2.462 . . . . 10.0 115.858 -174.747 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.479 HD22 HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -113.26 -19.0 11.95 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.958 1.096 . . . . 10.0 113.958 169.518 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -57.04 -41.98 79.66 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 107.315 -1.365 . . . . 10.0 107.315 168.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 37.9 p -71.12 107.06 2.23 Favored Pre-proline 0 CA--C 1.544 0.713 0 N-CA-C 102.462 -3.162 . . . . 10.0 102.462 165.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.94 150.89 60.97 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 N-CA-C 117.331 2.012 . . . . 10.0 117.331 -167.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 52.7 p -49.93 -35.17 22.97 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 125.723 1.609 . . . . 10.0 114.045 -170.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.8 t -45.94 -65.85 0.6 Allowed Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 125.586 1.555 . . . . 10.0 114.477 -175.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.82 -21.9 15.8 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 122.169 1.912 . . . . 10.0 112.943 169.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -90.27 9.4 28.84 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 116.495 2.035 . . . . 10.0 116.495 -169.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -17.02 9.62 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 127.535 2.334 . . . . 10.0 116.06 -176.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -68.54 168.22 13.35 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.879 1.437 . . . . 10.0 114.879 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -7.15 0.17 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 126.009 1.724 . . . . 10.0 115.627 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . 0.403 ' NE2' HG23 ' B' ' 63' ' ' THR . 2.1 pp0? -53.74 -34.65 59.59 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 120.377 1.444 . . . . 10.0 113.763 169.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.471 HG21 HD11 ' A' ' 28' ' ' ILE . 2.5 t -69.44 -52.6 31.05 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.518 0 N-CA-C 108.383 -0.969 . . . . 10.0 108.383 174.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.92 -37.36 73.93 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.509 1.124 . . . . 10.0 111.173 -174.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -58.84 -39.4 81.15 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 126.253 1.821 . . . . 10.0 113.352 174.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.6 mt -88.64 -39.41 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 123.371 0.668 . . . . 10.0 109.567 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.0 mt -42.89 -54.46 4.17 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 127.83 2.452 . . . . 10.0 111.255 170.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -61.41 -12.54 14.78 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.427 1.269 . . . . 10.0 114.427 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 52.2 p -79.94 -16.6 54.93 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.841 1.423 . . . . 10.0 114.841 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -125.9 103.65 27.21 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 108.543 -0.91 . . . . 10.0 108.543 172.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_exo -59.6 -39.37 75.28 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.313 2.676 . . . . 10.0 113.201 -174.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.8 -42.83 85.3 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.106 0.563 . . . . 10.0 110.548 178.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.87 -42.93 99.94 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.267 1.427 . . . . 10.0 110.542 174.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -52.37 65.9 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.344 0.658 . . . . 10.0 111.355 175.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.88 -42.22 99.69 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 121.876 -0.515 . . . . 10.0 111.711 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.23 -38.73 92.09 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.191 0.905 . . . . 10.0 113.148 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.439 ' CD1' ' HG ' ' A' ' 17' ' ' LEU . 45.8 t80 -56.78 -56.78 17.12 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.4 1.08 . . . . 10.0 109.738 170.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 98.2 mt -52.95 -57.65 4.16 Favored 'Isoleucine or valine' 0 C--N 1.35 0.607 0 O-C-N 124.058 0.849 . . . . 10.0 108.902 178.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -60.56 2.99 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.666 1.186 . . . . 10.0 113.005 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.83 -26.84 64.43 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-O 117.124 -1.417 . . . . 10.0 112.017 -176.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 35.9 mmm-85 -64.59 -51.21 63.93 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 120.819 1.645 . . . . 10.0 111.438 169.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.48 -40.8 79.37 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.222 0.919 . . . . 10.0 110.957 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.16 85.3 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.067 0.766 . . . . 10.0 113.067 172.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -44.48 66.54 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.227 1.411 . . . . 10.0 110.349 174.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' TYR . . . . . 0.455 ' CB ' HG21 ' A' ' 38' ' ' VAL . 19.7 m-85 -57.29 -60.48 3.56 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 117.385 -1.293 . . . . 10.0 111.938 174.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 114.17 1.174 . . . . 10.0 114.17 -178.772 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 pm0 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 114.806 1.41 . . . . 10.0 114.806 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.31 -35.83 82.14 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 120.166 1.348 . . . . 10.0 112.396 176.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.92 -43.7 62.1 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.862 0.865 . . . . 10.0 110.963 175.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.49 -44.57 89.45 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.34 1.056 . . . . 10.0 110.091 174.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.26 -49.38 78.05 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 128.537 2.735 . . . . 10.0 110.987 173.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -57.81 -50.88 71.8 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 118.793 0.724 . . . . 10.0 112.886 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -64.88 -38.9 92.51 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 119.913 -0.715 . . . . 10.0 111.386 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.2 mt -70.63 -41.35 72.32 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-O 116.492 -1.718 . . . . 10.0 112.356 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -70.62 -34.17 71.82 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 122.2 2.273 . . . . 10.0 110.871 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.6 m -60.25 -55.78 29.53 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 125.039 1.336 . . . . 10.0 110.794 170.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' B' ' 61' ' ' LEU . 3.3 tp -51.71 -57.52 9.0 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 118.554 0.616 . . . . 10.0 110.685 173.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.484 ' HA ' HD22 ' B' ' 64' ' ' LEU . 7.6 tp -69.35 -9.06 51.67 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 113.299 0.851 . . . . 10.0 113.299 -169.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -134.24 5.97 3.56 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.077 1.51 . . . . 10.0 115.077 -172.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -40.1 -3.61 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.933 1 C-N-CA 135.382 5.473 . . . . 10.0 120.668 -170.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.25 81.3 p 109.95 -17.58 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.166 1 C-N-CA 133.33 4.652 . . . . 10.0 114.287 -177.793 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -62.32 163.2 8.77 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 123.47 1.605 . . . . 10.0 112.954 171.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.43 -5.24 0.66 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.41 1.884 . . . . 10.0 113.921 169.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.4 m -43.32 -58.98 2.29 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.931 2.092 . . . . 10.0 116.551 -168.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.95 -12.69 12.0 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-N 118.702 0.683 . . . . 10.0 112.105 168.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.9 mt -55.22 -29.44 57.98 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-O 117.847 -1.073 . . . . 10.0 110.89 168.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.98 -38.1 16.11 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.741 1.617 . . . . 10.0 114.582 174.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -65.44 -53.28 45.09 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.811 1.244 . . . . 10.0 111.968 169.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.4 mm -60.19 -34.83 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 124.797 1.239 . . . . 10.0 110.354 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.5 ' HA ' HD12 ' A' ' 34' ' ' ILE . 78.4 m-20 -64.04 -57.62 9.13 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.603 1.961 . . . . 10.0 110.198 175.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.4 ptt-85 -62.19 -31.52 72.06 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 113.429 0.9 . . . . 10.0 113.429 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.5 -20.04 58.85 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.163 0.985 . . . . 10.0 113.363 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.0 mt -114.14 14.12 18.17 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.4 1.48 . . . . 10.0 112.246 172.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.3 8.07 53.89 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 116.011 1.165 . . . . 10.0 116.011 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 29' ' ' ASP 0.297 51.3 mt -47.14 -50.68 45.68 Favored Pre-proline 0 N--CA 1.475 0.813 0 CA-C-O 116.985 -1.483 . . . . 10.0 113.407 -173.326 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -61.4 -29.56 85.69 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 123.382 2.722 . . . . 10.0 115.179 175.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -72.71 -49.8 28.92 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.927 0.785 . . . . 10.0 110.308 172.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.1 mt -49.47 -48.35 47.79 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.765 1.226 . . . . 10.0 110.471 172.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.478 HG21 ' CB ' ' B' ' 98' ' ' TYR . 24.8 t . . . . . 0 N--CA 1.469 0.498 0 C-N-CA 126.595 1.958 . . . . 10.0 112.886 170.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 N--CA 1.467 0.41 0 N-CA-C 108.576 -0.898 . . . . 10.0 108.576 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.774 HD13 ' H ' ' B' ' 52' ' ' ILE . 0.2 OUTLIER -89.79 -5.22 10.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 124.872 1.269 . . . . 10.0 112.314 -172.604 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 50.7 p -124.61 5.99 0.06 OUTLIER Pre-proline 0 CA--C 1.546 0.807 0 N-CA-C 118.569 2.803 . . . . 10.0 118.569 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -67.04 -19.57 51.45 Favored 'Trans proline' 0 C--N 1.356 0.947 0 CA-C-N 124.838 2.764 . . . . 10.0 112.677 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 11.9 p -74.78 -58.4 3.31 Favored 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 125.186 1.394 . . . . 10.0 109.854 168.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.423 ' HA ' ' H ' ' B' ' 60' ' ' LEU . . . -54.12 -29.07 43.54 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.859 1.263 . . . . 10.0 113.847 175.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 20.4 tp -59.71 -31.57 69.71 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 127.021 2.129 . . . . 10.0 112.326 171.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -90.91 -39.49 12.25 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.581 1.152 . . . . 10.0 111.355 171.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.24 -59.35 1.85 Allowed 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 116.751 2.13 . . . . 10.0 116.751 -170.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.423 ' H ' ' HA ' ' B' ' 56' ' ' ALA . 3.5 tp -71.03 -32.06 68.71 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 121.693 0.758 . . . . 10.0 110.063 -174.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.42 ' HA ' HD22 ' A' ' 16' ' ' LEU . 36.7 tp -63.9 -54.48 34.16 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 126.022 1.729 . . . . 10.0 111.251 173.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 29.9 ptt-85 -63.77 -35.88 82.04 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 120.124 1.329 . . . . 10.0 111.007 175.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 19.4 m -54.71 -48.41 72.52 Favored 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 126.097 1.759 . . . . 10.0 112.605 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.484 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -93.46 -11.66 31.56 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 114.873 1.434 . . . . 10.0 114.873 174.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -38.53 82.75 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.063 -1.023 . . . . 10.0 109.182 168.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 3.8 p -75.76 114.43 36.57 Favored Pre-proline 0 CA--C 1.546 0.798 0 N-CA-C 102.709 -3.071 . . . . 10.0 102.709 166.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.66 159.77 27.09 Favored 'Trans proline' 0 C--N 1.354 0.825 0 N-CA-C 117.074 1.913 . . . . 10.0 117.074 -168.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 21.2 p -59.57 -23.6 63.04 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 113.86 -1.518 . . . . 10.0 114.414 -169.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.7 t -51.86 -66.51 0.71 Allowed Pre-proline 0 CA--C 1.549 0.927 0 CA-C-O 117.63 -1.176 . . . . 10.0 113.247 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.83 -27.81 25.67 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.197 1.931 . . . . 10.0 112.596 169.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -82.0 16.78 1.77 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.845 1.658 . . . . 10.0 114.847 -176.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -61.4 -21.79 64.4 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 128.547 2.739 . . . . 10.0 113.084 172.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -62.83 172.65 1.61 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 123.686 1.708 . . . . 10.0 112.857 177.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -8.96 19.83 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.16 1.384 . . . . 10.0 113.647 -172.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -66.1 -22.75 66.42 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.244 1.384 . . . . 10.0 113.791 -171.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.57 -53.33 22.91 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.249 0 CA-C-N 119.89 1.223 . . . . 10.0 108.218 169.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -58.73 -41.33 86.19 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.115 1.766 . . . . 10.0 110.503 -175.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -68.5 -26.89 65.69 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.55 1.54 . . . . 10.0 112.513 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 28.4 mt -84.66 -47.0 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 119.962 1.256 . . . . 10.0 108.404 169.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 mt -39.31 -56.24 1.58 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 127.82 2.448 . . . . 10.0 113.717 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . 0.263 0.0 OUTLIER -65.39 -6.44 10.24 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 115.431 1.641 . . . . 10.0 115.431 -177.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 58.1 p -87.0 -6.23 58.82 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.969 1.259 . . . . 10.0 114.078 170.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.02 64.87 67.26 Favored Pre-proline 0 N--CA 1.47 0.535 0 N-CA-C 108.225 -1.028 . . . . 10.0 108.225 -172.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -47.01 -47.67 16.15 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 124.749 3.633 . . . . 10.0 116.35 -168.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -67.14 -37.73 84.32 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 119.555 1.07 . . . . 10.0 113.158 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.91 -37.48 84.44 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.72 -0.612 . . . . 10.0 110.163 171.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 5.0 ttt -60.71 -48.14 83.1 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.03 0.932 . . . . 10.0 110.791 175.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.25 97.63 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.141 0.577 . . . . 10.0 112.331 171.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.68 86.46 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.12 0.873 . . . . 10.0 113.197 175.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -59.5 -59.93 4.67 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.084 1.354 . . . . 10.0 108.816 169.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 91.0 mt -47.85 -46.9 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-N 119.632 1.106 . . . . 10.0 111.507 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -61.8 -60.04 4.25 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 113.838 1.051 . . . . 10.0 113.838 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.68 -30.95 66.26 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 120.149 1.341 . . . . 10.0 111.606 -174.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -60.73 -56.88 15.98 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.557 1.526 . . . . 10.0 110.797 170.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 23.5 p -53.68 -45.69 70.41 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 118.461 -0.78 . . . . 10.0 111.789 174.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.3 85.96 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.964 0.906 . . . . 10.0 113.334 175.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.36 -53.9 25.62 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.598 1.559 . . . . 10.0 109.376 172.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' TYR . . . . . 0.478 ' CB ' HG21 ' A' ' 38' ' ' VAL . 27.0 m-85 -61.0 -57.77 11.25 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 116.188 -1.863 . . . . 10.0 111.511 178.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.48 1.051 0 CA-C-N 122.499 2.409 . . . . 10.0 113.969 -172.472 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 . . . . . 0 N--CA 1.467 0.38 0 N-CA-C 112.362 0.504 . . . . 10.0 112.362 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -38.55 82.43 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 112.846 0.684 . . . . 10.0 112.846 177.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.92 -32.96 65.67 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.955 0.902 . . . . 10.0 112.129 170.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.97 -45.97 83.46 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.46 1.027 . . . . 10.0 110.491 172.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.2 tp -55.1 -51.44 66.39 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.881 1.673 . . . . 10.0 110.316 173.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.424 ' HA ' ' CD2' ' A' ' 14' ' ' HIS 0.255 72.5 m-20 -53.58 -57.24 11.44 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 170.614 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.432 HE21 ' C ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -66.37 -26.41 67.26 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 119.498 1.045 . . . . 10.0 112.78 -177.422 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -72.34 -52.58 15.53 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 117.367 -1.301 . . . . 10.0 110.67 172.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 11' ' ' ASP . 7.3 p80 -66.26 -27.42 67.93 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 120.737 1.608 . . . . 10.0 112.141 -178.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.4 m -64.63 -53.77 42.39 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.135 1.374 . . . . 10.0 110.887 169.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 tp -49.34 -53.26 23.12 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 120.042 1.292 . . . . 10.0 110.004 171.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.634 HD12 HD22 ' B' ' 64' ' ' LEU . 2.3 tp -65.59 -14.71 61.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.477 1.511 . . . . 10.0 114.142 -174.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -135.98 21.67 3.27 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.12 0.968 . . . . 10.0 112.506 -171.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -61.4 -12.75 15.64 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 129.628 3.171 . . . . 10.0 115.936 -169.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.261 41.3 p 121.09 -19.45 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.871 1 C-N-CA 133.755 4.822 . . . . 10.0 112.71 -178.816 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -55.26 153.67 6.77 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 120.526 1.512 . . . . 10.0 112.949 174.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -147.82 -11.48 0.39 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.318 2.647 . . . . 10.0 114.826 -178.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.3 t -52.66 -41.33 63.71 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-N 121.747 2.067 . . . . 10.0 115.532 -168.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.9 -17.99 3.65 Favored Glycine 0 C--N 1.322 -0.234 0 O-C-N 124.643 1.214 . . . . 10.0 113.116 170.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.497 HD11 HD21 ' B' ' 64' ' ' LEU . 4.6 mt -57.25 -22.27 40.02 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 117.551 -1.214 . . . . 10.0 111.086 170.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -48.9 -41.05 32.24 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.919 1.236 . . . . 10.0 113.433 169.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -63.4 -51.41 65.94 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.178 0.991 . . . . 10.0 110.558 177.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.5 mm -67.66 -31.08 50.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 123.936 0.894 . . . . 10.0 110.102 -175.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -69.7 -53.97 16.0 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.173 1.389 . . . . 10.0 109.872 173.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.7 ptt85 -68.18 -32.69 73.11 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 118.257 -0.878 . . . . 10.0 112.943 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.2 -19.96 49.82 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.268 1.427 . . . . 10.0 112.398 170.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.4 mt -115.32 12.32 16.37 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.106 1.762 . . . . 10.0 111.611 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.05 14.18 51.88 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.084 1.326 . . . . 10.0 115.691 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.1 mt -52.93 -43.3 93.8 Favored Pre-proline 0 CA--C 1.549 0.919 0 CA-C-N 119.375 1.588 . . . . 10.0 114.796 -169.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -58.91 -26.23 80.23 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.237 1.958 . . . . 10.0 115.261 172.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -83.98 -35.95 23.55 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 118.277 -0.868 . . . . 10.0 110.825 169.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 73.0 mt -57.12 -27.77 62.11 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.786 1.175 . . . . 10.0 112.947 170.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.1 t . . . . . 0 N--CA 1.474 0.728 0 C-N-CA 124.335 1.054 . . . . 10.0 110.296 169.212 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.235 0.298 0 N-CA-C 104.914 -2.254 . . . . 10.0 104.914 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -8.38 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 125.265 1.426 . . . . 10.0 112.869 -174.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 81.4 p -109.9 -6.12 0.11 Allowed Pre-proline 0 C--O 1.218 -0.581 0 N-CA-C 118.929 2.937 . . . . 10.0 118.929 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -66.28 -19.6 56.0 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 CA-C-N 125.135 2.87 . . . . 10.0 114.077 -172.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 47.0 p -86.57 -49.14 7.76 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.435 1.094 . . . . 10.0 110.362 169.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.23 -29.27 57.69 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.474 1.509 . . . . 10.0 112.79 174.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 53.6 tp -57.32 -29.83 64.26 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 128.974 2.91 . . . . 10.0 112.543 170.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -92.26 -60.41 1.85 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.841 1.256 . . . . 10.0 109.452 168.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.2 -51.73 19.8 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 116.77 2.137 . . . . 10.0 116.77 -168.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.1 tp -77.62 -35.18 53.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 118.844 0.747 . . . . 10.0 110.149 -176.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.47 -52.92 63.54 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 116.828 -1.558 . . . . 10.0 111.197 170.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -64.04 -33.89 76.77 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 121.753 2.07 . . . . 10.0 112.516 176.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 20.8 m -65.16 -21.01 66.72 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.287 1.835 . . . . 10.0 114.555 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.634 HD22 HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -118.06 -13.48 9.98 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 114.271 1.212 . . . . 10.0 114.271 169.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -29.15 69.62 Favored 'General case' 0 C--N 1.345 0.407 0 N-CA-C 108.465 -0.939 . . . . 10.0 108.465 167.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 5.4 p -89.85 111.57 47.07 Favored Pre-proline 0 CA--C 1.552 1.032 0 N-CA-C 101.886 -3.376 . . . . 10.0 101.886 165.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -60.46 162.37 17.89 Favored 'Trans proline' 0 C--N 1.351 0.678 0 N-CA-C 116.285 1.609 . . . . 10.0 116.285 -168.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 49.2 p -63.76 -16.05 60.19 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 117.847 -1.073 . . . . 10.0 113.719 -173.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -56.39 -59.82 10.94 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 120.088 1.313 . . . . 10.0 112.379 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -72.81 -35.13 6.0 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 CA-C-N 120.948 1.374 . . . . 10.0 111.256 168.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -81.93 36.43 0.45 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.578 1.551 . . . . 10.0 113.214 -176.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -78.54 -33.44 47.85 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 125.44 1.496 . . . . 10.0 114.568 -169.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.467 ' NE2' ' H ' ' B' ' 73' ' ' GLN . 2.2 pm0 -68.01 167.12 14.48 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 122.445 1.117 . . . . 10.0 111.381 177.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -65.21 18.52 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 115.604 1.705 . . . . 10.0 115.604 -173.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.8 -24.95 68.0 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.945 1.248 . . . . 10.0 112.748 170.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.79 -52.63 38.01 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 N-CA-C 107.049 -1.463 . . . . 10.0 107.049 169.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.55 -39.57 84.42 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.501 1.52 . . . . 10.0 111.776 -173.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -59.87 -35.27 74.46 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.754 1.222 . . . . 10.0 113.049 174.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 26.5 mt -87.47 -44.02 15.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-N 119.07 0.85 . . . . 10.0 109.971 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.2 mt -39.98 -54.7 2.17 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 128.448 2.699 . . . . 10.0 111.855 172.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -57.62 -18.23 18.91 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.128 1.158 . . . . 10.0 114.128 -174.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 82.4 p -79.82 -14.27 58.81 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 114.764 1.394 . . . . 10.0 114.764 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -124.15 96.37 42.23 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -55.26 -49.27 16.89 Favored 'Trans proline' 0 C--O 1.24 0.581 0 C-N-CA 124.136 3.224 . . . . 10.0 112.793 -173.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -60.29 -48.9 79.77 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.25 1.82 . . . . 10.0 111.369 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.32 -37.79 88.65 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 124.254 1.021 . . . . 10.0 110.611 176.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -52.23 66.27 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.773 1.17 . . . . 10.0 111.464 173.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.12 -44.66 97.0 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.506 0.594 . . . . 10.0 111.839 174.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.05 -39.08 88.49 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.411 1.084 . . . . 10.0 111.874 177.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -59.23 -60.3 4.08 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 124.995 1.318 . . . . 10.0 108.731 169.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 86.6 mt -49.02 -47.99 16.77 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 CA-C-N 119.877 1.217 . . . . 10.0 110.746 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -63.37 -60.61 3.16 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.372 1.069 . . . . 10.0 112.363 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.72 -25.18 61.96 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 117.288 -1.339 . . . . 10.0 111.52 -174.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -63.54 -48.74 76.26 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.397 1.453 . . . . 10.0 110.089 169.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.4 m -58.11 -41.96 84.68 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 122.05 -0.406 . . . . 10.0 111.186 175.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.73 -46.01 90.44 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.656 0.782 . . . . 10.0 112.36 170.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -41.71 64.95 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.8 1.64 . . . . 10.0 111.043 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -63.92 -60.32 3.41 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 118.378 -0.82 . . . . 10.0 111.168 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.47 0.553 0 CA-C-N 120.313 1.415 . . . . 10.0 114.185 -177.303 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.426 ' HA ' HD12 ' A' ' 9' ' ' LEU . 17.4 pm0 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 116.242 -1.837 . . . . 10.0 114.863 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -62.88 -40.59 97.99 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 121.508 1.958 . . . . 10.0 111.719 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.91 -41.36 78.3 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.593 0.633 . . . . 10.0 111.975 175.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 6' ' ' GLU . 10.6 mt -62.01 -44.41 96.78 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 124.306 1.042 . . . . 10.0 110.797 177.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.06 -50.74 72.94 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 129.069 2.948 . . . . 10.0 110.378 173.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -57.2 -53.56 56.72 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 113.276 0.843 . . . . 10.0 113.276 174.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -65.82 -27.42 68.24 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 119.261 0.937 . . . . 10.0 112.866 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -79.42 -42.4 25.5 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.268 0.94 . . . . 10.0 111.683 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -69.92 -29.77 67.01 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.617 1.553 . . . . 10.0 111.779 174.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.0 m -69.13 -41.98 76.64 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 117.926 -1.035 . . . . 10.0 111.15 169.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.68 -55.03 21.85 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 120.117 1.326 . . . . 10.0 110.45 170.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.51 ' HA ' HD22 ' B' ' 64' ' ' LEU . 2.4 mm? -63.39 -19.36 64.6 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 114.46 1.281 . . . . 10.0 114.46 177.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.8 t -108.17 5.25 25.67 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.072 1.749 . . . . 10.0 115.643 -174.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -48.81 -5.81 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 131.004 3.721 . . . . 10.0 118.866 -169.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.6 p 116.84 -18.82 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.074 1 C-N-CA 135.243 5.417 . . . . 10.0 112.695 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -63.72 156.13 27.99 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-O 123.505 1.621 . . . . 10.0 113.217 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.18 -9.28 0.68 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 128.17 2.588 . . . . 10.0 112.793 169.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.1 p -48.76 -59.96 3.13 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.227 2.211 . . . . 10.0 113.851 -169.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.88 -11.02 29.27 Favored Glycine 0 N--CA 1.474 1.197 0 C-N-CA 124.25 0.929 . . . . 10.0 114.331 171.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.667 HD11 HD21 ' B' ' 64' ' ' LEU . 8.0 mt -65.79 -25.77 67.39 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 117.759 -1.115 . . . . 10.0 111.889 169.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -50.03 -41.52 47.6 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 120.079 1.309 . . . . 10.0 112.447 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -59.51 -50.53 73.56 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.482 1.113 . . . . 10.0 111.238 175.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.1 mm -66.9 -35.2 74.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 124.449 1.1 . . . . 10.0 110.062 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -68.84 -49.68 56.37 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.339 1.456 . . . . 10.0 110.013 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 ptt85 -70.38 -35.87 73.76 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 117.982 -1.008 . . . . 10.0 112.06 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.64 -20.49 60.95 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.708 1.003 . . . . 10.0 113.708 172.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.2 mt -115.11 16.96 16.96 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.51 1.524 . . . . 10.0 113.372 175.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.09 15.65 63.23 Favored Glycine 0 C--N 1.345 1.051 0 C-N-CA 123.96 0.79 . . . . 10.0 114.636 171.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.5 mt -59.25 -41.76 89.34 Favored Pre-proline 0 CA--C 1.554 1.101 0 O-C-N 121.375 -1.073 . . . . 10.0 112.915 -171.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -62.88 -27.64 75.0 Favored 'Trans proline' 0 CA--C 1.545 1.062 0 C-N-CA 122.534 2.156 . . . . 10.0 114.757 169.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -74.55 -35.64 63.09 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 120.516 -1.365 . . . . 10.0 110.719 171.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.51 -33.18 75.02 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.998 -1.064 . . . . 10.0 111.629 169.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 169.389 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 36.8 m . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 104.04 -2.578 . . . . 10.0 104.04 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.447 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.3 OUTLIER -89.6 -20.3 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 CA-C-N 118.607 0.64 . . . . 10.0 110.681 -169.749 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 52.1 p -98.15 1.35 0.08 OUTLIER Pre-proline 0 C--O 1.222 -0.385 0 N-CA-C 119.552 3.168 . . . . 10.0 119.552 -174.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -64.13 -19.25 65.88 Favored 'Trans proline' 0 CA--C 1.549 1.274 0 CA-C-N 126.894 3.498 . . . . 10.0 113.456 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.7 p -81.07 -55.49 4.73 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.843 1.257 . . . . 10.0 110.837 169.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.42 -28.18 66.7 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 118.633 0.651 . . . . 10.0 112.314 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 23.8 tp -57.73 -25.1 59.93 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 127.685 2.394 . . . . 10.0 112.187 170.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -96.36 -58.98 1.93 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.069 0.948 . . . . 10.0 109.77 168.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.81 -38.62 37.77 Favored 'General case' 0 C--N 1.343 0.284 0 N-CA-C 116.853 2.168 . . . . 10.0 116.853 -168.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.0 tp -78.38 -33.99 48.55 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 120.607 1.548 . . . . 10.0 109.925 174.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.67 -55.65 30.76 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-O 117.519 -1.229 . . . . 10.0 111.077 174.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 40.6 ptt85 -57.83 -33.53 68.71 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.5 1.5 . . . . 10.0 112.232 173.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 15.4 m -66.97 -22.82 65.91 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.367 1.467 . . . . 10.0 114.053 -177.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.667 HD21 HD11 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -115.51 -13.46 11.57 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.236 1.198 . . . . 10.0 114.236 169.693 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -65.47 -39.9 92.53 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 107.397 -1.334 . . . . 10.0 107.397 167.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 13.6 p -71.45 120.9 82.54 Favored Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 104.752 -2.314 . . . . 10.0 104.752 167.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -62.93 156.82 51.94 Favored 'Trans proline' 0 C--N 1.354 0.826 0 N-CA-C 116.584 1.725 . . . . 10.0 116.584 -168.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 4.4 m -59.9 3.2 0.06 Allowed 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 129.853 3.261 . . . . 10.0 115.926 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.9 t -77.04 -69.68 0.22 Allowed Pre-proline 0 N--CA 1.468 0.442 0 CA-C-O 117.073 -1.442 . . . . 10.0 110.197 171.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -67.61 -24.77 41.32 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 CA-C-N 122.614 1.969 . . . . 10.0 113.107 169.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -89.54 8.84 29.11 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.389 1.255 . . . . 10.0 114.389 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -58.61 5.25 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 118.003 2.594 . . . . 10.0 118.003 -173.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -139.03 -171.85 3.19 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 123.633 1.682 . . . . 10.0 115.285 -169.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -51.77 -7.87 0.06 Allowed 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 118.437 2.754 . . . . 10.0 118.437 -169.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -66.4 -25.23 66.67 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 121.552 1.978 . . . . 10.0 113.302 171.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.72 -50.41 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 107.618 -1.252 . . . . 10.0 107.618 169.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.98 -38.02 89.45 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.277 1.031 . . . . 10.0 111.612 -173.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -59.03 -43.76 91.67 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 117.725 -1.131 . . . . 10.0 112.729 172.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 33.7 mt -78.29 -43.08 27.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 120.111 1.323 . . . . 10.0 110.006 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.2 mt -40.58 -59.59 1.32 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.637 1.975 . . . . 10.0 112.399 171.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.01 -8.73 17.27 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.58 1.326 . . . . 10.0 114.58 -176.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 52.7 p -88.5 -4.23 58.65 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.951 1.251 . . . . 10.0 114.259 173.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -132.74 73.44 76.14 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 106.479 -1.675 . . . . 10.0 106.479 -178.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -53.84 -33.66 72.17 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 123.307 2.672 . . . . 10.0 114.821 -168.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -68.35 -43.83 76.57 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.619 -0.676 . . . . 10.0 112.183 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.66 -36.85 85.59 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.888 0.875 . . . . 10.0 110.675 169.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 1.7 ttt -61.57 -48.27 81.74 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.052 0.842 . . . . 10.0 111.894 177.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.72 -46.54 90.01 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.699 0.8 . . . . 10.0 111.496 172.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.44 97.25 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.069 -0.967 . . . . 10.0 112.158 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -56.03 -56.79 16.55 Favored 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 125.073 1.349 . . . . 10.0 110.023 169.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 81.6 mt -50.78 -54.88 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.259 0.624 . . . . 10.0 110.529 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -64.32 -56.56 13.67 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.82 0.674 . . . . 10.0 112.82 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -68.06 -33.26 74.22 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 117.43 -1.271 . . . . 10.0 112.307 -176.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . 0.404 ' NH1' HD13 ' A' ' 25' ' ' LEU . 26.8 mmm180 -61.02 -41.38 96.44 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 121.559 1.982 . . . . 10.0 109.443 170.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 4.2 m -60.34 -46.67 89.1 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.139 0.576 . . . . 10.0 111.068 174.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.71 -49.22 73.62 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.697 1.199 . . . . 10.0 111.986 171.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -42.89 66.68 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.87 1.668 . . . . 10.0 111.753 174.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -61.77 -61.06 2.77 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 118.995 0.816 . . . . 10.0 111.071 173.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 21.9 m . . . . . 0 N--CA 1.474 0.774 0 CA-C-N 119.544 1.065 . . . . 10.0 113.072 -175.712 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.423 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 28.4 tt0 . . . . . 0 N--CA 1.445 -0.698 0 CA-C-O 118.719 -0.658 . . . . 10.0 111.935 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -62.58 -42.25 99.44 Favored 'General case' 0 C--O 1.228 -0.056 0 CA-C-N 118.428 0.558 . . . . 10.0 110.179 -176.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.12 -43.35 92.26 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.401 -0.809 . . . . 10.0 112.846 176.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.427 HD22 ' C ' ' A' ' 9' ' ' LEU 0.32 0.0 OUTLIER -76.88 -30.77 56.36 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.623 1.102 . . . . 10.0 111.816 179.612 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.9 tp -60.78 -48.51 81.48 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.242 1.817 . . . . 10.0 110.384 169.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -57.75 -54.35 47.86 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 113.501 0.926 . . . . 10.0 113.501 169.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -20.97 66.54 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.445 1.021 . . . . 10.0 113.056 -179.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.46 -37.67 18.07 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-O 116.264 -1.827 . . . . 10.0 113.265 171.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . 0.274 8.4 p80 -69.97 -21.36 63.25 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 122.797 2.544 . . . . 10.0 111.45 171.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.2 m -69.02 -20.34 64.13 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.42 1.088 . . . . 10.0 112.007 168.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 tp -90.96 -60.42 1.91 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.256 1.023 . . . . 10.0 110.84 170.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.568 HD12 HD22 ' B' ' 64' ' ' LEU . 8.5 tp -69.24 -6.69 30.81 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 129.018 2.927 . . . . 10.0 112.208 -171.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 61.7 m -152.05 35.73 0.54 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.802 1.641 . . . . 10.0 109.946 170.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -46.32 -54.51 8.82 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.045 1.738 . . . . 10.0 110.844 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.9 p -157.19 -69.62 0.1 Allowed 'General case' 0 C--O 1.214 -0.772 0 C-N-CA 130.945 3.698 . . . . 10.0 106.483 171.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -148.88 -172.9 4.22 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.955 1.702 . . . . 10.0 110.604 171.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.61 155.63 22.11 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 129.136 2.974 . . . . 10.0 105.626 168.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.2 p -54.04 -54.1 43.84 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.229 1.411 . . . . 10.0 112.111 -175.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.37 -22.18 76.25 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 119.314 -0.715 . . . . 10.0 113.496 174.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp -56.34 -32.62 64.87 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 115.278 1.585 . . . . 10.0 115.278 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -54.57 -59.09 5.17 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.71 1.204 . . . . 10.0 112.019 170.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -61.21 -49.76 75.85 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 128.273 2.629 . . . . 10.0 110.838 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.2 mt -56.23 -41.26 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.662 1.185 . . . . 10.0 110.689 174.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.401 ' CG ' ' HE ' ' B' ' 94' ' ' ARG . 88.4 m-20 -66.5 -51.44 56.69 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 119.679 1.127 . . . . 10.0 110.395 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 -66.45 -28.48 68.63 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.896 -1.127 . . . . 10.0 112.435 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.86 -20.17 63.42 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.708 1.14 . . . . 10.0 112.578 169.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.5 mt -116.6 14.09 15.39 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 127.325 2.25 . . . . 10.0 113.295 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 57.79 24.47 53.66 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.765 1.174 . . . . 10.0 115.106 174.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.6 mm -52.85 -42.63 90.77 Favored Pre-proline 0 CA--C 1.556 1.188 0 CA-C-N 118.96 1.38 . . . . 10.0 112.742 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.17 -40.47 84.63 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.56 2.173 . . . . 10.0 115.323 175.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -68.36 -45.9 71.56 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.304 -0.872 . . . . 10.0 110.914 173.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.53 -30.86 70.01 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.305 1.442 . . . . 10.0 112.473 177.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.481 1.107 0 C-N-CA 126.114 1.766 . . . . 10.0 110.308 169.187 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.224 -0.283 0 N-CA-C 106.991 -1.485 . . . . 10.0 106.991 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.767 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.1 OUTLIER -89.72 -12.12 9.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 124.46 1.104 . . . . 10.0 111.351 -168.789 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 31.9 p -105.86 5.07 0.08 OUTLIER Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 118.555 2.798 . . . . 10.0 118.555 -172.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -65.65 -19.49 59.88 Favored 'Trans proline' 0 CA--C 1.547 1.162 0 CA-C-N 125.96 3.164 . . . . 10.0 112.997 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 15.4 p -79.43 -52.56 7.9 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.664 1.586 . . . . 10.0 111.229 169.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.17 -29.96 61.57 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.342 1.457 . . . . 10.0 113.525 173.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.0 tp -54.53 -29.11 49.7 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.585 1.554 . . . . 10.0 112.26 169.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -92.17 -60.24 1.9 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.53 1.132 . . . . 10.0 109.374 169.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.44 -47.2 28.31 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 115.696 1.739 . . . . 10.0 115.696 -169.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 tp -70.64 -36.21 73.3 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.804 1.184 . . . . 10.0 110.575 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 tp -54.25 -59.02 5.23 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.376 1.07 . . . . 10.0 109.714 169.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -50.08 -47.57 53.61 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 126.228 1.811 . . . . 10.0 112.094 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . 0.413 ' CG2' ' HA ' ' B' ' 76' ' ' VAL . 1.1 m -60.75 -19.92 60.15 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 127.076 2.15 . . . . 10.0 115.303 -176.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.568 HD22 HD12 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -117.01 -18.34 10.13 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 124.304 1.003 . . . . 10.0 113.468 169.81 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -29.76 67.71 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 117.691 -1.147 . . . . 10.0 112.635 170.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 12.7 p -87.75 148.07 42.85 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 124.767 1.227 . . . . 10.0 108.068 168.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -62.64 122.83 11.33 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.332 2.021 . . . . 10.0 115.6 -168.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 43.8 p -56.88 16.71 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 130.542 3.537 . . . . 10.0 116.075 173.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 14.7 t -86.31 -74.12 0.06 OUTLIER Pre-proline 0 CA--C 1.543 0.681 0 C-N-CA 126.42 1.888 . . . . 10.0 108.421 169.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.49 -27.64 22.73 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 CA-C-N 121.721 1.65 . . . . 10.0 111.149 169.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -80.09 57.8 2.79 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 125.895 1.678 . . . . 10.0 111.544 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -174.92 0.08 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 130.104 3.362 . . . . 10.0 114.298 -174.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -53.09 -59.64 4.29 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 125.913 1.685 . . . . 10.0 113.852 -174.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -53.63 -48.0 69.74 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 118.676 -0.678 . . . . 10.0 112.746 -169.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -67.13 -28.12 67.88 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 117.185 -1.388 . . . . 10.0 113.621 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.413 ' HA ' ' CG2' ' B' ' 63' ' ' THR . 2.5 t -72.83 -52.41 22.8 Favored 'Isoleucine or valine' 0 C--N 1.344 0.348 0 C-N-CA 118.446 -1.302 . . . . 10.0 107.933 170.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -37.4 80.43 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.737 0.815 . . . . 10.0 111.705 -172.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -59.17 -36.98 76.27 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.19 1.796 . . . . 10.0 113.712 171.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 17.2 mt -90.22 -35.15 7.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 119.855 1.207 . . . . 10.0 109.934 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 6.8 mt -46.89 -57.05 5.33 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.902 2.081 . . . . 10.0 110.334 168.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -8.09 17.98 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.344 1.238 . . . . 10.0 114.344 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 28.5 p -83.21 -10.84 58.36 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.784 1.401 . . . . 10.0 114.784 170.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -137.01 74.27 50.58 Favored Pre-proline 0 C--N 1.324 -0.518 0 C-N-CA 123.371 0.668 . . . . 10.0 111.562 174.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -44.37 -33.68 6.53 Favored 'Trans proline' 0 CA--C 1.542 0.902 1 C-N-CA 126.281 4.654 . . . . 10.0 116.071 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -69.63 -42.96 73.6 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 120.996 -1.065 . . . . 10.0 112.852 173.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tt -64.53 -39.85 94.53 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.711 0.805 . . . . 10.0 110.148 169.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -48.1 80.95 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.294 1.437 . . . . 10.0 112.912 175.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.64 -46.82 88.87 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.253 -0.88 . . . . 10.0 111.779 171.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.46 79.19 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.998 0.74 . . . . 10.0 112.998 175.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -58.74 -60.6 3.57 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 125.185 1.394 . . . . 10.0 110.302 170.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 82.5 mt -50.66 -46.84 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 118.769 0.713 . . . . 10.0 110.926 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -58.06 -60.61 3.47 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.056 1.742 . . . . 10.0 112.546 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -35.22 77.74 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.627 1.103 . . . . 10.0 110.98 -176.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . 0.401 ' HE ' ' CG ' ' A' ' 29' ' ' ASP . 25.1 mmm180 -55.94 -49.23 74.07 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.454 -1.404 . . . . 10.0 110.802 169.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.0 m -63.49 -45.11 92.21 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 119.111 -0.471 . . . . 10.0 111.622 176.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.52 87.13 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.024 0.93 . . . . 10.0 112.593 176.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -48.46 -57.64 5.82 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 124.942 1.297 . . . . 10.0 109.494 169.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -56.74 -59.94 4.29 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 118.348 -0.834 . . . . 10.0 112.581 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.474 0.772 0 CA-C-N 120.27 1.395 . . . . 10.0 113.54 -175.164 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.499 ' HA ' HD12 ' A' ' 9' ' ' LEU . 7.8 tt0 . . . . . 0 CA--C 1.512 -0.485 0 CA-C-O 117.565 -1.207 . . . . 10.0 112.541 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -56.65 -36.51 69.6 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 120.596 1.543 . . . . 10.0 112.502 -170.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.36 -44.4 75.3 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.772 0.715 . . . . 10.0 112.737 171.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 6' ' ' GLU . 5.2 mt -61.01 -45.48 94.66 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 125.706 1.602 . . . . 10.0 110.198 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.31 -50.51 69.75 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 130.028 3.331 . . . . 10.0 110.351 176.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -57.68 -51.92 67.57 Favored 'General case' 0 C--N 1.344 0.34 0 N-CA-C 113.961 1.097 . . . . 10.0 113.961 173.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -64.54 -32.02 73.48 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-N 119.529 1.059 . . . . 10.0 112.53 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.6 tp -75.94 -43.58 44.18 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.183 0.901 . . . . 10.0 111.418 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -68.88 -30.93 69.54 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.907 1.231 . . . . 10.0 111.157 176.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.5 m -63.9 -50.55 68.3 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 117.485 -1.245 . . . . 10.0 110.234 169.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.489 HD22 HD12 ' B' ' 61' ' ' LEU . 4.1 tp -51.01 -52.8 39.26 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.675 1.125 . . . . 10.0 111.249 173.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.718 HD13 HD22 ' B' ' 64' ' ' LEU . 1.7 mm? -62.32 -22.33 65.97 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.832 1.049 . . . . 10.0 113.832 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.431 ' HA ' HH11 ' B' ' 94' ' ' ARG . 2.5 m -120.37 15.21 12.13 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.037 1.125 . . . . 10.0 114.037 -168.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -55.82 -0.24 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 130.756 3.622 . . . . 10.0 117.727 -169.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.8 p 111.31 -25.35 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.228 1 C-N-CA 134.442 5.097 . . . . 10.0 111.906 -175.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -61.31 157.47 16.42 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 123.523 1.63 . . . . 10.0 113.661 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -146.82 -1.01 0.7 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.121 2.168 . . . . 10.0 113.872 170.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 m -47.07 -48.84 22.43 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.741 2.016 . . . . 10.0 116.043 -168.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.66 -14.11 5.38 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 125.013 1.292 . . . . 10.0 112.655 169.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.557 HD11 HD21 ' B' ' 64' ' ' LEU . 4.0 mt -59.46 -24.63 63.71 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 121.653 -0.91 . . . . 10.0 110.878 169.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -41.99 -43.25 3.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.814 2.045 . . . . 10.0 114.715 170.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.16 -52.25 63.17 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.768 0.827 . . . . 10.0 112.603 172.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.1 mm -67.93 -28.34 40.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.184 1.394 . . . . 10.0 109.241 -174.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.531 ' HA ' HD12 ' A' ' 34' ' ' ILE . 75.4 m-20 -70.87 -53.91 13.45 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.885 1.674 . . . . 10.0 110.92 172.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 ptt-85 -63.26 -34.17 77.08 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 117.842 -1.075 . . . . 10.0 112.396 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.9 -20.54 37.81 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.288 1.035 . . . . 10.0 113.782 175.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 mt -117.46 12.25 14.12 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.494 1.518 . . . . 10.0 111.715 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.14 11.91 64.69 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 124.251 0.929 . . . . 10.0 115.262 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 29' ' ' ASP 0.279 33.2 mt -50.13 -49.68 74.13 Favored Pre-proline 0 CA--C 1.547 0.857 0 CA-C-N 118.952 1.376 . . . . 10.0 113.771 -173.749 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -59.85 -26.1 81.31 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 122.543 2.162 . . . . 10.0 114.702 174.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -79.29 -37.71 37.1 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.164 -0.96 . . . . 10.0 111.72 172.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.4 mt -59.47 -30.12 68.3 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.332 0.515 . . . . 10.0 111.71 170.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 53.4 t . . . . . 0 N--CA 1.475 0.796 0 C-N-CA 125.761 1.624 . . . . 10.0 110.52 169.299 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.9 m . . . . . 0 N--CA 1.464 0.244 0 N-CA-C 104.748 -2.316 . . . . 10.0 104.748 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.503 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.1 OUTLIER -89.74 -22.66 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 109.393 -0.595 . . . . 10.0 109.393 -171.182 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 50.3 p -88.84 1.36 0.06 OUTLIER Pre-proline 0 N--CA 1.465 0.282 0 N-CA-C 119.828 3.27 . . . . 10.0 119.828 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -64.11 -19.25 65.95 Favored 'Trans proline' 0 CA--C 1.549 1.274 0 CA-C-N 127.294 3.641 . . . . 10.0 113.346 174.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.1 p -81.01 -53.1 6.72 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.498 1.519 . . . . 10.0 111.397 169.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.77 -29.03 67.91 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.382 1.473 . . . . 10.0 111.903 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 20.6 tp -56.59 -22.05 31.03 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.967 2.507 . . . . 10.0 111.229 169.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -98.77 -58.81 1.86 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.401 1.08 . . . . 10.0 108.71 168.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.09 -39.05 34.73 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 117.537 2.421 . . . . 10.0 117.537 -168.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 tp -79.07 -34.63 43.5 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.428 1.013 . . . . 10.0 109.611 174.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.489 HD12 HD22 ' A' ' 16' ' ' LEU . 22.1 tp -61.65 -51.88 66.64 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 117.549 -1.215 . . . . 10.0 111.326 174.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 41.2 ptt85 -58.12 -41.25 83.22 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 120.611 1.551 . . . . 10.0 111.071 171.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 7.8 m -58.33 -33.35 69.41 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.916 1.686 . . . . 10.0 113.64 -176.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.718 HD22 HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -105.59 -12.69 15.85 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.238 1.199 . . . . 10.0 114.238 173.096 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -58.58 -42.77 88.8 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 106.808 -1.553 . . . . 10.0 106.808 167.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 14.1 p -73.01 112.34 15.06 Favored Pre-proline 0 CA--C 1.543 0.711 0 N-CA-C 101.65 -3.463 . . . . 10.0 101.65 165.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -67.85 161.99 41.57 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 121.558 1.505 . . . . 10.0 115.519 -168.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 16.3 p -57.36 -23.91 51.95 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 115.757 1.762 . . . . 10.0 115.757 -169.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 32.5 t -46.7 -67.11 0.42 Allowed Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.604 1.161 . . . . 10.0 113.93 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.41 -20.78 18.0 Favored 'Trans proline' 0 CA--C 1.552 1.385 0 C-N-CA 121.863 1.709 . . . . 10.0 113.0 169.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -89.9 18.25 5.91 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.341 1.856 . . . . 10.0 114.653 -172.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.44 4.34 0.38 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.404 1.881 . . . . 10.0 115.254 -175.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -105.34 175.99 5.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 124.274 1.988 . . . . 10.0 115.783 -169.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -48.01 -13.52 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 128.137 2.575 . . . . 10.0 116.118 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -68.28 -22.48 64.74 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 121.425 1.92 . . . . 10.0 113.286 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -73.89 -53.22 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 107.453 -1.314 . . . . 10.0 107.453 169.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.448 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 0.6 OUTLIER -59.44 -38.14 79.92 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.888 1.275 . . . . 10.0 111.25 -173.074 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -62.79 -28.66 70.14 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.98 1.312 . . . . 10.0 113.584 175.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 23.0 mt -90.14 -45.3 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-N 119.98 1.264 . . . . 10.0 109.839 172.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 11.4 mt -39.8 -59.6 1.14 Allowed 'General case' 0 C--N 1.344 0.355 0 C-N-CA 127.077 2.151 . . . . 10.0 112.891 172.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -13.19 52.96 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 114.28 1.215 . . . . 10.0 114.28 -173.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 52.2 p -82.25 -4.91 58.05 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.129 1.159 . . . . 10.0 114.129 173.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -134.16 82.54 47.58 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 119.211 0.914 . . . . 10.0 110.275 -174.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -49.64 -44.68 34.64 Favored 'Trans proline' 0 CA--C 1.535 0.542 0 C-N-CA 123.629 2.886 . . . . 10.0 115.516 -172.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -63.21 -45.69 90.5 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.445 0.535 . . . . 10.0 112.445 175.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.49 -35.61 80.69 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 118.478 -0.772 . . . . 10.0 110.745 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -49.21 74.06 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 120.009 1.277 . . . . 10.0 112.135 175.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.54 98.9 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.177 -0.952 . . . . 10.0 112.008 173.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.12 -37.26 86.51 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 118.21 -0.9 . . . . 10.0 112.856 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -57.8 -59.6 4.97 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 126.2 1.8 . . . . 10.0 108.361 169.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.37 -51.29 42.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 119.475 1.034 . . . . 10.0 110.719 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -61.0 2.95 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.654 1.182 . . . . 10.0 111.796 178.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -32.62 70.4 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 117.589 -1.196 . . . . 10.0 111.738 -173.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . 0.431 HH11 ' HA ' ' A' ' 18' ' ' SER . 27.5 mmm180 -61.16 -49.86 75.5 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 121.797 2.09 . . . . 10.0 109.88 170.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.7 m -61.33 -40.06 92.81 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.618 -0.676 . . . . 10.0 111.581 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.92 -48.29 81.12 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.871 0.869 . . . . 10.0 112.462 171.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -42.2 65.48 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.673 1.189 . . . . 10.0 111.104 177.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -61.2 -59.81 4.73 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 117.782 -1.104 . . . . 10.0 111.972 172.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 26.1 m . . . . . 0 N--CA 1.478 0.932 0 CA-C-N 120.366 1.439 . . . . 10.0 113.181 -176.95 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.464 ' OE2' HD12 ' B' ' 52' ' ' ILE . 17.5 tt0 . . . . . 0 N--CA 1.443 -0.815 0 CA-C-O 118.054 -0.974 . . . . 10.0 111.329 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 mmm-85 -59.54 -38.97 82.46 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 119.071 -1.052 . . . . 10.0 112.798 -169.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.86 -49.18 73.77 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.773 0.829 . . . . 10.0 112.784 171.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.533 HD22 ' C ' ' A' ' 9' ' ' LEU 0.392 0.0 OUTLIER -71.97 -32.4 67.22 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 120.08 1.309 . . . . 10.0 113.16 -178.588 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.6 tp -63.11 -46.9 85.12 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 128.874 2.869 . . . . 10.0 110.097 170.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -58.16 -54.14 50.39 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.423 0.898 . . . . 10.0 113.423 172.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.493 ' HG3' ' HA ' ' A' ' 9' ' ' LEU . 3.9 pp0? -63.71 -29.33 70.57 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.342 0.974 . . . . 10.0 113.113 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.0 tp -75.06 -40.17 60.44 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.921 0.782 . . . . 10.0 111.868 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -73.23 -26.23 61.05 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.662 1.119 . . . . 10.0 111.952 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.4 m -63.19 -51.4 66.49 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.381 0.991 . . . . 10.0 110.554 169.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.5 tp -49.46 -53.65 21.89 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.704 0.802 . . . . 10.0 110.461 171.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.603 HD22 ' CE1' ' B' ' 90' ' ' PHE . 6.2 mt -65.17 -4.6 5.23 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.098 1.518 . . . . 10.0 115.098 176.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.586 ' HB2' ' HE3' ' B' ' 97' ' ' LYS . 84.8 p -138.61 15.64 2.73 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 119.523 -1.986 . . . . 10.0 114.626 -172.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -53.5 -6.83 0.08 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 131.174 3.79 . . . . 10.0 116.736 -177.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.7 p 117.56 -17.61 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.432 1 C-N-CA 135.167 5.387 . . . . 10.0 113.341 178.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -66.76 149.86 49.94 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 122.551 1.167 . . . . 10.0 113.497 173.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.64 -3.13 1.69 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.436 2.294 . . . . 10.0 113.805 170.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.7 m -50.17 -53.65 26.31 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 126.737 2.015 . . . . 10.0 113.669 -169.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.87 -25.04 8.71 Favored Glycine 0 CA--C 1.524 0.607 0 CA-C-O 119.482 -0.621 . . . . 10.0 113.776 171.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.28 -24.23 67.58 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 117.914 -1.041 . . . . 10.0 112.357 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -47.28 -42.97 21.91 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.329 1.052 . . . . 10.0 111.093 168.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.8 -51.02 68.72 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.776 1.171 . . . . 10.0 112.162 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.0 mm -59.74 -40.66 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 123.915 0.886 . . . . 10.0 109.768 176.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -74.52 -39.1 62.6 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 124.578 1.151 . . . . 10.0 110.732 -173.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -68.12 -34.82 77.08 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 119.686 1.13 . . . . 10.0 112.071 169.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.22 -20.02 62.32 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.295 0.952 . . . . 10.0 113.174 170.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.0 mt -108.36 10.88 27.46 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 125.811 1.644 . . . . 10.0 112.056 174.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.27 7.41 51.63 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 125.393 1.473 . . . . 10.0 115.224 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.264 59.5 mt -53.16 -46.04 97.98 Favored Pre-proline 0 CA--C 1.541 0.607 0 C-N-CA 126.032 1.733 . . . . 10.0 115.157 -170.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -53.52 -40.77 77.67 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 122.585 2.19 . . . . 10.0 113.62 170.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -75.88 -25.31 56.0 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.641 1.109 . . . . 10.0 113.054 174.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.28 -33.35 75.11 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 120.037 1.289 . . . . 10.0 111.296 169.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.591 HG21 ' HB2' ' B' ' 98' ' ' TYR . 91.7 t . . . . . 0 N--CA 1.476 0.833 0 C-N-CA 124.485 1.114 . . . . 10.0 110.078 169.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 101.054 -3.684 . . . . 10.0 101.054 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.489 ' H ' HD12 ' B' ' 52' ' ' ILE . 1.5 mp -89.6 -15.25 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 119.53 1.059 . . . . 10.0 110.583 -169.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 3.5 p -98.21 6.09 0.07 OUTLIER Pre-proline 0 CA--C 1.543 0.698 0 N-CA-C 118.821 2.897 . . . . 10.0 118.821 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -63.12 -18.8 66.81 Favored 'Trans proline' 0 CA--C 1.551 1.362 0 CA-C-N 126.585 3.388 . . . . 10.0 113.269 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.4 p -78.5 -53.91 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 125.942 1.697 . . . . 10.0 111.175 169.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.9 -26.78 62.63 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.255 1.422 . . . . 10.0 112.562 172.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.51 -22.87 62.24 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.595 1.958 . . . . 10.0 112.317 170.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -94.37 -59.96 1.83 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.248 1.019 . . . . 10.0 108.759 169.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.99 -53.77 9.33 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.766 1.395 . . . . 10.0 114.766 -169.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.0 tp -68.23 -34.77 76.85 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.527 -1.358 . . . . 10.0 110.345 178.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.54 -60.65 3.14 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 117.606 -1.188 . . . . 10.0 110.471 170.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -35.49 70.6 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 120.327 1.421 . . . . 10.0 112.197 178.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . 0.438 HG21 ' HA ' ' B' ' 76' ' ' VAL . 1.2 m -62.63 -20.96 65.31 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.447 1.899 . . . . 10.0 115.285 -179.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -117.52 -19.34 9.48 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 124.817 1.323 . . . . 10.0 113.635 172.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -61.63 -40.72 95.88 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 107.71 -1.218 . . . . 10.0 107.71 167.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 10.3 p -68.46 127.94 93.14 Favored Pre-proline 0 CA--C 1.546 0.805 0 N-CA-C 105.515 -2.032 . . . . 10.0 105.515 167.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.03 151.88 45.28 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 121.496 1.464 . . . . 10.0 114.982 -168.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 1.1 m -58.37 15.67 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.751 1 C-N-CA 131.885 4.074 . . . . 10.0 116.024 -170.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.2 t -76.52 -81.8 0.04 OUTLIER Pre-proline 0 CA--C 1.539 0.528 0 C-N-CA 124.908 1.283 . . . . 10.0 110.718 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -72.52 -24.03 19.4 Favored 'Trans proline' 0 C--N 1.359 1.12 0 CA-C-N 122.47 1.918 . . . . 10.0 111.549 169.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -68.36 -3.99 13.0 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 125.601 1.56 . . . . 10.0 113.87 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -20.78 63.65 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.127 1.771 . . . . 10.0 112.274 168.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -59.27 160.26 6.74 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 122.511 1.148 . . . . 10.0 113.05 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -51.22 -2.44 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 128.928 2.891 . . . . 10.0 115.989 171.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . 0.423 ' NE2' HG23 ' B' ' 63' ' ' THR . 2.7 pp0? -60.41 -31.07 70.03 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 119.879 1.218 . . . . 10.0 113.012 169.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.438 ' HA ' HG21 ' B' ' 63' ' ' THR . 2.5 t -67.84 -52.61 38.06 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 C-N-CA 119.107 -1.037 . . . . 10.0 108.426 171.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.77 -43.49 72.84 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.2 1.4 . . . . 10.0 110.906 -175.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -59.35 -33.91 71.73 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.564 1.146 . . . . 10.0 113.351 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 7.6 mt -91.0 -36.77 8.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 119.032 0.833 . . . . 10.0 111.545 175.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.2 mt -46.3 -45.45 17.41 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 127.502 2.321 . . . . 10.0 112.864 174.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -59.86 -14.51 15.52 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.838 1.421 . . . . 10.0 114.838 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 90.0 p -73.62 -56.17 5.35 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.737 1.384 . . . . 10.0 114.737 -172.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -89.47 105.04 9.34 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 119.414 1.006 . . . . 10.0 108.916 170.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -60.98 -31.91 91.85 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 122.847 2.365 . . . . 10.0 111.949 -174.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -72.99 -41.55 64.19 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.99 0.916 . . . . 10.0 110.521 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.17 -41.49 92.97 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.408 1.004 . . . . 10.0 110.383 169.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -50.48 73.47 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 175.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.89 99.7 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 112.335 0.494 . . . . 10.0 112.335 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.7 76.85 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.84 1.256 . . . . 10.0 110.993 175.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.603 ' CE1' HD22 ' A' ' 17' ' ' LEU . 75.8 t80 -49.2 -60.33 2.9 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.587 1.555 . . . . 10.0 109.267 170.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 85.9 mt -50.95 -55.05 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 119.555 1.071 . . . . 10.0 111.555 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.405 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.0 OUTLIER -56.3 -57.6 11.56 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.844 0.858 . . . . 10.0 111.724 -179.203 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -67.17 -39.95 86.55 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.634 1.573 . . . . 10.0 112.408 -175.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -61.5 -44.48 96.99 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 119.911 1.232 . . . . 10.0 110.958 172.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 3.1 m -59.51 -49.93 75.88 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 118.923 -0.56 . . . . 10.0 110.099 176.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.43 -45.89 69.6 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 118.412 -0.804 . . . . 10.0 111.663 170.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . 0.586 ' HE3' ' HB2' ' A' ' 18' ' ' SER . 5.9 tppt? -50.22 -19.79 0.88 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.145 1.778 . . . . 10.0 115.03 177.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' TYR . . . . . 0.591 ' HB2' HG21 ' A' ' 38' ' ' VAL . 20.3 m-85 -103.83 -14.35 16.07 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 116.031 1.863 . . . . 10.0 116.031 175.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . 0.488 14.1 m . . . . . 0 C--N 1.344 0.351 0 CA-C-N 120.513 1.506 . . . . 10.0 113.242 -170.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 . . . . . 0 CA--C 1.513 -0.46 0 CA-C-O 116.605 -1.664 . . . . 10.0 112.088 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.526 ' HE ' ' CG ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -59.52 -51.98 67.53 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 120.584 1.538 . . . . 10.0 112.394 -177.084 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.44 -39.86 92.58 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.661 -0.685 . . . . 10.0 112.452 176.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.426 HD22 HD13 ' B' ' 57' ' ' LEU . 77.4 mt -63.25 -52.82 60.59 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 118.519 0.6 . . . . 10.0 110.657 176.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.49 HD23 HH22 ' A' ' 7' ' ' ARG . 45.3 tp -60.17 -45.64 92.4 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 125.148 1.379 . . . . 10.0 110.28 178.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.526 ' CG ' ' HE ' ' A' ' 7' ' ' ARG . 81.5 m-20 -59.01 -51.44 70.06 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.492 0.587 . . . . 10.0 112.206 177.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.412 HE21 ' C ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -70.08 -24.47 63.23 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 118.042 -0.98 . . . . 10.0 113.247 178.715 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.87 -47.52 25.14 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 120.167 1.348 . . . . 10.0 111.211 172.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -65.86 -30.16 70.73 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 120.681 1.582 . . . . 10.0 111.095 176.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.6 m -59.83 -55.43 34.28 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.8 0.84 . . . . 10.0 109.209 169.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tp -50.88 -55.74 15.58 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.736 0.814 . . . . 10.0 112.236 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.639 HD13 HD22 ' B' ' 64' ' ' LEU . 2.6 mm? -65.97 -17.67 64.83 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.607 1.336 . . . . 10.0 114.607 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 p -125.07 11.21 8.22 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 115.004 1.483 . . . . 10.0 115.004 -172.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -47.04 -5.62 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.873 1 C-N-CA 132.596 4.359 . . . . 10.0 118.585 -172.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.1 p 112.08 -18.96 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.08 1 C-N-CA 134.462 5.105 . . . . 10.0 112.03 -171.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -67.19 156.28 36.67 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 121.544 1.975 . . . . 10.0 113.918 174.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.67 -1.16 0.8 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.084 2.154 . . . . 10.0 113.679 169.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 m -47.37 -42.81 22.5 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 116.79 2.144 . . . . 10.0 116.79 -167.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.27 -15.37 3.41 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 124.273 0.94 . . . . 10.0 113.69 168.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.709 HD11 HD21 ' B' ' 64' ' ' LEU . 4.9 mt -59.88 -24.79 64.55 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 123.702 0.801 . . . . 10.0 111.033 169.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -44.02 -43.52 6.77 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.076 1.751 . . . . 10.0 114.428 170.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -66.8 -49.06 67.03 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.944 0.898 . . . . 10.0 112.025 174.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 mm -61.92 -38.47 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 124.265 1.026 . . . . 10.0 109.77 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -62.4 -53.64 52.04 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 125.253 1.421 . . . . 10.0 109.931 175.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.9 ptt-85 -67.14 -35.01 78.8 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.191 0.905 . . . . 10.0 112.778 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.82 -20.18 61.14 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.311 1.044 . . . . 10.0 113.392 172.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.8 mt -112.47 16.4 19.86 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.761 1.624 . . . . 10.0 111.724 174.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.78 11.41 49.72 Favored Glycine 0 C--N 1.343 0.971 0 C-N-CA 125.363 1.459 . . . . 10.0 115.3 175.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.264 20.1 mt -55.08 -43.0 98.83 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-N 118.856 1.328 . . . . 10.0 113.406 -170.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -55.99 -34.29 91.81 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.849 2.366 . . . . 10.0 115.081 169.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.63 -46.47 63.26 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 120.914 -1.116 . . . . 10.0 110.33 169.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.8 mt -52.45 -38.25 58.84 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.35 0.977 . . . . 10.0 111.946 174.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.1 t . . . . . 0 N--CA 1.468 0.445 0 C-N-CA 124.718 1.207 . . . . 10.0 110.991 169.779 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 16.8 m . . . . . 0 CA--C 1.52 -0.186 0 N-CA-C 105.179 -2.156 . . . . 10.0 105.179 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.478 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.2 OUTLIER -89.58 -15.06 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 109.142 -0.688 . . . . 10.0 109.142 -170.417 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 34.1 p -94.0 5.75 0.06 OUTLIER Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 119.85 3.278 . . . . 10.0 119.85 -175.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -64.18 -20.16 66.82 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 CA-C-N 126.248 3.267 . . . . 10.0 113.011 173.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 16.2 p -81.41 -50.93 8.87 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.085 1.754 . . . . 10.0 111.744 169.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.8 -26.86 67.6 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.867 0.867 . . . . 10.0 112.9 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.426 HD13 HD22 ' A' ' 9' ' ' LEU . 27.1 tp -60.13 -24.33 64.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 127.127 2.171 . . . . 10.0 111.288 169.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -90.97 -60.01 2.02 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 169.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.62 -40.05 17.93 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 118.8 2.889 . . . . 10.0 118.8 -167.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 14.5 tp -77.78 -35.65 51.31 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.088 1.313 . . . . 10.0 109.512 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.72 -52.35 63.59 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.061 1.344 . . . . 10.0 110.705 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 39.5 ptt85 -60.13 -35.74 75.94 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 121.318 1.872 . . . . 10.0 112.297 172.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 5.2 m -62.65 -25.38 68.1 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.855 1.662 . . . . 10.0 113.911 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.709 HD21 HD11 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -114.64 -13.82 12.09 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 114.406 1.261 . . . . 10.0 114.406 170.851 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -61.86 -37.39 84.33 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 106.363 -1.718 . . . . 10.0 106.363 167.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 8.9 p -75.61 110.49 10.77 Favored Pre-proline 0 CA--C 1.548 0.866 0 N-CA-C 103.077 -2.934 . . . . 10.0 103.077 166.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.18 155.08 41.84 Favored 'Trans proline' 0 C--N 1.353 0.815 0 N-CA-C 117.459 2.061 . . . . 10.0 117.459 -168.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 45.3 p -60.11 -24.57 64.76 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 114.173 -1.376 . . . . 10.0 113.763 -169.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 29.2 t -49.26 -65.8 0.74 Allowed Pre-proline 0 CA--C 1.55 0.96 0 CA-C-O 117.24 -1.362 . . . . 10.0 113.327 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.83 -23.74 25.57 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 CA-C-N 122.327 1.867 . . . . 10.0 112.972 169.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -89.8 17.28 6.8 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.938 1.695 . . . . 10.0 113.722 -171.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.33 13.95 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.947 2.099 . . . . 10.0 115.301 -175.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -117.28 176.3 5.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 116.563 2.061 . . . . 10.0 116.563 -169.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -49.73 -11.95 0.06 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.203 2.201 . . . . 10.0 115.947 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -66.48 -25.79 66.88 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-N 121.529 1.968 . . . . 10.0 113.61 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.49 -51.94 37.23 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 N-CA-C 107.774 -1.195 . . . . 10.0 107.774 169.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.05 -36.63 82.21 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.186 1.395 . . . . 10.0 111.369 -172.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -64.62 -30.61 71.63 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.014 1.725 . . . . 10.0 113.352 176.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.6 mt -89.78 -43.85 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.817 0.735 . . . . 10.0 109.914 174.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 mt -40.28 -55.69 2.13 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 127.331 2.252 . . . . 10.0 111.469 173.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -57.05 -23.22 44.95 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 114.648 1.351 . . . . 10.0 114.648 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 60.5 p -79.26 -7.38 58.23 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.985 0.914 . . . . 10.0 113.466 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -132.13 85.72 49.0 Favored Pre-proline 0 CA--C 1.535 0.39 0 O-C-N 120.75 -1.219 . . . . 10.0 108.901 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -51.12 -45.62 35.72 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 124.021 3.147 . . . . 10.0 114.833 -170.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -62.02 -44.58 96.4 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 112.918 0.711 . . . . 10.0 112.918 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.76 -40.77 98.3 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 125.332 1.453 . . . . 10.0 110.367 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -52.93 63.57 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.127 0.971 . . . . 10.0 113.359 171.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.34 -43.73 98.14 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.536 0.607 . . . . 10.0 112.203 176.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.58 92.96 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.933 0.893 . . . . 10.0 112.703 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -56.59 -60.22 3.86 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 124.44 1.096 . . . . 10.0 109.237 169.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 63.2 mt -51.17 -53.56 14.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 118.615 0.643 . . . . 10.0 110.838 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.461 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.0 OUTLIER -58.15 -60.16 4.19 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 123.47 0.708 . . . . 10.0 112.345 -179.861 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -32.95 70.67 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 117.01 -1.472 . . . . 10.0 111.737 -174.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -57.3 -48.91 77.73 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 121.542 1.974 . . . . 10.0 110.85 169.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.6 m -61.18 -44.2 97.67 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.422 0.689 . . . . 10.0 110.581 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.96 -44.56 97.14 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.598 0.759 . . . . 10.0 112.948 172.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.54 -48.26 48.51 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.826 2.051 . . . . 10.0 109.89 173.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -59.12 -61.14 2.86 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-O 118.694 -0.67 . . . . 10.0 112.137 175.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 113.779 1.029 . . . . 10.0 113.779 -174.69 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 . . . . . 0 C--O 1.226 -0.14 0 CA-C-O 117.212 -1.375 . . . . 10.0 111.988 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -64.79 -39.68 94.0 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 119.659 1.118 . . . . 10.0 111.722 -173.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.01 -42.95 75.73 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.721 0.809 . . . . 10.0 111.207 174.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.421 HD22 HD13 ' B' ' 57' ' ' LEU . 65.3 mt -62.31 -43.08 99.65 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.093 0.957 . . . . 10.0 111.784 176.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 tp -58.88 -50.11 75.23 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 128.413 2.685 . . . . 10.0 111.019 171.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -59.22 -51.83 68.3 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 177.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -65.43 -26.89 68.17 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 177.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 mt -75.56 -47.55 26.26 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 119.56 1.073 . . . . 10.0 113.751 172.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -66.36 -27.51 67.94 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 120.709 1.595 . . . . 10.0 111.226 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.4 m -71.14 -43.62 67.2 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 117.149 -1.405 . . . . 10.0 111.693 169.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' B' ' 61' ' ' LEU . 6.1 tp -50.97 -53.71 30.69 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 121.267 1.849 . . . . 10.0 110.331 169.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.675 HD13 HD22 ' B' ' 64' ' ' LEU . 2.4 mm? -64.36 -15.49 60.51 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.248 1.203 . . . . 10.0 114.248 178.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.1 t -123.58 16.52 9.59 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 120.068 -1.645 . . . . 10.0 113.488 -173.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -52.08 -0.67 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 130.627 3.571 . . . . 10.0 117.518 -172.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.6 p 115.68 -16.73 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.104 1 C-N-CA 135.571 5.549 . . . . 10.0 112.241 178.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.86 159.72 33.29 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-O 123.7 1.714 . . . . 10.0 114.567 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -143.49 -4.86 0.86 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 127.933 2.493 . . . . 10.0 112.987 169.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.7 m -50.05 -47.77 53.28 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 127.733 2.413 . . . . 10.0 115.652 -168.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.31 -12.23 7.63 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 123.747 0.689 . . . . 10.0 113.344 169.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.437 HD11 HD21 ' B' ' 64' ' ' LEU . 4.2 mt -62.58 -22.97 66.76 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 118.251 -0.881 . . . . 10.0 112.144 169.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.06 -40.86 7.11 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.616 1.566 . . . . 10.0 114.347 169.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -59.06 -54.13 50.54 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 119.429 1.013 . . . . 10.0 112.053 170.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.0 mm -69.27 -31.88 51.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.459 0.704 . . . . 10.0 109.269 -170.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -65.18 -53.25 47.64 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.765 1.626 . . . . 10.0 110.346 171.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -64.88 -38.49 91.16 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.929 1.24 . . . . 10.0 112.192 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.41 -19.94 57.91 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.422 1.089 . . . . 10.0 113.902 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.1 mt -118.21 17.83 13.88 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.489 1.516 . . . . 10.0 111.309 176.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.91 6.48 24.81 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 126.164 1.84 . . . . 10.0 115.627 174.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.269 18.0 mt -46.6 -46.48 48.93 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 126.345 1.858 . . . . 10.0 113.99 -169.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -55.54 -28.12 63.18 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.182 2.588 . . . . 10.0 115.681 176.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -73.33 -41.15 63.83 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.683 1.583 . . . . 10.0 110.579 171.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.8 mt -57.38 -24.02 52.77 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.134 1.374 . . . . 10.0 112.885 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 N--CA 1.474 0.774 0 C-N-CA 126.269 1.828 . . . . 10.0 110.453 170.73 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 53.5 p . . . . . 0 N--CA 1.464 0.232 0 N-CA-C 108.047 -1.094 . . . . 10.0 108.047 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.64 -18.27 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 123.649 0.78 . . . . 10.0 110.537 -177.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 57.5 p -98.01 5.85 0.07 OUTLIER Pre-proline 0 C--O 1.221 -0.396 0 N-CA-C 119.135 3.013 . . . . 10.0 119.135 -175.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -66.33 -19.82 55.57 Favored 'Trans proline' 0 CA--C 1.547 1.169 0 CA-C-N 125.701 3.072 . . . . 10.0 112.722 175.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 16.1 p -80.66 -51.48 8.65 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 125.411 1.484 . . . . 10.0 110.583 169.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.0 -29.47 70.29 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.599 1.16 . . . . 10.0 112.564 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.421 HD13 HD22 ' A' ' 9' ' ' LEU . 15.9 tp -57.2 -28.83 63.2 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 127.653 2.381 . . . . 10.0 111.697 170.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -90.74 -60.48 1.91 Allowed 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.188 -0.671 . . . . 10.0 109.188 168.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.6 -37.55 27.44 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 119.329 3.085 . . . . 10.0 119.329 -167.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 tp -79.85 -38.68 32.26 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 120.151 1.341 . . . . 10.0 109.367 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.409 ' HA ' HD22 ' A' ' 16' ' ' LEU . 14.7 tp -55.82 -51.91 65.85 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 125.885 1.674 . . . . 10.0 109.742 170.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -52.74 -53.65 44.94 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 125.071 1.349 . . . . 10.0 111.173 168.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 9.0 m -54.82 -33.46 61.64 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.703 1.601 . . . . 10.0 114.491 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.675 HD22 HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -104.06 -14.51 15.89 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.935 1.087 . . . . 10.0 113.935 172.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -37.92 78.07 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-O 118.234 -0.889 . . . . 10.0 108.628 168.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 25.3 p -76.77 113.47 30.06 Favored Pre-proline 0 CA--C 1.544 0.743 0 N-CA-C 103.694 -2.706 . . . . 10.0 103.694 166.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -62.01 159.01 35.93 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 N-CA-C 118.217 2.353 . . . . 10.0 118.217 -168.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 79.3 p -56.61 -32.91 65.74 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 126.957 2.103 . . . . 10.0 113.614 -169.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.7 t -46.87 -67.34 0.4 Allowed Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 125.206 1.402 . . . . 10.0 113.811 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -68.87 -23.44 35.04 Favored 'Trans proline' 0 C--N 1.358 1.037 0 CA-C-N 121.716 1.648 . . . . 10.0 113.093 170.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -88.41 11.81 15.93 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.566 1.546 . . . . 10.0 115.018 -173.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -71.63 46.36 0.12 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.55 1.94 . . . . 10.0 114.54 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -142.56 179.17 7.13 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 123.361 1.553 . . . . 10.0 113.146 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -62.85 -5.6 2.99 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.68 1.592 . . . . 10.0 115.272 -169.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -67.55 -23.27 65.41 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 121.306 1.866 . . . . 10.0 112.85 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -72.39 -52.31 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 107.55 -1.278 . . . . 10.0 107.55 169.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.414 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 0.5 OUTLIER -59.32 -37.92 79.01 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.466 1.106 . . . . 10.0 111.234 -174.261 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -62.43 -30.2 71.05 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.323 1.449 . . . . 10.0 113.861 175.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.2 mt -90.26 -43.6 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 118.935 0.789 . . . . 10.0 109.829 174.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.414 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 10.6 mt -40.82 -60.05 1.27 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.791 2.036 . . . . 10.0 111.248 172.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -14.07 61.07 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 114.449 1.277 . . . . 10.0 114.449 -173.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 48.0 p -77.19 -7.68 56.26 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.767 1.025 . . . . 10.0 113.767 173.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -131.21 84.44 57.01 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 125.013 1.325 . . . . 10.0 108.099 -175.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -49.36 -48.27 19.32 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 124.65 3.566 . . . . 10.0 115.066 -169.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -63.67 -46.13 86.96 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.519 1.528 . . . . 10.0 112.14 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.11 -42.41 94.65 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.473 0.709 . . . . 10.0 109.948 174.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 4.4 ttt -63.1 -47.59 82.16 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.514 0.726 . . . . 10.0 112.119 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.2 95.86 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.467 0.576 . . . . 10.0 112.103 174.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.21 -45.05 92.13 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 118.667 -0.682 . . . . 10.0 111.655 174.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -52.6 -58.59 6.3 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.9 1.68 . . . . 10.0 108.573 171.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 88.8 mt -52.88 -53.03 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 119.055 0.843 . . . . 10.0 110.458 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -60.07 -59.13 5.91 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.856 0.863 . . . . 10.0 112.2 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -70.42 -34.49 72.57 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.956 1.302 . . . . 10.0 112.382 -173.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -59.3 -43.66 92.6 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 121.262 1.846 . . . . 10.0 109.706 169.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.0 m -60.75 -43.0 98.52 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-O 119.149 -0.453 . . . . 10.0 111.984 172.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.9 -50.48 72.39 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.603 1.161 . . . . 10.0 112.468 173.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -49.22 -47.09 46.55 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.206 1.803 . . . . 10.0 110.896 170.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -65.6 -55.99 14.66 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.927 1.084 . . . . 10.0 113.927 175.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 N--CA 1.48 1.05 0 CA-C-N 120.63 1.559 . . . . 10.0 113.936 -173.499 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.4 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 1.4 mm-40 . . . . . 0 C--O 1.217 -0.614 0 CA-C-O 117.866 -1.064 . . . . 10.0 111.327 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -40.79 -45.14 2.39 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 115.882 1.808 . . . . 10.0 115.882 -168.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.11 -45.29 74.09 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 120.579 1.536 . . . . 10.0 114.204 174.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 6' ' ' GLU 0.292 0.0 OUTLIER -76.84 -31.02 56.59 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.867 1.212 . . . . 10.0 111.645 178.72 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.81 -47.39 83.66 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 127.876 2.47 . . . . 10.0 109.819 169.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -58.03 -52.8 64.01 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-O 117.752 -1.118 . . . . 10.0 112.742 169.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.401 HE21 ' C ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -66.54 -26.85 67.34 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 120.424 1.465 . . . . 10.0 112.954 -179.754 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.42 -45.78 36.82 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 119.878 1.217 . . . . 10.0 111.483 172.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . 0.263 4.1 p80 -68.72 -28.69 67.05 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 121.057 1.753 . . . . 10.0 111.335 177.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 m -64.88 -43.4 93.03 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.931 0.892 . . . . 10.0 110.915 169.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.433 HD22 HD12 ' B' ' 61' ' ' LEU . 6.6 tp -58.01 -54.27 48.87 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 119.884 1.22 . . . . 10.0 110.706 171.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.705 HD13 HD22 ' B' ' 64' ' ' LEU . 1.9 mm? -62.73 -19.49 63.98 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.949 1.25 . . . . 10.0 113.159 178.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.9 t -119.08 20.97 12.55 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.896 1.279 . . . . 10.0 114.314 -176.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -54.89 -15.29 1.86 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 127.237 2.215 . . . . 10.0 113.855 -175.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.307 49.4 p 121.25 -10.15 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.807 1 C-N-CA 135.169 5.387 . . . . 10.0 111.257 169.498 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -59.45 152.32 21.9 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 123.883 1.802 . . . . 10.0 112.047 170.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.15 -6.61 1.6 Allowed 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 127.192 2.197 . . . . 10.0 112.632 171.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.2 m -43.41 -57.5 3.03 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 126.666 1.986 . . . . 10.0 116.25 -168.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.31 -2.71 21.46 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 124.677 1.132 . . . . 10.0 111.881 168.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.406 HD11 HD21 ' B' ' 64' ' ' LEU . 1.1 mt -68.75 -28.32 66.69 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-O 118.039 -0.982 . . . . 10.0 111.612 169.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -55.1 -36.09 65.31 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.749 1.62 . . . . 10.0 112.589 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -65.42 -50.73 64.35 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.715 2.006 . . . . 10.0 113.082 169.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.427 HD11 HG21 ' B' ' 76' ' ' VAL . 8.8 mt -59.9 -40.71 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.684 0.794 . . . . 10.0 110.429 175.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.408 ' HA ' HD12 ' A' ' 34' ' ' ILE . 78.3 m-20 -60.1 -52.17 66.47 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.615 1.566 . . . . 10.0 110.83 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.7 ptt-85 -63.9 -38.81 92.45 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 118.17 -0.919 . . . . 10.0 112.673 173.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.63 -19.9 59.31 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.7 1.0 . . . . 10.0 113.7 174.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.2 mt -116.65 22.74 12.5 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.634 1.574 . . . . 10.0 112.567 169.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 67.36 5.07 33.65 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 125.496 1.522 . . . . 10.0 116.321 169.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 29' ' ' ASP . 5.8 mt -52.33 -47.11 93.89 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-N 119.652 1.726 . . . . 10.0 114.006 -171.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.42 -31.54 92.73 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 122.508 2.139 . . . . 10.0 113.273 174.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -73.83 -36.72 64.95 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.109 -0.995 . . . . 10.0 111.405 171.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.85 -32.61 69.59 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.741 1.155 . . . . 10.0 112.007 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.9 t . . . . . 0 CA--C 1.539 0.544 0 C-N-CA 123.86 0.864 . . . . 10.0 110.444 169.499 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 CA--C 1.533 0.311 0 N-CA-C 104.198 -2.519 . . . . 10.0 104.198 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.587 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.3 OUTLIER -90.47 -23.85 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 119.4 1.0 . . . . 10.0 111.044 -170.016 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . 0.426 ' HB3' HD22 ' B' ' 83' ' ' ASN . 13.7 p -100.14 9.04 0.06 OUTLIER Pre-proline 0 CA--C 1.544 0.738 0 N-CA-C 119.491 3.145 . . . . 10.0 119.491 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -63.69 -19.12 66.76 Favored 'Trans proline' 0 C--N 1.353 0.816 0 CA-C-N 125.647 3.052 . . . . 10.0 113.591 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 p -83.31 -48.89 9.93 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.801 1.641 . . . . 10.0 112.119 170.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.24 -31.9 61.88 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.831 1.652 . . . . 10.0 112.565 169.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 39.4 tp -55.73 -25.89 42.66 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.262 1.825 . . . . 10.0 112.033 169.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -90.97 -60.37 1.93 Allowed 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 109.052 -0.722 . . . . 10.0 109.052 169.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.66 -48.32 19.39 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 115.644 1.72 . . . . 10.0 115.644 -168.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 16.6 tp -67.78 -39.8 84.05 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.832 1.196 . . . . 10.0 110.125 177.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.433 HD12 HD22 ' A' ' 16' ' ' LEU . 21.6 tp -55.78 -54.14 48.05 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.432 1.093 . . . . 10.0 110.087 174.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -51.31 -48.15 62.41 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.122 1.769 . . . . 10.0 112.177 170.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . 0.432 HG21 ' HA ' ' B' ' 76' ' ' VAL . 1.0 OUTLIER -62.56 -19.65 63.9 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 127.364 2.265 . . . . 10.0 115.5 -175.719 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.705 HD22 HD13 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -116.1 -18.58 10.58 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 168.831 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -57.17 -41.2 78.79 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 107.067 -1.457 . . . . 10.0 107.067 168.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 8.5 p -74.69 109.79 8.14 Favored Pre-proline 0 CA--C 1.548 0.874 0 N-CA-C 103.495 -2.78 . . . . 10.0 103.495 167.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -59.84 148.01 90.12 Favored 'Trans proline' 0 C--N 1.353 0.805 0 N-CA-C 117.278 1.991 . . . . 10.0 117.278 -167.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.4 p -51.97 -28.13 15.72 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 127.403 2.281 . . . . 10.0 115.573 -169.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 29.9 t -42.06 -65.37 0.52 Allowed Pre-proline 0 CA--C 1.545 0.756 0 C-N-CA 126.613 1.965 . . . . 10.0 113.486 -173.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -84.09 -25.98 2.05 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.179 1.92 . . . . 10.0 111.794 169.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -74.13 35.72 0.09 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.829 2.452 . . . . 10.0 114.638 -171.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -66.87 -179.18 0.85 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 129.124 2.969 . . . . 10.0 115.042 -175.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 0.81 -96.46 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 130.774 3.629 . . . . 10.0 117.411 -176.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -39.58 -60.24 0.99 Allowed 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 126.651 1.98 . . . . 10.0 115.637 -168.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . 0.412 ' NE2' HG23 ' B' ' 63' ' ' THR . 2.9 pp0? -68.55 -32.38 72.28 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 121.088 1.767 . . . . 10.0 114.068 -173.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.432 ' HA ' HG21 ' B' ' 63' ' ' THR . 2.5 t -71.06 -51.6 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 118.405 -1.318 . . . . 10.0 108.117 171.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -53.31 -43.18 67.38 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.584 1.554 . . . . 10.0 110.964 -175.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -58.39 -40.06 81.33 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.563 1.545 . . . . 10.0 113.392 178.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 7.2 mt -90.48 -33.4 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-O 118.869 -0.586 . . . . 10.0 110.2 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mt -44.2 -56.04 4.39 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 128.079 2.552 . . . . 10.0 111.013 170.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -64.5 -15.3 60.6 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.032 1.123 . . . . 10.0 114.032 -175.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 76.6 p -71.03 -26.73 63.23 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.217 1.007 . . . . 10.0 113.619 -175.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . 0.426 HD22 ' HB3' ' B' ' 53' ' ' SER . 43.4 t-20 -114.93 108.79 48.01 Favored Pre-proline 0 N--CA 1.449 -0.515 0 N-CA-C 107.75 -1.204 . . . . 10.0 107.75 169.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -62.49 -33.88 77.44 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 123.419 2.746 . . . . 10.0 111.712 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -65.41 -50.48 65.32 Favored 'General case' 0 C--N 1.346 0.446 0 C-N-CA 124.311 1.044 . . . . 10.0 110.195 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.22 -41.02 98.0 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-O 118.846 -0.597 . . . . 10.0 110.443 175.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 4.2 ttt -60.75 -46.7 89.44 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.917 1.235 . . . . 10.0 111.663 177.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.09 96.1 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.573 -0.705 . . . . 10.0 111.376 175.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.67 -41.27 94.73 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 118.204 -0.903 . . . . 10.0 111.946 175.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -55.17 -57.96 9.62 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 124.885 1.274 . . . . 10.0 110.176 170.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 96.8 mt -52.96 -52.66 26.9 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 118.297 0.499 . . . . 10.0 110.237 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.445 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.0 OUTLIER -59.56 -59.86 4.77 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.634 -0.666 . . . . 10.0 111.968 178.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -71.73 -32.04 67.33 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 117.026 -1.464 . . . . 10.0 112.181 -172.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -59.74 -42.15 92.51 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 122.51 2.414 . . . . 10.0 109.937 169.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.8 m -61.76 -46.93 87.46 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 119.293 -0.384 . . . . 10.0 111.162 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.52 -48.57 74.46 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.199 0.999 . . . . 10.0 112.642 171.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -46.46 62.98 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.308 1.843 . . . . 10.0 110.925 174.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -59.87 -59.51 5.31 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 119.093 0.86 . . . . 10.0 112.159 175.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 N--CA 1.471 0.614 0 CA-C-N 119.263 0.938 . . . . 10.0 113.42 -176.768 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.412 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 38.0 tp10 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.132 -0.937 . . . . 10.0 111.191 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.75 -45.53 93.96 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.88 1.218 . . . . 10.0 111.81 -173.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.44 -39.4 88.88 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 176.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.474 HD22 ' C ' ' A' ' 9' ' ' LEU 0.407 0.0 OUTLIER -77.55 -32.29 53.78 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.187 0.903 . . . . 10.0 112.391 -179.65 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.0 tp -57.42 -46.87 83.05 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 128.505 2.722 . . . . 10.0 109.411 169.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -56.9 -54.45 46.37 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 124.022 0.929 . . . . 10.0 113.43 173.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -65.62 -26.86 68.01 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.906 1.23 . . . . 10.0 112.864 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.9 tp -77.97 -40.15 40.26 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.462 1.028 . . . . 10.0 111.964 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -73.33 -28.98 62.36 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.6 1.091 . . . . 10.0 111.54 172.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.6 m -60.59 -54.71 42.12 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.718 0.807 . . . . 10.0 110.037 169.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.459 HD22 HD12 ' B' ' 61' ' ' LEU . 7.9 tp -48.19 -51.32 25.73 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.219 1.008 . . . . 10.0 111.34 173.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.443 HD22 ' CE1' ' B' ' 90' ' ' PHE . 7.0 mt -67.69 -17.97 64.76 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.893 1.442 . . . . 10.0 114.893 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 94.7 p -125.11 11.87 8.25 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 120.708 -1.245 . . . . 10.0 113.69 -170.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -49.26 -10.44 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 131.504 3.922 . . . . 10.0 117.888 -173.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.262 40.9 p 120.53 -18.21 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.935 1 C-N-CA 134.414 5.086 . . . . 10.0 113.34 -178.794 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -66.04 152.91 43.61 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 120.977 1.717 . . . . 10.0 112.745 175.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.64 -6.11 1.34 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.568 2.347 . . . . 10.0 113.263 169.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.7 m -52.29 -45.47 65.51 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.947 2.099 . . . . 10.0 115.623 -168.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.61 -19.05 5.07 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 123.71 0.671 . . . . 10.0 112.669 170.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mt -58.5 -26.9 63.95 Favored 'General case' 0 C--O 1.224 -0.269 0 O-C-N 121.414 -1.051 . . . . 10.0 112.657 170.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.81 -40.24 9.44 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.315 1.446 . . . . 10.0 114.184 171.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.63 -54.08 44.92 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.784 1.234 . . . . 10.0 112.659 173.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.418 ' CD1' HG21 ' B' ' 76' ' ' VAL . 5.9 mt -64.47 -35.43 74.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 124.101 0.96 . . . . 10.0 109.433 -177.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -64.03 -53.33 51.56 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 126.011 1.724 . . . . 10.0 110.126 175.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.7 ptt-85 -61.97 -38.18 87.57 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 119.597 1.089 . . . . 10.0 112.489 175.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.99 -19.87 63.27 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.514 1.126 . . . . 10.0 113.895 177.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.8 mt -111.91 14.86 20.94 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.039 1.335 . . . . 10.0 112.675 171.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.76 17.57 60.66 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.76 1.172 . . . . 10.0 114.585 177.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.417 HG23 HG23 ' B' ' 95' ' ' THR 0.307 19.9 mt -51.98 -50.73 76.72 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 119.048 1.424 . . . . 10.0 112.846 -170.445 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -54.74 -27.46 52.25 Favored 'Trans proline' 0 CA--C 1.552 1.421 0 C-N-CA 123.838 3.025 . . . . 10.0 116.47 170.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.09 -40.78 26.88 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.408 1.004 . . . . 10.0 110.568 172.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.6 mt -59.76 -32.95 71.05 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.297 -0.877 . . . . 10.0 112.818 170.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.473 0.713 0 C-N-CA 127.021 2.128 . . . . 10.0 110.705 169.748 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.448 -0.551 0 N-CA-C 106.636 -1.616 . . . . 10.0 106.636 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -90.02 -7.56 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 C-N-CA 125.235 1.414 . . . . 10.0 112.76 177.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 42.5 p -112.61 11.23 0.08 OUTLIER Pre-proline 0 CA--C 1.549 0.938 0 N-CA-C 117.941 2.571 . . . . 10.0 117.941 174.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -63.77 -18.95 66.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 CA-C-N 124.335 2.584 . . . . 10.0 114.16 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 31.6 p -84.88 -51.35 6.8 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.816 1.646 . . . . 10.0 112.004 169.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.92 -25.03 18.35 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.882 1.673 . . . . 10.0 112.747 172.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 58.7 tp -55.14 -32.94 62.48 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.87 2.068 . . . . 10.0 112.542 169.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -90.4 -56.0 3.38 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.728 -0.842 . . . . 10.0 108.728 168.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.56 -60.42 2.43 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 115.013 1.486 . . . . 10.0 115.013 -169.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 tp -69.46 -32.0 70.65 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.589 0.631 . . . . 10.0 110.121 -175.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.459 HD12 HD22 ' A' ' 16' ' ' LEU . 23.1 tp -58.59 -57.63 12.14 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 117.439 -1.267 . . . . 10.0 110.652 169.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 27.7 ptt-85 -61.65 -36.86 82.01 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 121.07 1.759 . . . . 10.0 112.647 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . 0.425 HG21 ' HA ' ' B' ' 76' ' ' VAL . 1.0 OUTLIER -60.49 -20.44 60.06 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.219 2.208 . . . . 10.0 115.049 179.405 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.43 ' CD2' ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -119.57 -16.98 8.79 Favored 'General case' 0 C--N 1.345 0.405 0 N-CA-C 114.432 1.271 . . . . 10.0 114.432 171.597 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -31.09 72.15 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-O 118.054 -0.974 . . . . 10.0 109.306 167.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 5.4 p -77.61 130.88 72.5 Favored Pre-proline 0 CA--C 1.542 0.657 0 N-CA-C 104.042 -2.577 . . . . 10.0 104.042 167.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.31 152.66 61.32 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 N-CA-C 116.487 1.687 . . . . 10.0 116.487 -167.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 2.5 m -52.05 -21.8 3.5 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 128.656 2.782 . . . . 10.0 115.735 -170.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 29.7 t -47.82 -72.12 0.15 Allowed Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.498 1.519 . . . . 10.0 113.277 -176.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -78.87 -28.05 4.3 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 CA-C-N 121.802 1.679 . . . . 10.0 110.705 168.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -68.79 -7.06 30.63 Favored 'General case' 0 C--N 1.343 0.299 0 N-CA-C 115.054 1.501 . . . . 10.0 115.054 -171.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -22.75 3.91 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 127.103 2.161 . . . . 10.0 113.451 169.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -64.1 171.03 3.18 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 115.772 1.768 . . . . 10.0 115.772 -176.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -47.24 -24.2 0.68 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 127.906 2.482 . . . . 10.0 113.875 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -53.41 -37.6 62.68 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 117.522 -1.228 . . . . 10.0 114.165 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.425 ' HA ' HG21 ' B' ' 63' ' ' THR . 2.6 t -66.81 -52.31 46.24 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.563 0 CA-C-N 119.399 1.0 . . . . 10.0 108.83 175.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.414 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 1.2 tt -60.14 -37.62 80.63 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 124.309 1.006 . . . . 10.0 110.672 -173.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -62.88 -32.08 73.26 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.15 1.78 . . . . 10.0 113.618 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.0 mt -88.03 -44.47 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 CA-C-N 119.492 1.042 . . . . 10.0 109.401 173.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.414 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 7.8 mt -40.54 -60.3 1.15 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 127.515 2.326 . . . . 10.0 112.709 174.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -10.17 26.2 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.681 1.363 . . . . 10.0 114.681 -170.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 54.4 p -80.91 -19.45 44.28 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.212 1.405 . . . . 10.0 114.546 177.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -114.96 104.02 54.33 Favored Pre-proline 0 N--CA 1.468 0.473 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 169.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -58.35 -42.82 51.96 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 122.259 1.972 . . . . 10.0 112.509 -174.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -71.02 -42.05 70.06 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 117.698 -1.144 . . . . 10.0 111.867 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.38 -43.26 99.17 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.252 0.933 . . . . 10.0 109.387 170.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 6.0 ttt -60.58 -46.8 88.86 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.867 1.212 . . . . 10.0 112.555 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.01 99.47 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.809 -0.557 . . . . 10.0 112.054 172.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.56 -35.48 81.1 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.397 0.679 . . . . 10.0 112.764 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.443 ' CE1' HD22 ' A' ' 17' ' ' LEU . 50.0 t80 -60.05 -60.79 3.26 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 125.044 1.337 . . . . 10.0 108.844 170.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 82.0 mt -47.07 -55.04 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.491 1.116 . . . . 10.0 110.698 177.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -53.68 45.66 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 114.327 1.232 . . . . 10.0 114.327 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -32.48 73.38 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 119.951 1.25 . . . . 10.0 110.272 -177.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -64.3 -48.24 76.43 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 120.645 1.566 . . . . 10.0 111.104 171.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' THR . . . . . 0.417 HG23 HG23 ' A' ' 34' ' ' ILE . 75.1 p -60.5 -42.52 96.51 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.681 1.128 . . . . 10.0 111.289 175.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.14 -51.95 66.12 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.768 1.227 . . . . 10.0 112.027 171.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -46.36 -50.46 16.41 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.742 2.017 . . . . 10.0 110.84 170.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -62.59 -65.1 0.74 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.083 -0.96 . . . . 10.0 111.146 174.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 20.1 m . . . . . 0 N--CA 1.476 0.874 0 CA-C-N 120.836 1.653 . . . . 10.0 114.232 -170.456 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.199 -0.905 . . . . 10.0 111.541 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -40.44 96.16 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.731 1.151 . . . . 10.0 112.837 -178.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.53 -40.89 76.62 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.5 0.72 . . . . 10.0 112.093 174.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.3 mt -60.48 -51.08 71.0 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.153 0.433 . . . . 10.0 110.774 173.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.3 tp -54.61 -43.36 72.13 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 128.711 2.804 . . . . 10.0 110.448 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -60.26 -53.49 57.09 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.058 0.943 . . . . 10.0 113.102 172.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -64.29 -34.11 77.37 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.826 1.194 . . . . 10.0 111.996 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.49 -53.58 45.9 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 118.114 -0.946 . . . . 10.0 110.882 175.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -68.17 -23.83 64.9 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 120.286 1.403 . . . . 10.0 112.3 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.6 m -64.61 -57.05 10.16 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 118.329 -0.843 . . . . 10.0 109.781 169.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tp -47.54 -53.93 13.08 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.797 0.726 . . . . 10.0 110.8 172.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.624 HD12 HD22 ' B' ' 64' ' ' LEU . 1.5 tp -70.17 0.13 6.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 126.099 1.759 . . . . 10.0 115.196 -177.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.2 p -143.33 9.2 1.63 Allowed 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 115.306 1.595 . . . . 10.0 115.306 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -41.38 -11.4 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.072 1 C-N-CA 133.739 4.816 . . . . 10.0 119.719 -170.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.7 p 117.29 -29.61 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.31 1 C-N-CA 133.058 4.543 . . . . 10.0 113.441 -178.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.79 -49.86 69.91 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 120.623 1.556 . . . . 10.0 113.462 -170.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 55.57 -19.26 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 128.479 2.712 . . . . 10.0 116.756 -174.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.1 p -39.53 -59.5 1.1 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 129.571 3.148 . . . . 10.0 115.575 -168.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.05 -20.23 16.81 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 123.957 0.789 . . . . 10.0 114.108 174.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mp -59.44 -27.76 66.36 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 117.285 0.542 . . . . 10.0 110.89 172.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -40.68 -59.05 1.47 Allowed 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 127.406 2.283 . . . . 10.0 113.512 172.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -50.81 -48.71 59.6 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.465 1.029 . . . . 10.0 112.441 174.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.1 mm -60.44 -43.7 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 124.975 1.31 . . . . 10.0 110.078 177.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -62.24 -46.05 90.57 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.211 1.404 . . . . 10.0 112.019 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -69.59 -34.82 74.66 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 119.243 0.929 . . . . 10.0 111.279 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.91 -19.94 33.51 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.654 0.983 . . . . 10.0 113.654 169.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.445 HD21 ' HE1' ' B' ' 87' ' ' MET . 31.9 mt -108.56 9.04 27.44 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.11 2.164 . . . . 10.0 112.556 171.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 65.97 15.47 62.69 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 125.796 1.665 . . . . 10.0 114.484 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.279 67.6 mt -54.59 -58.62 13.34 Favored Pre-proline 0 CA--C 1.548 0.883 0 CA-C-N 119.882 1.841 . . . . 10.0 113.012 -171.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -55.42 -33.86 87.19 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 122.485 2.124 . . . . 10.0 113.88 174.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 mp0 -70.77 -42.01 70.97 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.982 1.313 . . . . 10.0 111.56 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.57 -33.04 74.98 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.538 1.935 . . . . 10.0 111.849 170.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.469 0.521 0 C-N-CA 124.754 1.222 . . . . 10.0 110.609 169.768 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.228 -0.065 0 N-CA-C 103.767 -2.679 . . . . 10.0 103.767 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.521 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.1 OUTLIER -89.88 -8.8 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 118.531 0.605 . . . . 10.0 111.079 -176.516 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 88.7 p -92.19 -3.56 0.1 OUTLIER Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 119.776 3.25 . . . . 10.0 119.776 175.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -67.38 -20.3 48.6 Favored 'Trans proline' 0 C--N 1.354 0.86 0 CA-C-N 125.48 2.993 . . . . 10.0 112.731 -174.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 73.3 p -90.14 -36.53 14.77 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 118.902 0.774 . . . . 10.0 112.206 168.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.07 -28.79 69.33 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.52 1.055 . . . . 10.0 111.746 170.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.44 -25.28 65.86 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 128.089 2.555 . . . . 10.0 113.15 169.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -89.7 -60.44 1.94 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 121.988 0.899 . . . . 10.0 109.658 169.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.71 -37.46 19.36 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 118.759 2.874 . . . . 10.0 118.759 -166.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.44 -34.84 31.24 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.693 0.679 . . . . 10.0 109.422 175.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.75 -59.41 5.07 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.494 1.118 . . . . 10.0 110.615 170.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 37.8 ptt85 -59.43 -33.22 70.99 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-N 120.448 1.476 . . . . 10.0 112.139 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 13.7 m -65.05 -22.38 66.97 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.815 1.646 . . . . 10.0 114.781 178.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.624 HD22 HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -118.42 -12.51 9.85 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.993 1.27 . . . . 10.0 113.67 172.384 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -65.89 -38.03 87.69 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 106.721 -1.585 . . . . 10.0 106.721 167.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 11.6 p -72.88 136.81 79.8 Favored Pre-proline 0 CA--C 1.551 0.989 0 N-CA-C 104.973 -2.232 . . . . 10.0 104.973 167.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -74.71 152.36 42.24 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 N-CA-C 115.928 1.472 . . . . 10.0 115.928 -168.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 8.9 m -51.85 -2.2 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 129.912 3.285 . . . . 10.0 116.542 -176.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.3 t -71.89 -74.86 0.13 Allowed Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 120.19 1.359 . . . . 10.0 110.539 177.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -67.87 -28.72 35.84 Favored 'Trans proline' 0 C--N 1.352 0.738 0 CA-C-N 121.611 1.611 . . . . 10.0 111.534 169.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -74.48 -0.02 16.17 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.094 1.146 . . . . 10.0 114.094 -177.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -51.03 -35.05 32.29 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.65 1.58 . . . . 10.0 112.47 169.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -69.71 162.68 27.27 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.907 1.283 . . . . 10.0 112.738 -170.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -52.8 -2.55 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 128.637 2.775 . . . . 10.0 115.957 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.53 -24.09 66.39 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 120.67 1.577 . . . . 10.0 112.805 172.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.61 -52.69 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 107.825 -1.176 . . . . 10.0 107.825 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.32 -41.52 84.72 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.873 1.269 . . . . 10.0 110.858 -173.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -60.18 -31.98 70.63 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.262 1.025 . . . . 10.0 113.616 175.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 62.9 mt -89.87 -42.32 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 119.743 1.156 . . . . 10.0 110.394 176.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 mt -40.35 -52.51 2.69 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.808 2.443 . . . . 10.0 112.225 172.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -56.93 -19.91 20.56 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.02 1.118 . . . . 10.0 114.02 -177.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 84.8 p -78.73 -16.84 56.74 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.805 1.409 . . . . 10.0 114.805 -177.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -122.03 102.79 40.32 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 108.141 -1.059 . . . . 10.0 108.141 171.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -59.93 -37.63 84.22 Favored 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 123.443 2.762 . . . . 10.0 112.944 -176.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -64.62 -48.32 75.33 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.307 1.043 . . . . 10.0 110.147 176.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -40.36 95.39 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.424 1.089 . . . . 10.0 110.09 177.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' MET . . . . . 0.445 ' HE1' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -58.65 -51.52 69.6 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.074 0.95 . . . . 10.0 112.099 173.718 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.94 96.52 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 119.19 -0.433 . . . . 10.0 111.704 175.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.61 -36.77 83.84 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 123.652 0.781 . . . . 10.0 112.173 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -62.17 -60.56 3.42 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.778 1.231 . . . . 10.0 108.601 169.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 82.7 mt -48.03 -43.99 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 120.602 1.546 . . . . 10.0 111.966 176.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -67.94 -60.25 2.65 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 113.752 1.019 . . . . 10.0 113.752 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -24.89 66.16 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.937 1.244 . . . . 10.0 111.902 -175.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -71.18 -51.2 26.17 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.135 1.374 . . . . 10.0 112.269 169.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 14.9 p -54.09 -44.43 71.2 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.615 0.643 . . . . 10.0 111.307 172.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.52 -53.28 59.37 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.303 1.841 . . . . 10.0 113.295 173.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -43.34 -52.04 6.05 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.872 1.669 . . . . 10.0 110.612 171.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -63.89 -61.33 2.35 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 117.036 -1.459 . . . . 10.0 111.966 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 32.5 m . . . . . 0 N--CA 1.481 1.114 0 CA-C-N 120.926 1.694 . . . . 10.0 113.765 -174.682 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.429 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 30.7 tp10 . . . . . 0 C--O 1.217 -0.648 0 CA-C-O 118.208 -0.901 . . . . 10.0 111.005 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -46.05 91.93 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.137 0.881 . . . . 10.0 112.445 -174.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.77 -38.09 85.9 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 118.357 -0.83 . . . . 10.0 112.28 175.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.516 HD22 ' C ' ' A' ' 9' ' ' LEU 0.405 0.0 OUTLIER -76.88 -34.85 57.75 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.675 1.125 . . . . 10.0 111.612 -179.731 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.5 tp -54.52 -46.69 73.58 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 128.063 2.545 . . . . 10.0 109.474 169.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -56.44 -56.53 20.08 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 113.87 1.063 . . . . 10.0 113.87 173.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.403 ' HG3' ' HA ' ' A' ' 9' ' ' LEU . 2.7 pp0? -65.33 -24.72 67.34 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.695 0.998 . . . . 10.0 113.695 177.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.4 tp -79.74 -41.32 26.91 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.064 0.847 . . . . 10.0 112.075 178.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -70.09 -29.45 66.43 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.271 1.396 . . . . 10.0 111.451 171.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.9 m -60.81 -55.71 29.87 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.226 1.011 . . . . 10.0 110.652 169.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.458 HD22 HD12 ' B' ' 61' ' ' LEU . 6.5 tp -48.32 -51.59 25.38 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 123.991 0.916 . . . . 10.0 110.755 174.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.533 HD22 ' CE1' ' B' ' 90' ' ' PHE . 10.7 mt -65.24 -18.42 65.3 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 115.173 1.545 . . . . 10.0 115.173 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 m -126.17 14.88 7.84 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.391 0.996 . . . . 10.0 112.86 -169.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -56.05 -7.84 0.39 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 130.742 3.617 . . . . 10.0 116.576 -169.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.1 p 115.94 -17.92 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.25 1 C-N-CA 134.443 5.097 . . . . 10.0 112.585 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -63.42 153.97 33.6 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-O 123.13 1.443 . . . . 10.0 113.199 171.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.51 1.28 1.04 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.773 2.029 . . . . 10.0 113.12 169.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 m -47.08 -59.94 2.8 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 115.898 1.814 . . . . 10.0 115.898 -168.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.77 -14.26 14.38 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 123.221 0.439 . . . . 10.0 112.374 169.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.0 mt -57.42 -26.67 61.49 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 117.9 -1.048 . . . . 10.0 112.404 169.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -46.79 -37.34 8.45 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 117.954 -1.022 . . . . 10.0 111.874 169.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.1 -53.42 55.71 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 119.539 1.063 . . . . 10.0 112.749 175.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.9 mm -69.26 -29.56 42.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 N-CA-C 108.514 -0.921 . . . . 10.0 108.514 -174.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.59 -53.31 29.2 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.77 1.228 . . . . 10.0 110.997 171.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.6 ptt85 -63.18 -37.19 86.26 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.046 1.293 . . . . 10.0 112.528 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.13 -20.02 37.15 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.835 1.254 . . . . 10.0 113.463 172.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.1 mt -117.94 12.85 13.86 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.783 1.633 . . . . 10.0 111.821 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.99 9.14 52.88 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.579 1.561 . . . . 10.0 115.985 176.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.2 mt -50.84 -45.8 87.06 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-O 117.224 -1.37 . . . . 10.0 113.924 -169.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -58.13 -21.19 49.96 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 122.924 2.416 . . . . 10.0 114.847 175.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -90.62 -32.15 16.37 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.206 0.912 . . . . 10.0 111.806 169.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.6 mt -60.65 -28.14 68.34 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.867 1.212 . . . . 10.0 112.126 170.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.6 t . . . . . 0 N--CA 1.468 0.453 0 C-N-CA 126.431 1.892 . . . . 10.0 109.964 168.674 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 86.6 p . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 106.323 -1.732 . . . . 10.0 106.323 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.446 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.1 OUTLIER -90.59 -5.07 10.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 124.35 1.06 . . . . 10.0 112.366 179.519 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . 0.404 ' HB3' HD22 ' B' ' 83' ' ' ASN . 71.9 p -116.54 12.18 0.07 OUTLIER Pre-proline 0 N--CA 1.478 0.934 0 N-CA-C 118.25 2.685 . . . . 10.0 118.25 176.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -65.31 -19.91 61.93 Favored 'Trans proline' 0 CA--C 1.548 1.18 0 CA-C-N 125.47 2.989 . . . . 10.0 112.777 175.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.5 p -80.1 -55.03 5.23 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 127.004 2.122 . . . . 10.0 110.91 169.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.81 -26.09 61.49 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.544 1.538 . . . . 10.0 113.616 173.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.06 -30.49 66.22 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 127.657 2.383 . . . . 10.0 112.093 169.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -90.67 -60.11 2.0 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.409 0.684 . . . . 10.0 109.251 169.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . 0.46 ' CG ' HH21 ' B' ' 62' ' ' ARG . 0.9 OUTLIER -80.09 -40.72 26.98 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 117.194 2.294 . . . . 10.0 117.194 -168.476 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 tt -74.95 -38.74 61.65 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.0 -1.111 . . . . 10.0 108.0 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.458 HD12 HD22 ' A' ' 16' ' ' LEU . 27.9 tp -53.74 -53.92 45.39 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 124.526 1.131 . . . . 10.0 109.959 169.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.46 HH21 ' CG ' ' B' ' 59' ' ' ASP . 16.3 ttp85 -52.57 -48.67 66.05 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.993 1.717 . . . . 10.0 112.126 171.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . 0.492 HG23 ' NE2' ' B' ' 75' ' ' GLN . 1.0 OUTLIER -58.98 -20.95 57.46 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 127.395 2.278 . . . . 10.0 115.41 -178.739 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.442 ' CD2' ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -117.14 -20.34 9.31 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.686 1.365 . . . . 10.0 114.686 171.392 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -58.4 -39.1 78.78 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 107.337 -1.357 . . . . 10.0 107.337 167.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 6.3 p -73.63 108.76 5.25 Favored Pre-proline 0 CA--C 1.55 0.966 0 N-CA-C 102.491 -3.152 . . . . 10.0 102.491 166.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.86 148.06 69.3 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 122.43 2.087 . . . . 10.0 117.266 -167.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 10.3 p -55.81 -26.33 45.85 Favored 'General case' 0 C--O 1.219 -0.543 0 C-N-CA 125.039 1.336 . . . . 10.0 113.724 -173.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 40.5 t -49.7 -67.88 0.4 Allowed Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.058 1.343 . . . . 10.0 112.703 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.99 -23.18 25.49 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 CA-C-N 121.714 1.648 . . . . 10.0 112.869 169.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -90.17 15.04 11.01 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.937 1.829 . . . . 10.0 115.937 -171.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -46.56 -27.29 1.08 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 128.739 2.815 . . . . 10.0 115.643 175.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -64.27 165.31 9.68 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 122.961 1.362 . . . . 10.0 112.942 -175.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -55.54 -1.65 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.292 2.237 . . . . 10.0 115.193 173.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . 0.492 ' NE2' HG23 ' B' ' 63' ' ' THR . 2.3 pp0? -55.26 -31.82 61.85 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 120.059 1.299 . . . . 10.0 114.193 172.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.479 ' HA ' HG21 ' B' ' 63' ' ' THR . 2.5 t -68.53 -51.11 49.95 Favored 'Isoleucine or valine' 0 C--N 1.348 0.5 0 N-CA-C 107.8 -1.185 . . . . 10.0 107.8 173.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.418 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 0.8 OUTLIER -60.06 -37.97 81.44 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.995 0.918 . . . . 10.0 110.504 -173.057 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -64.07 -28.38 69.74 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 124.896 1.278 . . . . 10.0 114.05 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.3 mt -90.5 -43.33 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 119.986 1.266 . . . . 10.0 110.056 172.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.418 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 6.0 mt -40.29 -56.74 1.9 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.924 2.49 . . . . 10.0 112.674 173.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -13.22 21.78 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.491 1.293 . . . . 10.0 114.491 -172.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 83.3 p -76.78 -21.52 55.05 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.205 1.187 . . . . 10.0 114.205 175.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . 0.404 HD22 ' HB3' ' B' ' 53' ' ' SER . 37.4 t-20 -117.2 100.87 53.26 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 119.61 1.095 . . . . 10.0 109.816 173.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -57.61 -40.61 78.8 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.491 2.794 . . . . 10.0 113.291 -175.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -74.04 -38.38 64.01 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 118.116 -0.945 . . . . 10.0 112.335 -178.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.05 -36.96 86.0 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 124.293 1.037 . . . . 10.0 109.473 170.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -51.51 69.22 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 119.722 1.146 . . . . 10.0 112.703 172.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.51 97.7 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.624 0.647 . . . . 10.0 112.26 175.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.71 87.79 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 118.224 -0.893 . . . . 10.0 112.688 175.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.533 ' CE1' HD22 ' A' ' 17' ' ' LEU . 65.6 t80 -57.29 -60.96 2.84 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 125.239 1.416 . . . . 10.0 108.418 169.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 91.8 mt -51.15 -51.12 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 118.733 0.697 . . . . 10.0 110.952 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -61.0 -60.1 4.32 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 124.142 0.977 . . . . 10.0 112.4 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -32.45 72.99 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 117.163 -1.399 . . . . 10.0 110.383 -174.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -60.82 -48.08 83.41 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 121.864 2.12 . . . . 10.0 110.471 169.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 3.1 m -58.31 -45.8 87.33 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.248 0.476 . . . . 10.0 111.591 176.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.82 92.15 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.763 1.225 . . . . 10.0 112.716 173.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -47.67 65.65 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 125.189 1.396 . . . . 10.0 110.11 173.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -58.14 -60.43 3.76 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 118.613 0.642 . . . . 10.0 111.62 176.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 32.8 m . . . . . 0 N--CA 1.479 0.98 0 CA-C-N 119.671 1.123 . . . . 10.0 113.647 -175.952 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 . . . . . 0 N--CA 1.468 0.435 0 CA-C-O 118.389 -0.815 . . . . 10.0 111.82 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -67.05 -48.0 69.61 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 118.913 -1.115 . . . . 10.0 110.349 -170.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.76 95.76 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 118.459 -0.782 . . . . 10.0 112.767 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.402 HD22 ' C ' ' A' ' 9' ' ' LEU 0.35 0.0 OUTLIER -77.08 -32.6 56.8 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.803 1.183 . . . . 10.0 110.696 -179.482 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 tp -61.55 -47.73 84.21 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 119.602 1.092 . . . . 10.0 111.04 169.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.414 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 42.5 m-20 -57.68 -52.34 65.82 Favored 'General case' 0 C--O 1.241 0.605 0 N-CA-C 112.894 0.701 . . . . 10.0 112.894 173.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -29.17 68.21 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 118.947 0.794 . . . . 10.0 113.073 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -74.29 -46.35 41.82 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 117.041 -1.457 . . . . 10.0 110.956 174.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.414 ' CD2' ' HA ' ' A' ' 11' ' ' ASP . 3.4 p80 -67.43 -28.51 67.95 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 121.459 1.936 . . . . 10.0 111.376 178.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.8 m -60.38 -57.54 12.34 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.953 0.901 . . . . 10.0 109.642 169.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 tp -50.27 -55.28 16.05 Favored 'General case' 0 C--O 1.23 0.062 0 CA-C-N 118.636 0.653 . . . . 10.0 111.533 173.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.5 HD12 ' HG ' ' B' ' 64' ' ' LEU . 4.5 tp -67.78 -10.53 53.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.261 1.424 . . . . 10.0 112.807 -172.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.6 p -133.65 6.58 3.76 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 116.086 1.884 . . . . 10.0 116.086 -177.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.7 p30 -39.73 0.92 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.071 1 C-N-CA 135.655 5.582 . . . . 10.0 121.221 -168.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.0 p 116.7 -25.7 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.295 1 C-N-CA 132.668 4.387 . . . . 10.0 112.367 176.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.47 161.13 12.33 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 123.623 1.678 . . . . 10.0 112.995 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.24 -9.58 1.13 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 127.08 2.152 . . . . 10.0 112.749 169.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.8 m -51.21 -43.47 61.42 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 126.158 1.783 . . . . 10.0 115.336 -169.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.93 -18.67 3.83 Favored Glycine 0 CA--C 1.536 1.348 0 CA-C-O 119.252 -0.749 . . . . 10.0 113.189 169.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.43 -27.04 67.18 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.276 1.038 . . . . 10.0 112.761 169.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -40.6 -54.34 2.56 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.164 1.786 . . . . 10.0 113.711 170.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.411 ' HA ' ' HG2' ' A' ' 30' ' ' ARG . 5.0 tt0 -62.66 -42.31 99.54 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 126.173 1.789 . . . . 10.0 112.648 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.5 mm -63.99 -41.36 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 118.101 0.409 . . . . 10.0 110.928 170.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -64.43 -48.8 73.98 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.094 0.958 . . . . 10.0 110.918 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.411 ' HG2' ' HA ' ' A' ' 27' ' ' GLU . 11.4 ptt85 -66.0 -34.6 78.47 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 117.952 -1.023 . . . . 10.0 112.928 176.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.57 -19.94 42.54 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.532 1.06 . . . . 10.0 112.942 170.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.8 mt -117.15 14.2 14.85 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.247 1.819 . . . . 10.0 112.049 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.38 13.43 43.81 Favored Glycine 0 CA--C 1.535 1.321 0 N-CA-C 115.858 1.103 . . . . 10.0 115.858 177.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.7 mt -58.53 -41.13 87.46 Favored Pre-proline 0 N--CA 1.475 0.785 0 CA-C-N 119.258 1.529 . . . . 10.0 113.536 -169.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -58.83 -26.94 82.46 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.524 2.149 . . . . 10.0 114.77 169.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -44.18 34.14 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.013 -1.054 . . . . 10.0 110.622 169.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.1 mt -51.32 -33.65 30.09 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.721 0.691 . . . . 10.0 112.151 170.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.5 t . . . . . 0 CA--C 1.544 0.726 0 C-N-CA 123.515 0.726 . . . . 10.0 110.474 169.033 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 59.6 m . . . . . 0 CA--C 1.531 0.227 0 N-CA-C 104.581 -2.378 . . . . 10.0 104.581 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.88 8.16 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 O-C-N 121.259 -0.9 . . . . 10.0 112.143 -173.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 11.7 p -131.28 5.8 0.04 OUTLIER Pre-proline 0 CA--C 1.554 1.118 0 N-CA-C 117.805 2.52 . . . . 10.0 117.805 -175.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -65.19 -18.02 60.1 Favored 'Trans proline' 0 C--N 1.355 0.904 0 CA-C-N 125.405 2.966 . . . . 10.0 113.07 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 15.7 p -77.46 -49.32 15.05 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 126.071 1.748 . . . . 10.0 111.169 169.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.05 -30.29 67.93 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.997 1.319 . . . . 10.0 112.369 171.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 29.6 tp -57.31 -22.77 44.25 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.83 1.252 . . . . 10.0 111.883 169.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -91.42 -60.02 1.99 Allowed 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.012 0.823 . . . . 10.0 109.314 169.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.02 -39.22 19.9 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 117.794 2.516 . . . . 10.0 117.794 -168.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 tp -76.72 -33.43 58.18 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.583 -0.698 . . . . 10.0 110.258 175.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 tp -57.89 -59.91 4.52 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 117.369 -1.3 . . . . 10.0 110.807 171.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 50.2 ptt85 -55.81 -35.34 66.22 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 120.899 1.681 . . . . 10.0 112.506 176.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 8.8 m -66.19 -25.16 66.8 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.951 2.1 . . . . 10.0 113.89 -176.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.5 ' HG ' HD12 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -113.43 -21.26 10.96 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.042 1.337 . . . . 10.0 112.191 175.039 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.21 -29.79 70.63 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.878 -1.058 . . . . 10.0 110.724 168.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 6.9 p -84.27 110.96 30.17 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 102.585 -3.117 . . . . 10.0 102.585 166.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -65.79 170.74 10.88 Favored 'Trans proline' 0 C--N 1.35 0.611 0 N-CA-C 115.668 1.372 . . . . 10.0 115.668 -169.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 3.0 m -50.71 -18.68 0.76 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 128.293 2.637 . . . . 10.0 115.371 -170.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 56.4 p -49.03 114.46 3.82 Favored Pre-proline 0 CA--C 1.529 0.143 0 C-N-CA 127.034 2.134 . . . . 10.0 108.431 168.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . 0.343 1.7 Cg_exo 42.13 -10.26 0.0 OUTLIER 'Trans proline' 0 CA--C 1.544 1.023 1 C-N-CA 125.754 4.303 . . . . 10.0 121.037 -167.896 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -72.53 -10.38 59.73 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.063 1.745 . . . . 10.0 112.277 169.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -43.92 -12.64 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 130.67 3.588 . . . . 10.0 118.902 175.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.89 -174.49 2.59 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.539 1.311 . . . . 10.0 114.539 -169.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -48.31 -14.8 0.06 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 128.513 2.725 . . . . 10.0 116.948 -169.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -24.63 65.57 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 123.313 2.779 . . . . 10.0 113.324 169.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -70.61 -54.6 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 120.468 1.485 . . . . 10.0 107.729 169.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -35.96 74.65 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.283 1.433 . . . . 10.0 112.232 -172.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -65.14 -33.29 75.67 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 125.431 1.492 . . . . 10.0 112.81 176.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 29.7 mt -86.38 -45.6 16.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 119.735 1.152 . . . . 10.0 109.232 175.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.5 mt -39.37 -53.88 1.94 Allowed 'General case' 0 C--N 1.355 0.805 0 C-N-CA 127.933 2.493 . . . . 10.0 112.37 175.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -59.19 -19.89 49.18 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.747 1.388 . . . . 10.0 114.747 -176.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 63.3 p -78.04 -9.23 59.03 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 113.923 1.083 . . . . 10.0 113.923 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -129.87 75.22 79.86 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 119.048 0.84 . . . . 10.0 110.514 -171.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -41.41 -56.59 1.74 Allowed 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 125.179 3.92 . . . . 10.0 115.731 -169.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -61.6 -42.48 98.93 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.43 0.9 . . . . 10.0 113.43 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.0 -41.47 98.1 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.37 1.068 . . . . 10.0 110.88 173.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -53.74 54.88 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.353 0.661 . . . . 10.0 111.108 175.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.7 95.08 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.043 0.386 . . . . 10.0 112.043 175.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.26 98.56 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 118.499 -0.762 . . . . 10.0 112.867 175.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.471 ' CD1' ' HG ' ' A' ' 17' ' ' LEU . 68.3 t80 -56.95 -58.83 6.44 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 117.182 -1.389 . . . . 10.0 108.736 169.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 77.9 mt -48.85 -58.55 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 119.702 1.137 . . . . 10.0 110.282 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.494 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.0 OUTLIER -54.77 -57.25 12.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.649 1.179 . . . . 10.0 112.146 -179.131 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -36.58 81.65 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 118.183 -0.913 . . . . 10.0 111.503 -176.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -55.28 -50.0 70.67 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 120.656 1.571 . . . . 10.0 110.592 169.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -57.98 -44.19 86.96 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.149 0.886 . . . . 10.0 111.67 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.89 -44.71 95.35 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.188 0.995 . . . . 10.0 112.538 176.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -44.66 73.56 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.396 1.478 . . . . 10.0 110.515 172.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -59.11 -59.24 5.79 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-O 118.275 -0.869 . . . . 10.0 111.826 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 21.2 m . . . . . 0 CA--C 1.545 0.786 0 CA-C-N 119.466 1.03 . . . . 10.0 113.472 -178.228 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 118.653 -0.689 . . . . 10.0 112.418 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.71 -42.73 67.0 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 119.449 -0.9 . . . . 10.0 111.5 -172.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.56 95.06 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 118.694 -0.67 . . . . 10.0 112.167 175.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.568 HD22 ' C ' ' A' ' 9' ' ' LEU 0.381 0.0 OUTLIER -72.62 -39.58 67.15 Favored 'General case' 0 C--N 1.348 0.523 0 CA-C-O 118.113 -0.946 . . . . 10.0 110.755 179.903 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.0 tp -54.81 -48.76 72.36 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.889 1.676 . . . . 10.0 110.575 171.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.4 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 42.3 m-20 -58.21 -55.1 39.37 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 113.439 0.903 . . . . 10.0 113.439 175.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.409 ' HG3' ' HA ' ' A' ' 9' ' ' LEU . 3.5 pp0? -64.53 -29.37 70.4 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-N 119.468 1.031 . . . . 10.0 113.286 177.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.8 tp -75.96 -41.31 51.81 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 117.931 -1.033 . . . . 10.0 111.403 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.4 ' CD2' ' HA ' ' A' ' 11' ' ' ASP . 5.7 p80 -69.92 -32.57 70.92 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 120.418 1.463 . . . . 10.0 111.542 174.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.8 m -66.54 -31.12 71.63 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 118.482 -0.77 . . . . 10.0 112.403 172.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.416 HD22 HD12 ' B' ' 61' ' ' LEU . 1.3 tp -70.35 -59.77 2.67 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 120.472 1.487 . . . . 10.0 109.923 168.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.416 ' HA ' HD22 ' B' ' 64' ' ' LEU . 8.1 tp -65.47 -8.22 18.17 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.564 1.546 . . . . 10.0 113.256 -169.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.9 t -143.25 30.33 1.41 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.418 1.487 . . . . 10.0 112.89 169.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -40.88 -51.38 3.18 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.449 1.5 . . . . 10.0 112.316 176.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.1 p -154.47 -82.07 0.08 Allowed 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 128.955 2.902 . . . . 10.0 106.799 169.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -151.88 179.85 8.09 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.097 1.359 . . . . 10.0 110.82 177.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.75 163.45 29.58 Favored 'General case' 0 N--CA 1.435 -1.22 0 C-N-CA 127.09 2.156 . . . . 10.0 109.323 168.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 p -59.25 -34.38 72.15 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 130.248 3.419 . . . . 10.0 112.56 174.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.97 -49.32 5.09 Favored Glycine 0 C--N 1.336 0.581 0 N-CA-C 111.425 -0.67 . . . . 10.0 111.425 170.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.9 mt -35.38 -52.9 0.64 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 125.829 1.651 . . . . 10.0 114.6 170.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -57.08 -40.8 77.63 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 121.371 1.896 . . . . 10.0 113.756 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -67.86 -49.22 63.33 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 119.179 0.899 . . . . 10.0 111.303 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.1 mm -57.73 -35.17 49.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 122.785 0.434 . . . . 10.0 111.21 177.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -66.23 -53.6 35.09 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.759 1.224 . . . . 10.0 110.541 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.5 ptt85 -64.84 -32.86 74.76 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.054 -1.029 . . . . 10.0 113.273 176.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.18 -20.13 63.83 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.546 1.138 . . . . 10.0 113.249 170.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.0 mt -110.68 14.91 22.25 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.107 1.763 . . . . 10.0 111.792 172.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.86 12.22 47.22 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 125.306 1.432 . . . . 10.0 115.177 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.0 mt -55.56 -45.74 99.83 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 118.776 1.288 . . . . 10.0 113.368 -169.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -56.72 -19.72 31.96 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.174 2.583 . . . . 10.0 115.201 171.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.9 -41.14 13.4 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 119.23 0.923 . . . . 10.0 110.979 169.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.5 mt -54.41 -28.72 45.69 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 170.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.7 t . . . . . 0 N--CA 1.473 0.679 0 C-N-CA 126.348 1.859 . . . . 10.0 109.823 169.385 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 CA--C 1.534 0.354 0 N-CA-C 103.803 -2.666 . . . . 10.0 103.803 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.839 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.0 OUTLIER -89.79 -1.45 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.27 1.428 . . . . 10.0 113.715 -169.41 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 8.9 p -124.82 4.94 0.05 OUTLIER Pre-proline 0 CA--C 1.551 0.999 0 N-CA-C 118.441 2.756 . . . . 10.0 118.441 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -66.22 -14.51 44.61 Favored 'Trans proline' 0 CA--C 1.548 1.207 0 CA-C-N 125.596 3.034 . . . . 10.0 114.309 178.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 13.3 p -80.6 -53.07 6.88 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.957 1.703 . . . . 10.0 109.686 169.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.3 -26.6 66.64 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 124.316 1.046 . . . . 10.0 112.405 173.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 25.2 tp -55.17 -29.59 58.15 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 126.317 1.847 . . . . 10.0 110.928 169.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -89.64 -58.97 2.34 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.157 0.983 . . . . 10.0 109.462 170.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -82.23 -40.06 22.18 Favored 'General case' 0 C--N 1.344 0.357 0 N-CA-C 117.811 2.523 . . . . 10.0 117.811 -168.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 tp -74.95 -29.55 60.96 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 120.475 1.489 . . . . 10.0 110.262 175.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.416 HD12 HD22 ' A' ' 16' ' ' LEU . 15.0 tp -63.66 -59.47 4.55 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 118.164 -0.922 . . . . 10.0 110.028 169.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.81 -32.8 67.93 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 120.261 1.391 . . . . 10.0 112.129 175.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . 0.508 HG23 ' NE2' ' B' ' 75' ' ' GLN . 5.8 m -60.75 -23.3 64.84 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.089 1.756 . . . . 10.0 115.652 178.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -115.17 -23.89 8.77 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 114.175 1.176 . . . . 10.0 114.175 170.145 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -64.52 -37.74 88.59 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.838 0.744 . . . . 10.0 111.031 168.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 58.1 p -77.87 108.42 7.33 Favored Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 103.498 -2.778 . . . . 10.0 103.498 168.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.45 143.76 53.74 Favored 'Trans proline' 0 CA--C 1.511 -0.634 0 C-N-CA 122.351 2.034 . . . . 10.0 116.399 -168.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 4.9 m -67.36 39.77 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 129.066 2.946 . . . . 10.0 114.792 -173.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -87.06 -76.69 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.708 0 C-N-CA 126.418 1.887 . . . . 10.0 108.766 169.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.46 -30.83 6.14 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 CA-C-N 122.952 2.09 . . . . 10.0 109.66 168.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -65.87 1.43 1.38 Allowed 'General case' 0 C--N 1.349 0.581 0 C-N-CA 125.657 1.583 . . . . 10.0 114.612 170.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -56.84 -36.27 69.8 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.188 1.181 . . . . 10.0 114.188 -177.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -78.37 -177.89 5.46 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 123.251 1.5 . . . . 10.0 114.157 -168.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -54.78 -0.86 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 128.954 2.901 . . . . 10.0 114.955 -174.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . 0.508 ' NE2' HG23 ' B' ' 63' ' ' THR . 2.3 pp0? -58.03 -27.86 63.94 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 120.5 1.5 . . . . 10.0 112.17 169.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.426 ' HA ' HG21 ' B' ' 63' ' ' THR . 2.5 t -67.97 -54.68 20.71 Favored 'Isoleucine or valine' 0 C--N 1.347 0.457 0 N-CA-C 107.973 -1.121 . . . . 10.0 107.973 170.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.407 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 0.4 OUTLIER -59.35 -37.05 76.86 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.58 1.152 . . . . 10.0 112.854 -175.06 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -63.71 -32.59 74.12 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.481 1.913 . . . . 10.0 113.768 175.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 13.5 mt -90.03 -41.92 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 119.537 1.062 . . . . 10.0 109.342 174.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 8.2 mt -39.81 -58.38 1.37 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.378 2.271 . . . . 10.0 112.034 173.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -11.13 46.11 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.87 1.433 . . . . 10.0 114.87 -173.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 52.4 p -78.85 -9.95 59.64 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 124.601 1.16 . . . . 10.0 113.617 173.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -125.39 85.34 58.64 Favored Pre-proline 0 CA--C 1.535 0.397 0 C-N-CA 123.812 0.845 . . . . 10.0 108.751 -172.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -50.07 -52.12 9.56 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 123.581 2.854 . . . . 10.0 114.631 -169.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.414 ' CG ' HD13 ' B' ' 52' ' ' ILE . 0.0 OUTLIER -64.41 -45.95 85.37 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.035 0.934 . . . . 10.0 112.421 178.684 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.56 -34.46 75.86 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.822 0.849 . . . . 10.0 111.607 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 4.6 ttt -63.51 -46.65 85.12 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.51 1.05 . . . . 10.0 110.601 172.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.83 -43.87 94.93 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.401 -0.812 . . . . 10.0 112.098 174.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.25 -36.37 83.44 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.307 0.643 . . . . 10.0 112.363 176.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.412 ' CE1' ' HD3' ' B' ' 94' ' ' ARG . 68.1 t80 -59.32 -60.56 3.67 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 124.737 1.215 . . . . 10.0 108.444 169.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 91.8 mt -51.6 -47.12 37.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 118.837 0.744 . . . . 10.0 110.566 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -61.4 -60.25 4.01 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.097 0.959 . . . . 10.0 113.094 177.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -66.02 -39.98 90.67 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 117.57 -1.205 . . . . 10.0 110.143 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . 0.412 ' HD3' ' CE1' ' B' ' 90' ' ' PHE . 12.0 mmm180 -51.04 -49.31 60.79 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 120.647 1.567 . . . . 10.0 111.105 172.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.8 m -63.13 -44.68 94.9 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 118.575 -0.726 . . . . 10.0 111.773 175.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.72 87.72 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.299 1.439 . . . . 10.0 113.099 176.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 14.9 tptp -50.49 -57.45 8.05 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.625 1.97 . . . . 10.0 107.486 169.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -57.74 -57.5 12.46 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 117.344 -1.312 . . . . 10.0 113.348 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 31.3 m . . . . . 0 N--CA 1.481 1.107 0 CA-C-N 121.013 1.733 . . . . 10.0 113.787 -170.286 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.519 -0.241 0 N-CA-C 112.485 0.55 . . . . 10.0 112.485 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -64.26 -39.54 94.14 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 120.26 -0.576 . . . . 10.0 111.92 -177.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.14 85.88 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.666 1.187 . . . . 10.0 112.424 174.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.496 HD22 ' C ' ' A' ' 9' ' ' LEU 0.37 0.0 OUTLIER -73.04 -33.28 65.6 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.631 1.105 . . . . 10.0 111.088 -178.187 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.8 tp -61.87 -47.2 86.08 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.072 1.349 . . . . 10.0 111.052 168.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -57.53 -53.37 58.93 Favored 'General case' 0 C--N 1.345 0.379 0 N-CA-C 112.791 0.663 . . . . 10.0 112.791 176.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -62.32 -32.9 73.73 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 118.717 -0.658 . . . . 10.0 112.584 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tp -75.13 -43.16 54.2 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.775 0.716 . . . . 10.0 111.727 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -71.97 -28.59 63.53 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 119.965 1.257 . . . . 10.0 111.735 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.2 m -63.62 -51.4 65.38 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.885 0.874 . . . . 10.0 109.982 169.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.551 HD22 HD12 ' B' ' 61' ' ' LEU . 4.6 tp -51.91 -48.62 64.1 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.339 -0.839 . . . . 10.0 111.914 174.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.531 HD13 ' HG ' ' B' ' 64' ' ' LEU . 4.5 mm? -64.31 -24.47 67.66 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.362 1.245 . . . . 10.0 114.362 176.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -117.17 12.9 14.58 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.502 1.297 . . . . 10.0 114.502 -167.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -53.17 -6.81 0.07 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 131.364 3.866 . . . . 10.0 117.17 -170.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.254 46.4 p 116.28 -17.74 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.633 1 C-N-CA 134.114 4.965 . . . . 10.0 112.766 -178.912 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -63.38 154.74 31.0 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 120.987 1.721 . . . . 10.0 112.99 173.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.49 -2.56 0.86 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 127.679 2.392 . . . . 10.0 112.956 169.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.6 m -51.14 -47.43 62.06 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.938 1.695 . . . . 10.0 115.22 -168.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.24 -24.74 3.74 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 123.788 0.709 . . . . 10.0 112.652 170.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.0 mt -52.36 -36.9 54.86 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 124.609 1.163 . . . . 10.0 112.248 171.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -48.43 -41.96 30.87 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 124.298 1.039 . . . . 10.0 113.028 177.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -68.19 -46.68 70.01 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.458 1.026 . . . . 10.0 111.212 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.406 HD13 ' CG2' ' B' ' 76' ' ' VAL . 25.6 mt -60.68 -35.8 66.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 125.447 1.499 . . . . 10.0 111.299 175.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -67.08 -53.35 31.7 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.168 1.787 . . . . 10.0 110.271 177.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -68.55 -27.25 65.92 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 118.255 -0.878 . . . . 10.0 113.111 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.41 -19.94 63.96 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 119.736 1.153 . . . . 10.0 112.727 169.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.2 mt -110.48 15.85 21.91 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.873 2.069 . . . . 10.0 112.433 170.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.77 9.92 53.6 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 126.651 2.072 . . . . 10.0 114.908 173.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.6 mt -53.52 -44.38 97.55 Favored Pre-proline 0 CA--C 1.548 0.886 0 CA-C-O 117.343 -1.313 . . . . 10.0 113.971 -169.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -56.93 -19.64 32.94 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.241 2.627 . . . . 10.0 115.869 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.17 -39.65 13.42 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 119.076 0.853 . . . . 10.0 111.0 170.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.4 mt -54.86 -30.67 58.37 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.847 0.859 . . . . 10.0 111.686 171.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.471 0.585 0 C-N-CA 126.348 1.859 . . . . 10.0 110.229 169.096 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 105.595 -2.002 . . . . 10.0 105.595 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.512 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.8 OUTLIER -89.84 -13.85 9.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-O 120.818 0.342 . . . . 10.0 110.548 -174.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 16.0 p -119.04 13.54 0.07 OUTLIER Pre-proline 0 CA--C 1.549 0.923 0 N-CA-C 117.335 2.346 . . . . 10.0 117.335 -175.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -72.14 -17.12 28.26 Favored 'Trans proline' 0 CA--C 1.548 1.181 0 CA-C-N 124.506 2.645 . . . . 10.0 112.508 -176.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 49.9 p -81.04 -49.14 11.28 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.693 1.197 . . . . 10.0 111.298 169.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.45 -29.07 65.88 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.505 1.522 . . . . 10.0 112.128 171.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 33.4 tp -55.43 -27.68 49.48 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.848 2.059 . . . . 10.0 111.956 169.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.75 -60.41 1.92 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.959 0.904 . . . . 10.0 109.221 168.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.47 -47.32 34.01 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 116.894 2.183 . . . . 10.0 116.894 -168.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.1 tp -73.77 -36.86 65.13 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.849 0.749 . . . . 10.0 109.658 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.551 HD12 HD22 ' A' ' 16' ' ' LEU . 21.5 tp -57.2 -55.01 40.25 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 124.43 1.092 . . . . 10.0 111.17 171.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 12.6 ttp85 -55.89 -47.61 77.11 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.987 1.715 . . . . 10.0 111.944 172.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . 0.401 HG23 HE21 ' B' ' 75' ' ' GLN . 16.1 m -53.5 -55.77 22.64 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.215 1.406 . . . . 10.0 112.533 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.531 ' HG ' HD13 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -75.1 -24.14 58.06 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.223 0.823 . . . . 10.0 113.223 177.771 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -60.58 -42.16 96.14 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.153 0.888 . . . . 10.0 111.082 169.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 9.0 p -68.72 108.31 2.82 Favored Pre-proline 0 CA--C 1.551 1.01 0 N-CA-C 107.738 -1.208 . . . . 10.0 107.738 168.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.39 155.6 45.88 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.127 1.884 . . . . 10.0 116.796 -169.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 4.8 m -55.72 16.95 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 130.856 3.662 . . . . 10.0 118.109 -169.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.1 t -78.08 -86.07 0.02 OUTLIER Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 120.66 1.573 . . . . 10.0 110.756 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -69.84 -14.52 35.93 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 CA-C-N 123.694 2.355 . . . . 10.0 112.206 169.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -78.89 3.49 16.79 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.415 1.886 . . . . 10.0 114.373 173.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -18.4 54.69 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.973 1.709 . . . . 10.0 113.012 169.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -85.77 -170.65 3.2 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.253 1.421 . . . . 10.0 113.513 -170.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -61.35 -7.65 3.18 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 116.285 1.957 . . . . 10.0 116.285 -177.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . 0.401 HE21 HG23 ' B' ' 63' ' ' THR . 1.3 pm0 -67.73 -30.02 69.4 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 121.825 2.102 . . . . 10.0 113.234 -171.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.406 ' CG2' HD13 ' A' ' 28' ' ' ILE . 2.9 t -66.9 -52.91 39.35 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 108.585 -0.894 . . . . 10.0 108.585 169.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.405 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 0.5 OUTLIER -61.27 -35.98 78.78 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 121.964 0.888 . . . . 10.0 111.283 -172.003 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -59.88 -38.57 82.6 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.723 1.609 . . . . 10.0 113.615 172.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 17.7 mt -83.76 -39.5 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 119.552 1.069 . . . . 10.0 109.645 177.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 10.6 mt -41.52 -60.22 1.38 Allowed 'General case' 0 C--O 1.24 0.557 0 C-N-CA 127.332 2.253 . . . . 10.0 112.322 172.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . 0.28 0.1 OUTLIER -66.27 -7.99 22.02 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.259 1.578 . . . . 10.0 115.259 -178.127 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 32.5 p -84.29 -8.62 58.97 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.903 1.445 . . . . 10.0 114.903 171.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.45 72.73 57.48 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 123.294 0.638 . . . . 10.0 111.1 175.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -49.05 -31.06 19.8 Favored 'Trans proline' 0 N--CA 1.456 -0.701 1 C-N-CA 125.373 4.049 . . . . 10.0 117.217 -175.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.42 -47.19 70.97 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.405 1.457 . . . . 10.0 111.384 174.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.8 -38.21 87.26 Favored 'General case' 0 C--O 1.217 -0.658 0 C-N-CA 124.003 0.921 . . . . 10.0 109.869 170.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 4.9 ttt -60.67 -43.7 97.34 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.389 -0.82 . . . . 10.0 112.809 177.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.61 93.03 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 122.066 -0.396 . . . . 10.0 111.605 172.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.34 -37.02 84.05 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.334 0.864 . . . . 10.0 113.334 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -58.49 -59.51 5.24 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 126.514 1.925 . . . . 10.0 107.478 169.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 65.2 mt -49.81 -52.52 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 CA-C-N 118.503 0.592 . . . . 10.0 110.416 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -60.65 -60.53 3.65 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.757 1.223 . . . . 10.0 112.409 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -30.0 64.65 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 117.016 -1.469 . . . . 10.0 111.165 -173.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -62.62 -44.14 97.04 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 121.699 2.045 . . . . 10.0 110.514 169.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 4.2 m -59.89 -46.02 90.65 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 122.058 -0.401 . . . . 10.0 110.813 175.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.87 87.61 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.889 0.876 . . . . 10.0 112.057 173.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -51.51 26.64 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.991 1.717 . . . . 10.0 110.212 171.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -59.74 -60.08 4.4 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 117.548 -1.215 . . . . 10.0 112.422 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.476 0.858 0 CA-C-N 119.834 1.197 . . . . 10.0 112.894 -173.726 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 . . . . . 0 C--O 1.218 -0.58 0 CA-C-O 117.92 -1.038 . . . . 10.0 112.869 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.99 -39.97 96.36 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.986 1.266 . . . . 10.0 112.298 176.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.46 -40.86 73.45 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.909 0.483 . . . . 10.0 111.64 174.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.9 mt -64.2 -41.55 97.02 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 122.97 0.508 . . . . 10.0 111.794 175.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.13 -48.69 80.66 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 128.376 2.671 . . . . 10.0 110.295 170.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.43 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 51.3 m-20 -57.97 -54.44 46.96 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 118.678 -0.677 . . . . 10.0 112.743 176.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -63.79 -30.22 71.34 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.266 0.939 . . . . 10.0 113.444 177.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.1 tp -75.7 -41.94 52.3 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 118.502 0.592 . . . . 10.0 112.338 176.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.43 ' CD2' ' HA ' ' A' ' 11' ' ' ASP . 1.8 p80 -72.12 -28.15 63.09 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.561 -1.337 . . . . 10.0 110.982 175.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.5 m -65.82 -42.59 90.41 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.909 0.777 . . . . 10.0 110.762 169.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.3 tp -56.15 -49.56 73.62 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 117.598 -1.192 . . . . 10.0 111.188 172.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.783 HD13 HD22 ' B' ' 64' ' ' LEU . 3.0 mm? -64.72 -23.79 67.36 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-N 120.966 1.712 . . . . 10.0 113.562 173.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.424 ' CB ' HE21 ' B' ' 93' ' ' GLN . 70.6 m -95.0 -10.56 30.56 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 115.361 1.615 . . . . 10.0 115.361 -173.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -41.01 -16.98 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 130.941 3.696 . . . . 10.0 117.99 -169.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.264 57.8 p 120.17 -14.99 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.699 1 C-N-CA 135.691 5.596 . . . . 10.0 111.906 169.661 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -56.45 150.65 14.68 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-O 123.464 1.602 . . . . 10.0 112.544 173.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -142.92 -0.39 1.16 Allowed 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 128.026 2.531 . . . . 10.0 112.085 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.6 m -51.02 -57.56 8.31 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.283 1.401 . . . . 10.0 113.473 -169.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.45 -23.48 6.28 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.99 1.281 . . . . 10.0 110.518 168.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.529 HD11 HD21 ' B' ' 64' ' ' LEU . 4.9 mt -50.23 -33.27 19.01 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-O 117.662 -1.161 . . . . 10.0 113.917 170.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -48.8 -56.11 9.62 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.531 1.132 . . . . 10.0 112.231 169.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -52.56 -46.01 66.66 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.333 1.453 . . . . 10.0 112.15 175.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.5 mt -62.93 -44.47 99.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 124.374 1.069 . . . . 10.0 110.168 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -62.14 -46.29 89.67 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.37 1.068 . . . . 10.0 110.221 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -61.08 -43.67 98.53 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.157 0.889 . . . . 10.0 111.407 174.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.69 -19.7 41.92 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.782 1.03 . . . . 10.0 113.782 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.5 mt -113.32 15.77 19.16 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.614 1.166 . . . . 10.0 113.162 171.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.74 11.56 66.07 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.7 1.619 . . . . 10.0 114.703 174.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.2 mt -57.24 -44.68 99.8 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 124.693 1.197 . . . . 10.0 113.003 -169.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.27 -26.44 82.62 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.058 1.838 . . . . 10.0 115.444 171.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -77.25 -36.83 54.15 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.231 -0.918 . . . . 10.0 110.861 171.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.03 -34.81 72.33 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.269 0.941 . . . . 10.0 111.18 169.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 N--CA 1.479 1.025 0 C-N-CA 124.793 1.237 . . . . 10.0 111.611 169.915 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.445 -0.697 0 N-CA-C 104.236 -2.505 . . . . 10.0 104.236 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.82 -20.67 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-O 119.206 -0.426 . . . . 10.0 111.145 -170.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 86.5 p -105.13 -9.43 0.12 Allowed Pre-proline 0 C--O 1.212 -0.876 0 N-CA-C 119.47 3.137 . . . . 10.0 119.47 -174.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -60.83 -22.44 73.79 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 CA-C-N 126.313 3.29 . . . . 10.0 115.774 -168.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 17.2 p -80.61 -57.16 3.7 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.02 0.528 . . . . 10.0 110.806 169.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.18 -27.48 63.88 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 125.233 1.413 . . . . 10.0 112.819 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 44.4 tp -58.63 -33.34 69.93 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 128.686 2.794 . . . . 10.0 111.639 171.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -90.27 -59.73 2.11 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.021 0.928 . . . . 10.0 109.918 169.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.33 -41.53 24.64 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 117.922 2.564 . . . . 10.0 117.922 -168.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 tp -72.17 -36.07 69.19 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 120.406 1.457 . . . . 10.0 108.325 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.68 -58.8 6.11 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.005 1.322 . . . . 10.0 110.289 169.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 20.5 ttp85 -47.69 -49.62 27.29 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 126.345 1.858 . . . . 10.0 112.609 170.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . 0.5 HG21 ' HA ' ' B' ' 76' ' ' VAL . 1.0 OUTLIER -60.96 -19.85 61.5 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 127.693 2.397 . . . . 10.0 115.319 -177.389 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.783 HD22 HD13 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -117.88 -17.2 9.83 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.278 1.214 . . . . 10.0 114.278 170.271 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -59.07 -37.32 76.8 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 107.649 -1.241 . . . . 10.0 107.649 167.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 7.8 p -79.3 110.45 15.08 Favored Pre-proline 0 CA--C 1.551 1.017 0 N-CA-C 102.098 -3.297 . . . . 10.0 102.098 165.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -67.76 156.42 66.06 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.237 1.958 . . . . 10.0 115.968 -167.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 24.8 p -58.67 -16.15 14.99 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 115.802 1.779 . . . . 10.0 115.802 -168.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.7 t -47.74 -68.17 0.34 Allowed Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 125.545 1.538 . . . . 10.0 113.13 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -81.03 -20.66 7.29 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.132 1.888 . . . . 10.0 111.84 168.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -82.63 69.79 9.48 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.357 1.463 . . . . 10.0 112.323 -173.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -55.95 169.47 0.37 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.511 2.324 . . . . 10.0 114.522 169.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -39.76 70.23 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 115.693 1.738 . . . . 10.0 115.693 -170.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 11.0 pm0 -50.05 -53.02 29.79 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 120.219 1.372 . . . . 10.0 114.068 -169.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . 0.424 ' NE2' HG23 ' B' ' 63' ' ' THR . 1.9 pp0? -72.3 -33.17 67.21 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 117.819 -1.086 . . . . 10.0 113.782 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.5 ' HA ' HG21 ' B' ' 63' ' ' THR . 2.6 t -70.24 -54.4 18.85 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 CA-C-N 119.829 1.195 . . . . 10.0 107.966 176.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.97 -36.21 76.63 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.992 1.317 . . . . 10.0 110.034 -173.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -61.42 -34.98 76.29 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 114.431 1.271 . . . . 10.0 114.431 174.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 18.5 mt -90.32 -39.11 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 119.577 1.081 . . . . 10.0 110.584 178.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.3 mt -40.57 -50.79 2.99 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 128.336 2.655 . . . . 10.0 111.966 171.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 35.1 pttt -58.95 -23.66 61.77 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.809 1.04 . . . . 10.0 113.809 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 57.8 p -83.31 -11.86 57.26 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 114.552 1.316 . . . . 10.0 114.552 -173.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -123.38 99.52 39.81 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 105.927 -1.879 . . . . 10.0 105.927 169.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.89 -30.18 17.38 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 123.317 2.678 . . . . 10.0 111.977 -169.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -67.0 -46.44 74.54 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.202 1.001 . . . . 10.0 110.694 172.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.91 -37.87 88.99 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 124.395 1.078 . . . . 10.0 110.082 174.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -52.21 66.44 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.506 1.048 . . . . 10.0 111.338 174.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.03 -43.63 98.6 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.107 0.41 . . . . 10.0 112.107 174.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.39 90.9 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.139 -0.975 . . . . 10.0 112.46 175.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -57.55 -57.55 12.19 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 124.784 1.233 . . . . 10.0 108.276 170.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 95.5 mt -52.8 -58.81 2.16 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 O-C-N 123.393 0.433 . . . . 10.0 110.766 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.54 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.8 OUTLIER -60.84 -53.75 53.56 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 121.478 -0.764 . . . . 10.0 112.769 -176.49 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.424 HE21 ' CB ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -70.7 -38.39 73.66 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 116.018 -1.944 . . . . 10.0 110.746 -175.806 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -56.69 -42.45 79.09 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 122.604 2.457 . . . . 10.0 111.185 170.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 1.9 m -56.93 -44.97 83.02 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.006 0.523 . . . . 10.0 111.859 175.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.63 90.33 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.926 0.89 . . . . 10.0 113.285 172.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -42.96 61.03 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.11 1.764 . . . . 10.0 110.91 173.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -60.69 -60.72 3.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 118.633 -0.699 . . . . 10.0 112.069 173.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 N--CA 1.474 0.772 0 CA-C-N 119.7 1.136 . . . . 10.0 113.408 -177.677 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 . . . . . 0 N--CA 1.472 0.631 0 CA-C-O 118.377 -0.82 . . . . 10.0 111.989 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.01 -40.91 95.59 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 118.977 0.808 . . . . 10.0 111.991 -169.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.98 -42.48 94.52 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 117.855 -1.069 . . . . 10.0 112.151 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.557 HD22 ' C ' ' A' ' 9' ' ' LEU 0.328 0.0 OUTLIER -74.73 -36.6 62.64 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 120.375 1.443 . . . . 10.0 111.262 -179.268 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.9 tp -56.05 -49.24 74.29 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 127.233 2.213 . . . . 10.0 109.875 170.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.415 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 83.8 m-20 -56.23 -55.66 30.53 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 123.579 0.752 . . . . 10.0 112.141 178.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -65.42 -30.87 71.72 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.761 -0.587 . . . . 10.0 112.525 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.3 tp -76.77 -40.96 46.53 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-O 117.533 -1.223 . . . . 10.0 111.775 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.415 ' CE1' ' HA ' ' A' ' 11' ' ' ASP . 1.8 p-80 -71.11 -25.5 62.62 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.593 1.542 . . . . 10.0 111.543 174.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.4 m -66.3 -49.89 65.52 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 117.94 -1.029 . . . . 10.0 110.582 169.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 tp -52.32 -53.83 39.39 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.407 1.003 . . . . 10.0 110.338 169.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.422 HD12 HD22 ' B' ' 64' ' ' LEU . 0.2 OUTLIER -66.33 -4.03 7.16 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 115.544 1.683 . . . . 10.0 115.544 -175.605 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.4 t -143.83 24.2 1.69 Allowed 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.972 1.101 . . . . 10.0 113.972 175.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -52.6 -10.31 0.15 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 128.59 2.756 . . . . 10.0 118.23 -169.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.278 39.3 p 124.92 -17.51 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.926 1 C-N-CA 133.888 4.875 . . . . 10.0 112.055 176.861 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -65.53 160.53 22.13 Favored 'General case' 0 CA--C 1.553 1.061 0 CA-C-O 122.88 1.324 . . . . 10.0 112.057 169.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.02 -8.63 0.61 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.678 2.391 . . . . 10.0 113.985 168.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.7 m -49.3 -41.87 39.53 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 128.546 2.738 . . . . 10.0 115.693 -167.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.13 -3.12 8.27 Favored Glycine 0 N--CA 1.468 0.767 0 C-N-CA 124.249 0.928 . . . . 10.0 113.352 169.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 mp -70.93 -22.59 62.22 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.236 -1.156 . . . . 10.0 109.402 169.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.17 -52.67 2.57 Favored 'General case' 0 C--N 1.346 0.448 0 C-N-CA 127.77 2.428 . . . . 10.0 114.024 175.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.73 -50.91 70.79 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.969 0.804 . . . . 10.0 112.176 176.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 mm -62.33 -40.22 87.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 124.13 0.972 . . . . 10.0 109.658 -176.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -78.07 -31.25 50.09 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 117.716 -1.135 . . . . 10.0 113.464 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.5 ptt-85 -70.44 -37.51 74.38 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.963 1.256 . . . . 10.0 111.017 169.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.47 -20.11 52.77 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.877 1.065 . . . . 10.0 113.877 172.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.8 mt -111.38 9.49 21.5 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.927 1.691 . . . . 10.0 112.655 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.35 12.69 58.96 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.754 1.169 . . . . 10.0 115.239 176.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.6 mt -53.3 -47.52 95.78 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-O 117.337 -1.316 . . . . 10.0 112.759 -171.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -55.28 -19.15 20.63 Favored 'Trans proline' 0 CA--C 1.545 1.047 0 C-N-CA 123.808 3.005 . . . . 10.0 115.928 172.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -90.64 -36.52 14.34 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 120.264 1.393 . . . . 10.0 111.694 169.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.5 mt -58.13 -29.11 65.27 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.009 -1.057 . . . . 10.0 111.37 169.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 N--CA 1.472 0.672 0 C-N-CA 126.452 1.901 . . . . 10.0 110.162 169.502 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 96.8 p . . . . . 0 C--O 1.238 0.463 0 N-CA-C 105.498 -2.038 . . . . 10.0 105.498 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.42 ' H ' HD12 ' B' ' 52' ' ' ILE . 2.2 mp -90.15 -28.67 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.367 -169.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 6.8 p -100.07 11.9 0.05 OUTLIER Pre-proline 0 CA--C 1.551 1.0 0 N-CA-C 118.043 2.609 . . . . 10.0 118.043 -176.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -63.63 -13.64 37.84 Favored 'Trans proline' 0 CA--C 1.547 1.15 0 CA-C-N 126.933 3.512 . . . . 10.0 113.685 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 15.0 p -83.74 -51.89 6.87 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.766 1.627 . . . . 10.0 110.948 168.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.73 -24.85 58.99 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 125.256 1.422 . . . . 10.0 113.079 170.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 42.0 tp -57.57 -25.2 59.64 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.928 2.091 . . . . 10.0 111.826 169.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -93.44 -57.74 2.5 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.891 0.877 . . . . 10.0 109.798 169.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -81.62 -39.27 24.73 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 117.186 2.291 . . . . 10.0 117.186 -169.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.66 -32.88 64.22 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.591 1.087 . . . . 10.0 109.608 173.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 tp -58.11 -59.59 5.05 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.538 -0.744 . . . . 10.0 110.88 171.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -34.56 72.23 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.816 1.189 . . . . 10.0 112.654 175.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . 0.482 HG23 ' NE2' ' B' ' 75' ' ' GLN . 5.5 m -57.81 -29.88 65.27 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 127.598 2.359 . . . . 10.0 115.956 177.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.422 HD22 HD12 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -112.13 -19.59 12.23 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.517 0.932 . . . . 10.0 113.517 173.874 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -63.45 -36.92 85.33 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.423 -0.955 . . . . 10.0 108.423 168.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 8.3 p -70.87 115.86 40.27 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 103.989 -2.597 . . . . 10.0 103.989 167.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -58.85 146.3 93.63 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 N-CA-C 117.763 2.178 . . . . 10.0 117.763 -168.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 99.8 p -53.37 -28.14 27.61 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 127.753 2.421 . . . . 10.0 114.204 -169.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.7 t -40.85 -72.99 0.1 OUTLIER Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 126.432 1.893 . . . . 10.0 114.7 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -79.1 -11.44 14.85 Favored 'Trans proline' 0 CA--C 1.546 1.078 0 C-N-CA 122.856 2.371 . . . . 10.0 113.487 169.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -89.59 -0.95 57.86 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.642 1.349 . . . . 10.0 114.642 -172.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -15.09 56.02 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 128.755 2.822 . . . . 10.0 115.003 175.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -64.37 172.22 2.68 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 125.195 1.398 . . . . 10.0 113.237 174.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -48.94 -19.05 0.34 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 127.909 2.484 . . . . 10.0 116.682 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . 0.482 ' NE2' HG23 ' B' ' 63' ' ' THR . 1.3 pp0? -59.59 -32.39 70.34 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 120.41 1.459 . . . . 10.0 114.278 -176.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.32 -53.49 32.17 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 N-CA-C 107.328 -1.36 . . . . 10.0 107.328 174.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.63 -37.25 83.3 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.475 1.11 . . . . 10.0 110.405 -171.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -61.93 -34.35 75.94 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.69 1.596 . . . . 10.0 113.758 175.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.6 mt -90.61 -38.04 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 119.409 1.004 . . . . 10.0 110.68 176.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.6 mt -42.91 -49.23 5.92 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 128.248 2.619 . . . . 10.0 111.794 173.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -59.94 -14.15 14.42 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.325 1.602 . . . . 10.0 115.325 -175.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 89.8 p -71.77 -56.92 4.87 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.066 1.346 . . . . 10.0 113.75 -175.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -90.09 107.96 22.97 Favored Pre-proline 0 CA--C 1.544 0.719 0 CA-C-N 119.17 0.895 . . . . 10.0 109.579 172.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -66.05 -32.45 43.93 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 122.502 2.135 . . . . 10.0 112.265 -176.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -66.25 -45.96 78.78 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 123.878 0.871 . . . . 10.0 109.997 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.5 -42.63 96.74 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.831 0.852 . . . . 10.0 110.806 172.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -49.71 76.36 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.734 0.697 . . . . 10.0 111.448 177.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.36 -42.1 99.13 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.387 -0.82 . . . . 10.0 112.052 174.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.26 -42.43 99.33 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.489 1.116 . . . . 10.0 112.543 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.418 ' CD1' ' HG ' ' A' ' 17' ' ' LEU . 34.8 t80 -55.27 -54.59 41.56 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 124.257 1.023 . . . . 10.0 110.126 171.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 96.3 mt -53.39 -56.03 10.24 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 123.564 0.746 . . . . 10.0 110.343 176.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -57.51 -57.43 12.74 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.833 0.853 . . . . 10.0 112.399 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -39.72 92.3 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 117.649 -1.167 . . . . 10.0 111.246 -175.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 38.5 mmm-85 -58.61 -44.3 89.89 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.744 1.611 . . . . 10.0 111.882 171.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -61.04 -42.47 98.53 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 118.611 -0.709 . . . . 10.0 110.493 175.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.77 -53.51 57.11 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.563 1.145 . . . . 10.0 113.15 174.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -45.63 -49.65 14.09 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 127.361 2.264 . . . . 10.0 110.067 170.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -63.44 -59.22 4.95 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 117.132 -1.414 . . . . 10.0 113.613 174.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.476 0.828 0 CA-C-N 121.391 1.905 . . . . 10.0 113.117 -173.371 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 116.525 -1.703 . . . . 10.0 108.19 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -115.1 21.56 13.18 Favored Glycine 0 CA--C 1.534 1.246 0 CA-C-N 121.768 2.077 . . . . 10.0 112.531 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . 0.275 2.3 mt-30 -1.29 79.29 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 130.894 3.678 . . . . 10.0 116.341 -171.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.7 m -132.75 -73.48 0.51 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 129.092 2.957 . . . . 10.0 109.187 -172.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -83.17 -31.79 26.94 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 108.15 -1.055 . . . . 10.0 108.15 170.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.14 -45.04 95.23 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 125.915 1.686 . . . . 10.0 110.397 173.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -63.1 -56.21 18.82 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 118.74 -0.647 . . . . 10.0 110.774 173.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.42 85.44 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.304 -0.855 . . . . 10.0 112.777 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.511 HD22 ' C ' ' A' ' 9' ' ' LEU 0.337 0.0 OUTLIER -77.21 -32.43 55.95 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 119.297 0.953 . . . . 10.0 111.733 178.535 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.3 tp -60.82 -48.68 80.69 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.822 1.249 . . . . 10.0 110.706 169.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -55.4 -54.15 47.25 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.923 0.889 . . . . 10.0 112.53 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -65.28 -32.64 74.4 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.902 -0.57 . . . . 10.0 111.443 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 tp -73.86 -42.48 60.73 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-O 117.621 -1.18 . . . . 10.0 111.369 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -72.32 -25.78 61.69 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.459 1.482 . . . . 10.0 111.37 175.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.4 m -65.22 -50.66 65.01 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-O 118.201 -0.904 . . . . 10.0 110.567 170.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.442 HD22 HD12 ' B' ' 61' ' ' LEU . 4.2 tp -51.2 -57.93 7.48 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.947 1.248 . . . . 10.0 110.352 170.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.619 HD12 HD22 ' B' ' 64' ' ' LEU . 2.8 tp -70.81 0.17 7.73 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.883 1.273 . . . . 10.0 113.894 -171.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.446 ' C ' ' H ' ' A' ' 20' ' ' THR . 52.2 p -143.9 21.85 1.77 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.271 1.212 . . . . 10.0 114.271 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -57.42 4.72 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 129.591 3.156 . . . . 10.0 116.66 -173.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.446 ' H ' ' C ' ' A' ' 18' ' ' SER . 5.2 p 130.32 -85.04 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.415 1 C-N-CA 136.447 5.899 . . . . 10.0 103.096 -169.463 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -151.35 -173.77 4.61 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.789 1.177 . . . . 10.0 112.382 -176.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.24 139.52 9.59 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 128.339 2.656 . . . . 10.0 106.756 168.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.0 t -55.53 -19.82 11.1 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 118.266 2.691 . . . . 10.0 118.266 -168.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.06 -14.59 24.21 Favored Glycine 0 CA--C 1.533 1.213 0 CA-C-N 119.843 1.201 . . . . 10.0 113.83 169.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 tp -53.71 -26.04 21.23 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 126.313 1.845 . . . . 10.0 114.028 170.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -57.25 -46.19 83.25 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.671 0.668 . . . . 10.0 111.589 169.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -65.39 -46.98 77.93 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 118.457 -0.782 . . . . 10.0 110.535 175.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.2 mm -57.15 -38.7 62.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 118.634 0.652 . . . . 10.0 110.825 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -65.99 -54.14 29.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.153 0.981 . . . . 10.0 111.291 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.1 ptt85 -66.25 -30.59 71.06 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.079 -1.013 . . . . 10.0 113.635 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.54 -19.92 62.67 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.761 1.164 . . . . 10.0 113.088 169.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.6 mt -110.38 13.13 22.92 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.417 1.887 . . . . 10.0 112.142 174.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.54 12.74 41.66 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.557 1.551 . . . . 10.0 115.514 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.282 42.1 mt -53.23 -48.0 93.92 Favored Pre-proline 0 N--CA 1.468 0.458 0 CA-C-O 117.052 -1.451 . . . . 10.0 113.703 -169.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -56.35 -20.35 32.09 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.998 2.465 . . . . 10.0 116.248 172.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -83.88 -45.83 12.8 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.313 1.045 . . . . 10.0 109.48 169.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.0 mt -54.41 -27.24 35.52 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.55 1.14 . . . . 10.0 113.142 175.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.7 t -56.19 -60.09 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 125.482 1.513 . . . . 10.0 110.745 169.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -23.94 65.98 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 112.914 0.709 . . . . 10.0 112.914 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -68.63 -19.7 64.44 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.72 0.691 . . . . 10.0 112.552 168.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.04 16.85 62.25 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 125.045 1.307 . . . . 10.0 114.881 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.66 -30.25 65.28 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.412 1.606 . . . . 10.0 113.292 -172.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.04 -31.11 66.7 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.576 1.15 . . . . 10.0 113.608 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.3 mt -87.62 -14.34 40.31 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.868 1.667 . . . . 10.0 113.2 -176.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -76.93 144.69 72.78 Favored Pre-proline 0 CA--C 1.544 0.732 0 O-C-N 121.706 -0.621 . . . . 10.0 111.595 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -71.87 -12.09 28.21 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 122.845 2.364 . . . . 10.0 113.005 169.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.149 0 C-N-CA 126.289 1.836 . . . . 10.0 111.963 171.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo . . . . . 0 N--CA 1.485 1.008 0 N-CA-C 106.456 -2.171 . . . . 10.0 106.456 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -159.8 -62.45 0.07 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.563 1.545 . . . . 10.0 110.881 -168.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -62.04 -72.12 0.13 Allowed 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 105.073 -2.195 . . . . 10.0 105.073 168.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.17 138.25 31.67 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 103.56 -2.756 . . . . 10.0 103.56 166.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.479 ' H ' HD12 ' B' ' 52' ' ' ILE . 2.5 mp -90.52 -27.13 5.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 123.705 0.802 . . . . 10.0 110.643 -171.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 2.3 p -101.54 12.45 0.06 OUTLIER Pre-proline 0 CA--C 1.553 1.096 0 C-N-CA 127.561 2.344 . . . . 10.0 116.999 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -68.7 -13.26 36.69 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 124.046 3.164 . . . . 10.0 113.148 -172.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 12.8 p -86.4 -49.39 7.67 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.983 1.713 . . . . 10.0 110.971 169.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.24 -24.73 56.67 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.921 1.689 . . . . 10.0 112.068 170.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 48.7 tp -54.84 -30.08 56.66 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 125.652 1.581 . . . . 10.0 111.108 169.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -90.91 -58.77 2.36 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 169.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.2 -37.68 45.0 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 118.43 2.752 . . . . 10.0 118.43 -168.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.9 tp -76.08 -34.16 59.54 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.787 1.63 . . . . 10.0 110.453 173.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.442 HD12 HD22 ' A' ' 16' ' ' LEU . 19.6 tp -58.79 -59.64 5.1 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.953 0.901 . . . . 10.0 110.183 171.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -27.61 69.52 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.848 1.203 . . . . 10.0 112.492 176.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 17.8 m -62.98 -21.3 66.03 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 114.818 1.414 . . . . 10.0 114.818 172.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.619 HD22 HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -117.51 -22.04 8.33 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 113.813 1.042 . . . . 10.0 113.813 171.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -63.52 -41.24 98.5 Favored 'General case' 0 C--N 1.345 0.385 0 N-CA-C 108.255 -1.017 . . . . 10.0 108.255 168.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 67.1 p -80.35 111.82 25.72 Favored Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 102.959 -2.978 . . . . 10.0 102.959 166.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -52.16 150.68 18.68 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.437 2.091 . . . . 10.0 116.967 -168.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 23.8 m -61.83 23.69 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.752 2.021 . . . . 10.0 115.854 174.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -90.09 -68.12 0.11 Allowed Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 124.805 1.242 . . . . 10.0 107.707 168.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.16 -25.28 26.93 Favored 'Trans proline' 0 C--N 1.357 0.975 0 CA-C-N 121.583 1.601 . . . . 10.0 110.397 168.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -90.48 24.58 2.56 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.845 1.658 . . . . 10.0 114.635 169.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -64.91 -20.08 66.26 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 115.236 1.569 . . . . 10.0 115.236 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.448 ' NE2' ' H ' ' B' ' 73' ' ' GLN . 0.0 OUTLIER -79.85 172.86 13.22 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 123.105 1.431 . . . . 10.0 113.052 -170.506 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -55.72 1.5 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 128.609 2.763 . . . . 10.0 114.412 170.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.7 -23.99 65.3 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 120.664 1.574 . . . . 10.0 112.332 170.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.38 -54.9 19.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 N-CA-C 106.902 -1.518 . . . . 10.0 106.902 169.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -35.45 73.81 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.034 1.734 . . . . 10.0 112.032 -172.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -70.4 -29.28 65.86 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.603 1.161 . . . . 10.0 113.987 176.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 9.0 mt -90.64 -36.12 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 120.704 1.593 . . . . 10.0 111.017 172.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 mt -41.49 -50.74 3.94 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 128.635 2.774 . . . . 10.0 111.425 175.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -59.93 -19.29 51.03 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 115.486 1.661 . . . . 10.0 115.486 -175.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 75.3 p -66.32 -52.54 46.13 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.671 1.188 . . . . 10.0 113.77 -170.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -92.89 108.73 34.36 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 108.536 -0.913 . . . . 10.0 108.536 169.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -64.39 -32.58 60.46 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.754 2.303 . . . . 10.0 111.821 -174.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -70.5 -39.43 74.15 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.622 0.769 . . . . 10.0 111.146 175.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.33 -46.18 90.82 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.866 0.757 . . . . 10.0 109.642 170.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -50.23 74.28 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.844 0.747 . . . . 10.0 111.839 177.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.82 98.14 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.183 -0.948 . . . . 10.0 112.919 175.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.09 91.31 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.341 1.057 . . . . 10.0 112.055 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -57.79 -61.2 2.7 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 107.712 -1.218 . . . . 10.0 107.712 169.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 69.6 mt -55.11 -46.01 77.32 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 119.508 1.049 . . . . 10.0 111.492 -175.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -57.57 -60.05 4.26 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 124.675 1.19 . . . . 10.0 111.723 175.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -32.03 69.76 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 119.172 0.896 . . . . 10.0 111.424 -176.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -55.43 -54.04 48.71 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.723 1.601 . . . . 10.0 109.014 169.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 1.5 m -59.48 -42.8 92.91 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.639 0.375 . . . . 10.0 111.948 176.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.08 -47.5 85.03 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.16 0.984 . . . . 10.0 112.885 175.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -40.33 73.71 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 124.68 1.192 . . . . 10.0 110.619 174.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -68.22 -53.31 25.69 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 117.937 -1.03 . . . . 10.0 113.061 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 30.9 m -60.76 -29.24 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 120.689 1.586 . . . . 10.0 111.509 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.78 3.15 5.47 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.454 1.279 . . . . 10.0 114.454 170.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -130.75 -44.05 1.09 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.376 1.87 . . . . 10.0 113.093 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -145.09 69.43 14.29 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 128.719 2.808 . . . . 10.0 110.56 -173.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -74.92 -33.11 4.95 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.786 2.324 . . . . 10.0 113.428 -174.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 65.99 -70.28 0.13 Allowed Glycine 0 CA--C 1.529 0.96 0 C-N-CA 125.197 1.38 . . . . 10.0 112.966 -173.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.6 6.41 1.65 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.271 1.828 . . . . 10.0 114.087 172.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 . . . . . 0 C--O 1.251 1.133 0 CA-C-O 116.822 -1.561 . . . . 10.0 110.588 178.16 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.464 0 CA-C-O 121.408 0.623 . . . . 10.0 110.85 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -135.9 6.37 4.08 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.827 1.203 . . . . 10.0 114.553 170.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 71.26 -19.24 0.25 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.855 2.062 . . . . 10.0 113.485 -170.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.5 p -67.48 -57.88 5.73 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 128.623 2.769 . . . . 10.0 111.564 169.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -61.09 -35.17 76.28 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.386 0.674 . . . . 10.0 111.288 177.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.402 ' HG3' ' H ' ' B' ' 52' ' ' ILE . 2.4 tm-20 -46.4 -39.9 11.19 Favored 'General case' 0 C--O 1.212 -0.899 0 C-N-CA 126.079 1.752 . . . . 10.0 111.955 175.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -35.44 69.83 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 121.387 1.903 . . . . 10.0 113.243 -176.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.07 -43.14 58.82 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.9 0.773 . . . . 10.0 111.47 174.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.06 -40.08 92.31 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.223 1.009 . . . . 10.0 110.855 176.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.4 tp -63.62 -49.33 73.73 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 130.653 3.581 . . . . 10.0 110.945 175.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -57.93 -53.35 59.2 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 123.357 0.663 . . . . 10.0 112.019 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -66.0 -34.46 78.14 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.102 0.865 . . . . 10.0 112.815 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 mt -71.46 -43.23 67.04 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 119.59 1.086 . . . . 10.0 112.788 174.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -71.28 -28.59 64.24 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 121.508 1.958 . . . . 10.0 111.191 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.2 m -63.38 -53.39 53.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 118.092 -0.956 . . . . 10.0 109.627 169.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.456 HD22 HD12 ' B' ' 61' ' ' LEU . 4.7 tp -50.9 -55.8 15.36 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 119.37 0.987 . . . . 10.0 111.442 170.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.624 HD12 HD22 ' B' ' 64' ' ' LEU . 3.2 tp -73.65 -2.49 23.32 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.044 1.127 . . . . 10.0 114.044 -171.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.8 p -136.69 10.7 3.15 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -43.7 -6.42 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.021 1 C-N-CA 131.834 4.054 . . . . 10.0 120.323 -169.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.1 p 121.02 -28.57 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.422 1 C-N-CA 133.95 4.9 . . . . 10.0 112.588 -176.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -61.76 162.57 8.51 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 123.295 1.521 . . . . 10.0 113.324 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.25 -15.88 1.44 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.06 2.144 . . . . 10.0 113.201 169.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 m -47.68 -45.35 28.2 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 127.118 2.167 . . . . 10.0 116.03 -169.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -127.59 28.09 4.54 Favored Glycine 0 N--CA 1.472 1.038 0 C-N-CA 124.993 1.282 . . . . 10.0 112.538 172.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 mt -110.42 -29.88 7.91 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 124.633 1.173 . . . . 10.0 109.217 169.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.34 -40.39 59.02 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.525 2.33 . . . . 10.0 113.21 176.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -60.33 -53.17 60.78 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.378 1.471 . . . . 10.0 112.662 169.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 mm -62.14 -39.19 83.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 124.398 1.079 . . . . 10.0 110.094 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -65.67 -49.52 68.28 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.704 2.002 . . . . 10.0 110.363 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.9 ptt-85 -64.62 -38.33 90.65 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.659 1.118 . . . . 10.0 112.392 175.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.63 -19.9 52.31 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 119.245 0.93 . . . . 10.0 113.321 173.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.0 mt -112.89 13.52 19.63 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.968 1.707 . . . . 10.0 112.548 175.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.88 11.57 44.45 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 126.384 1.945 . . . . 10.0 115.784 177.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.25 35.7 mt -52.08 -45.33 93.55 Favored Pre-proline 0 N--CA 1.472 0.63 0 CA-C-O 117.245 -1.36 . . . . 10.0 113.621 -169.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -57.75 -24.17 62.08 Favored 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 122.649 2.232 . . . . 10.0 116.007 174.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -79.12 -35.05 42.8 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 120.07 1.304 . . . . 10.0 111.324 170.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.95 -40.9 90.57 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.465 -0.772 . . . . 10.0 110.251 169.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.2 t -62.2 -51.95 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 126.158 1.783 . . . . 10.0 111.598 172.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -50.65 -51.17 51.61 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.469 1.108 . . . . 10.0 111.439 174.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -65.99 -19.85 66.0 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.573 1.323 . . . . 10.0 114.573 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.11 19.4 62.86 Favored Glycine 0 CA--C 1.538 1.48 0 CA-C-O 118.481 -1.177 . . . . 10.0 114.075 -177.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -68.15 42.76 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 127.0 2.12 . . . . 10.0 114.352 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.9 -3.21 35.73 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 119.281 -2.137 . . . . 10.0 114.753 -172.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.0 mt -117.71 -25.98 6.7 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.726 1.148 . . . . 10.0 113.723 -169.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.54 158.11 88.55 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 125.379 1.471 . . . . 10.0 109.912 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -68.78 16.07 0.17 Allowed 'Trans proline' 0 CA--C 1.554 1.494 0 C-N-CA 124.815 3.677 . . . . 10.0 115.815 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.17 0 C-N-CA 127.554 2.342 . . . . 10.0 110.388 169.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo . . . . . 0 C--O 1.241 0.666 0 N-CA-C 109.841 -0.869 . . . . 10.0 109.841 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -122.28 -16.69 7.33 Favored 'General case' 0 C--N 1.36 1.065 0 N-CA-C 115.214 1.561 . . . . 10.0 115.214 -167.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.433 ' CZ ' ' HA ' ' B' ' 50' ' ' ARG . 2.9 mmp_? -116.64 -62.29 1.61 Allowed 'General case' 0 C--N 1.342 0.265 0 N-CA-C 106.295 -1.743 . . . . 10.0 106.295 166.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 49.1 m -79.15 116.87 19.7 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 105.918 -1.882 . . . . 10.0 105.918 166.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.402 ' H ' ' HG3' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -90.88 -10.07 10.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 123.566 0.747 . . . . 10.0 112.726 -170.263 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 61.9 p -103.91 0.74 0.1 OUTLIER Pre-proline 0 CA--C 1.546 0.816 0 N-CA-C 118.973 2.953 . . . . 10.0 118.973 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -64.93 -19.45 63.99 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 CA-C-N 124.82 2.757 . . . . 10.0 114.655 -172.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 13.1 p -84.05 -47.19 11.2 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.895 0.878 . . . . 10.0 111.375 169.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.98 -30.03 63.75 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.46 1.504 . . . . 10.0 112.555 172.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 44.0 tp -56.02 -19.9 14.59 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 127.178 2.191 . . . . 10.0 112.036 170.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -104.31 -59.89 1.67 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 123.897 0.879 . . . . 10.0 108.915 168.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.15 -37.57 53.68 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 116.208 1.929 . . . . 10.0 116.208 -169.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 tp -79.94 -36.64 35.94 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 120.576 1.535 . . . . 10.0 110.113 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.456 HD12 HD22 ' A' ' 16' ' ' LEU . 23.7 tp -61.42 -50.72 71.69 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 125.262 1.425 . . . . 10.0 111.656 174.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 -62.66 -34.0 76.2 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.932 1.242 . . . . 10.0 112.264 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 5.1 m -64.53 -21.89 66.81 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.502 1.521 . . . . 10.0 114.502 -177.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.624 HD22 HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -115.89 -15.92 11.19 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.986 1.106 . . . . 10.0 113.986 170.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -64.14 -41.16 97.29 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 107.513 -1.291 . . . . 10.0 107.513 167.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 10.4 p -69.54 126.04 92.36 Favored Pre-proline 0 CA--C 1.548 0.879 0 N-CA-C 104.4 -2.444 . . . . 10.0 104.4 167.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -60.24 147.93 91.76 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 N-CA-C 117.59 2.112 . . . . 10.0 117.59 -168.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 82.5 p -58.68 -10.93 2.6 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.9 2.48 . . . . 10.0 114.539 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.4 t -64.91 -67.62 1.0 Allowed Pre-proline 0 CA--C 1.544 0.736 0 CA-C-O 117.511 -1.233 . . . . 10.0 111.824 170.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.79 -26.19 27.68 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 CA-C-N 122.301 1.857 . . . . 10.0 112.634 169.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -84.73 17.92 2.58 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.634 1.346 . . . . 10.0 114.634 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -54.18 -38.72 65.9 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 128.555 2.742 . . . . 10.0 115.353 -173.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.51 ' NE2' ' H ' ' B' ' 73' ' ' GLN . 2.1 pm0 -86.69 -179.39 6.57 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.183 1.393 . . . . 10.0 114.059 -169.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -63.1 5.94 0.13 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.172 2.189 . . . . 10.0 115.322 -169.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -63.47 -23.75 67.53 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 121.103 1.774 . . . . 10.0 113.288 175.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.04 -52.09 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 107.758 -1.201 . . . . 10.0 107.758 169.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.402 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 0.5 OUTLIER -60.52 -40.06 90.05 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 126.104 1.762 . . . . 10.0 111.376 -174.43 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -62.95 -30.48 71.6 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.894 1.278 . . . . 10.0 113.25 176.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 32.9 mt -88.53 -45.49 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 119.634 1.106 . . . . 10.0 110.458 172.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 5.6 mt -39.75 -52.14 2.32 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 128.481 2.713 . . . . 10.0 111.951 176.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -57.46 -20.4 30.4 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.886 1.069 . . . . 10.0 113.886 -176.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 65.6 p -80.7 -6.44 58.43 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.63 1.345 . . . . 10.0 114.63 175.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -127.45 73.19 77.84 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 119.285 0.948 . . . . 10.0 111.254 -170.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -37.94 -60.34 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 125.143 3.896 . . . . 10.0 117.286 -171.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -60.49 -41.75 94.89 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.791 0.723 . . . . 10.0 112.091 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.65 -36.51 76.14 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 123.32 0.648 . . . . 10.0 111.724 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -48.85 80.04 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.035 0.834 . . . . 10.0 111.091 171.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.36 95.7 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.486 0.584 . . . . 10.0 112.224 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.47 87.48 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-O 118.621 -0.704 . . . . 10.0 112.588 176.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -58.72 -59.5 5.32 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 117.82 -1.086 . . . . 10.0 109.465 169.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 71.6 mt -49.9 -50.46 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 CA-C-N 119.239 0.927 . . . . 10.0 111.122 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.556 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.1 OUTLIER -60.98 -60.0 4.48 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.558 0.743 . . . . 10.0 112.238 -179.626 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -34.94 78.32 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-O 117.719 -1.134 . . . . 10.0 111.283 -175.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -56.36 -50.73 70.69 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 121.435 1.925 . . . . 10.0 111.128 170.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 3.2 m -57.71 -45.86 85.16 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 122.524 0.329 . . . . 10.0 111.662 177.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.1 83.34 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.252 1.021 . . . . 10.0 113.387 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -45.43 66.85 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.359 1.464 . . . . 10.0 110.055 174.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -65.93 -55.76 15.21 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 117.247 -1.358 . . . . 10.0 112.802 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 26.0 m -55.99 -25.78 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 121.154 1.797 . . . . 10.0 113.692 -173.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.08 -2.34 58.09 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 116.693 2.108 . . . . 10.0 116.693 173.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -141.27 -35.13 0.47 Allowed 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 120.156 1.344 . . . . 10.0 114.01 -169.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -135.97 79.07 45.95 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 129.235 3.014 . . . . 10.0 106.288 170.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -69.39 159.99 51.54 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.501 2.134 . . . . 10.0 112.738 -172.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -88.34 -70.78 1.27 Allowed Glycine 0 C--N 1.34 0.787 0 C-N-CA 124.4 1.0 . . . . 10.0 112.157 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 24.0 ptp -141.36 29.36 1.79 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.306 1.442 . . . . 10.0 111.517 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.001 0 C-N-CA 127.372 2.269 . . . . 10.0 111.989 -170.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.23 27.51 0.13 Allowed Glycine 0 CA--C 1.528 0.895 0 CA-C-O 118.44 -1.2 . . . . 10.0 114.006 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 62.61 -36.95 0.14 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 128.199 2.599 . . . . 10.0 115.479 -175.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.1 t -65.71 -27.58 68.43 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.558 1.072 . . . . 10.0 113.471 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -82.02 -47.22 12.91 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.495 0.718 . . . . 10.0 109.66 169.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -46.1 -45.62 16.47 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 126.385 1.874 . . . . 10.0 111.409 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.565 ' HE ' HD23 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -57.85 -46.92 84.09 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 113.775 1.028 . . . . 10.0 113.775 -172.466 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.67 90.58 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.307 0.958 . . . . 10.0 111.744 174.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.2 mt -68.66 -41.87 78.69 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.063 1.345 . . . . 10.0 110.794 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.565 HD23 ' HE ' ' A' ' 7' ' ' ARG . 56.7 tp -59.83 -54.2 49.05 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 128.666 2.786 . . . . 10.0 110.208 170.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.421 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 78.4 m-20 -55.39 -51.01 68.23 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.624 1.17 . . . . 10.0 111.349 -178.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -66.9 -30.49 70.65 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-O 118.427 -0.796 . . . . 10.0 112.44 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mt -75.26 -45.42 40.11 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-O 117.644 -1.169 . . . . 10.0 112.546 177.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.421 ' CE1' ' HA ' ' A' ' 11' ' ' ASP . 2.1 p-80 -68.61 -26.9 65.59 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 121.279 1.854 . . . . 10.0 110.761 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.5 m -62.65 -56.09 20.91 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 117.952 -1.023 . . . . 10.0 109.595 169.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.505 HD22 HD12 ' B' ' 61' ' ' LEU . 6.0 tp -47.36 -52.82 15.43 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.775 1.17 . . . . 10.0 110.771 171.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.479 HD12 HD22 ' B' ' 64' ' ' LEU . 0.8 OUTLIER -67.34 -9.24 39.24 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.486 1.514 . . . . 10.0 114.972 -176.012 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -143.29 13.94 1.81 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 -170.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -49.39 -6.02 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.881 1 C-N-CA 133.143 4.577 . . . . 10.0 118.888 -169.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.273 73.9 p 112.04 -16.98 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.08 1 C-N-CA 133.517 4.727 . . . . 10.0 113.557 -177.855 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -60.9 165.69 3.91 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-O 122.644 1.212 . . . . 10.0 113.177 171.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -143.95 -9.8 0.69 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.535 2.334 . . . . 10.0 114.256 169.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.3 m -47.12 -53.37 13.06 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 128.295 2.638 . . . . 10.0 116.593 -168.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.75 -10.27 11.51 Favored Glycine 0 N--CA 1.471 1.017 0 CA-C-N 118.596 0.634 . . . . 10.0 113.187 168.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.2 mt -57.49 -31.23 65.79 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.802 1.241 . . . . 10.0 111.837 169.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -42.09 -52.98 4.12 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 127.821 2.448 . . . . 10.0 115.676 173.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -59.39 -46.6 88.24 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.416 1.007 . . . . 10.0 112.483 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.471 HD11 HG21 ' B' ' 76' ' ' VAL . 5.4 mt -67.42 -36.4 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 124.054 0.942 . . . . 10.0 109.399 -175.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -80.2 -32.76 38.54 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 117.199 -1.381 . . . . 10.0 113.178 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 -67.85 -35.44 78.57 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 120.378 1.445 . . . . 10.0 111.02 169.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.36 -19.9 57.45 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.272 1.029 . . . . 10.0 113.759 171.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.9 mt -113.49 11.65 18.45 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.676 1.59 . . . . 10.0 112.596 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.22 8.0 53.25 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 125.171 1.367 . . . . 10.0 116.166 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.0 mt -52.38 -46.61 94.6 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 125.887 1.675 . . . . 10.0 113.08 -171.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -59.48 -38.76 81.29 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 122.671 2.247 . . . . 10.0 113.765 173.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -46.29 71.83 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 118.499 0.591 . . . . 10.0 110.792 176.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.467 HD13 ' HE3' ' A' ' 47' ' ' LYS . 68.1 mt -54.34 -41.92 69.64 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.933 0.893 . . . . 10.0 111.914 174.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.455 HG21 ' CB ' ' B' ' 98' ' ' TYR . 79.7 t -61.85 -48.69 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.711 0.804 . . . . 10.0 111.143 172.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -59.51 -38.15 80.18 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.951 0.796 . . . . 10.0 112.599 176.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -67.05 -19.99 65.76 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.431 1.492 . . . . 10.0 113.342 171.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.15 0.39 88.75 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.315 0.96 . . . . 10.0 114.202 -171.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -75.15 70.57 2.12 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.765 2.026 . . . . 10.0 109.834 177.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -130.52 6.46 4.8 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.699 1.6 . . . . 10.0 114.174 -177.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.7 mt -114.07 -15.61 12.24 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.934 1.294 . . . . 10.0 114.075 -169.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.31 -177.46 0.48 Allowed Pre-proline 0 CA--C 1.557 1.246 0 C-N-CA 127.221 2.208 . . . . 10.0 111.309 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -61.7 8.88 0.09 OUTLIER 'Trans proline' 0 CA--C 1.55 1.279 0 C-N-CA 124.249 3.3 . . . . 10.0 115.515 170.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.467 ' HE3' HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.971 0 C-N-CA 130.425 3.49 . . . . 10.0 110.709 178.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' B' ' 51' ' ' SER . 34.9 Cg_exo . . . . . 0 N--CA 1.476 0.499 0 CA-C-O 120.787 0.245 . . . . 10.0 111.987 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -118.78 -64.3 1.3 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.514 1.126 . . . . 10.0 113.023 -171.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.34 -43.67 40.05 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 107.897 -1.149 . . . . 10.0 107.897 169.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' B' ' 48' ' ' PRO . 20.3 m -92.14 103.0 15.54 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.519 1.127 . . . . 10.0 109.435 169.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.453 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.1 OUTLIER -89.93 -10.29 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.165 0.586 . . . . 10.0 112.028 -177.327 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 13.0 p -96.6 -3.12 0.1 Allowed Pre-proline 0 N--CA 1.474 0.76 0 N-CA-C 118.851 2.908 . . . . 10.0 118.851 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -64.79 -18.78 63.49 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 CA-C-N 125.73 3.082 . . . . 10.0 113.831 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.8 p -81.42 -53.8 6.0 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 125.038 1.335 . . . . 10.0 110.871 168.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.83 -32.7 53.79 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.889 1.275 . . . . 10.0 113.689 174.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 28.2 tp -58.1 -28.73 64.89 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 127.684 2.394 . . . . 10.0 112.388 172.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -90.25 -59.66 2.13 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.696 0.798 . . . . 10.0 109.44 169.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.81 -48.78 15.72 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 115.965 1.839 . . . . 10.0 115.965 -168.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.71 -39.67 64.15 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 120.937 -1.102 . . . . 10.0 109.304 -176.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.505 HD12 HD22 ' A' ' 16' ' ' LEU . 15.1 tp -54.98 -50.11 69.78 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 117.841 -1.076 . . . . 10.0 109.601 172.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -53.8 -51.87 62.13 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 119.94 1.245 . . . . 10.0 112.083 169.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . 0.457 HG21 ' HA ' ' B' ' 76' ' ' VAL . 1.0 OUTLIER -57.87 -22.43 48.06 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 127.854 2.462 . . . . 10.0 115.858 -174.747 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.479 HD22 HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -113.26 -19.0 11.95 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.958 1.096 . . . . 10.0 113.958 169.518 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -57.04 -41.98 79.66 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 107.315 -1.365 . . . . 10.0 107.315 168.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 37.9 p -71.12 107.06 2.23 Favored Pre-proline 0 CA--C 1.544 0.713 0 N-CA-C 102.462 -3.162 . . . . 10.0 102.462 165.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.94 150.89 60.97 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 N-CA-C 117.331 2.012 . . . . 10.0 117.331 -167.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 52.7 p -49.93 -35.17 22.97 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 125.723 1.609 . . . . 10.0 114.045 -170.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.8 t -45.94 -65.85 0.6 Allowed Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 125.586 1.555 . . . . 10.0 114.477 -175.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.82 -21.9 15.8 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 122.169 1.912 . . . . 10.0 112.943 169.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -90.27 9.4 28.84 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 116.495 2.035 . . . . 10.0 116.495 -169.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -17.02 9.62 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 127.535 2.334 . . . . 10.0 116.06 -176.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -68.54 168.22 13.35 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.879 1.437 . . . . 10.0 114.879 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -7.15 0.17 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 126.009 1.724 . . . . 10.0 115.627 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . 0.403 ' NE2' HG23 ' B' ' 63' ' ' THR . 2.1 pp0? -53.74 -34.65 59.59 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 120.377 1.444 . . . . 10.0 113.763 169.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.471 HG21 HD11 ' A' ' 28' ' ' ILE . 2.5 t -69.44 -52.6 31.05 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.518 0 N-CA-C 108.383 -0.969 . . . . 10.0 108.383 174.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.92 -37.36 73.93 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.509 1.124 . . . . 10.0 111.173 -174.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -58.84 -39.4 81.15 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 126.253 1.821 . . . . 10.0 113.352 174.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.6 mt -88.64 -39.41 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 123.371 0.668 . . . . 10.0 109.567 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.0 mt -42.89 -54.46 4.17 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 127.83 2.452 . . . . 10.0 111.255 170.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -61.41 -12.54 14.78 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.427 1.269 . . . . 10.0 114.427 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 52.2 p -79.94 -16.6 54.93 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.841 1.423 . . . . 10.0 114.841 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -125.9 103.65 27.21 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 108.543 -0.91 . . . . 10.0 108.543 172.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_exo -59.6 -39.37 75.28 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.313 2.676 . . . . 10.0 113.201 -174.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.8 -42.83 85.3 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.106 0.563 . . . . 10.0 110.548 178.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.87 -42.93 99.94 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.267 1.427 . . . . 10.0 110.542 174.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -52.37 65.9 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.344 0.658 . . . . 10.0 111.355 175.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.88 -42.22 99.69 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 121.876 -0.515 . . . . 10.0 111.711 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.23 -38.73 92.09 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.191 0.905 . . . . 10.0 113.148 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.439 ' CD1' ' HG ' ' A' ' 17' ' ' LEU . 45.8 t80 -56.78 -56.78 17.12 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.4 1.08 . . . . 10.0 109.738 170.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 98.2 mt -52.95 -57.65 4.16 Favored 'Isoleucine or valine' 0 C--N 1.35 0.607 0 O-C-N 124.058 0.849 . . . . 10.0 108.902 178.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -60.56 2.99 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.666 1.186 . . . . 10.0 113.005 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.83 -26.84 64.43 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-O 117.124 -1.417 . . . . 10.0 112.017 -176.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 35.9 mmm-85 -64.59 -51.21 63.93 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 120.819 1.645 . . . . 10.0 111.438 169.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.48 -40.8 79.37 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.222 0.919 . . . . 10.0 110.957 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.16 85.3 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.067 0.766 . . . . 10.0 113.067 172.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -44.48 66.54 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.227 1.411 . . . . 10.0 110.349 174.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' TYR . . . . . 0.455 ' CB ' HG21 ' A' ' 38' ' ' VAL . 19.7 m-85 -57.29 -60.48 3.56 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 117.385 -1.293 . . . . 10.0 111.938 174.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 29.6 m -66.72 -19.79 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 114.17 1.174 . . . . 10.0 114.17 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.04 -53.81 11.76 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 118.941 0.791 . . . . 10.0 111.227 169.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -18.07 53.19 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 115.088 1.514 . . . . 10.0 115.088 -178.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -148.89 77.27 9.37 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 128.543 2.737 . . . . 10.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.9 -6.92 0.75 Allowed 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 124.321 3.348 . . . . 10.0 116.655 170.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.8 -49.2 3.08 Favored Glycine 0 N--CA 1.47 0.936 0 CA-C-N 120.04 1.291 . . . . 10.0 110.076 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -73.16 -8.04 54.02 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.435 1.094 . . . . 10.0 111.487 168.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 . . . . . 0 C--O 1.257 1.481 0 C-N-CA 130.868 3.667 . . . . 10.0 107.958 178.357 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 114.297 1.221 . . . . 10.0 114.297 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.35 25.17 3.31 Favored Glycine 0 CA--C 1.537 1.458 0 CA-C-N 120.516 1.507 . . . . 10.0 113.352 -172.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 57.48 3.76 0.2 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 127.905 2.482 . . . . 10.0 116.512 -177.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.1 t -132.1 -3.75 3.53 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 125.538 1.535 . . . . 10.0 114.602 -177.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -89.5 -43.32 10.91 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.381 0.991 . . . . 10.0 110.966 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 pm0 -62.11 -25.03 67.49 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 114.806 1.41 . . . . 10.0 114.806 -169.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.31 -35.83 82.14 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 120.166 1.348 . . . . 10.0 112.396 176.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.92 -43.7 62.1 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.862 0.865 . . . . 10.0 110.963 175.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.49 -44.57 89.45 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.34 1.056 . . . . 10.0 110.091 174.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.26 -49.38 78.05 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 128.537 2.735 . . . . 10.0 110.987 173.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -57.81 -50.88 71.8 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 118.793 0.724 . . . . 10.0 112.886 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -64.88 -38.9 92.51 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 119.913 -0.715 . . . . 10.0 111.386 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.2 mt -70.63 -41.35 72.32 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-O 116.492 -1.718 . . . . 10.0 112.356 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -70.62 -34.17 71.82 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 122.2 2.273 . . . . 10.0 110.871 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.6 m -60.25 -55.78 29.53 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 125.039 1.336 . . . . 10.0 110.794 170.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' B' ' 61' ' ' LEU . 3.3 tp -51.71 -57.52 9.0 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 118.554 0.616 . . . . 10.0 110.685 173.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.484 ' HA ' HD22 ' B' ' 64' ' ' LEU . 7.6 tp -69.35 -9.06 51.67 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 113.299 0.851 . . . . 10.0 113.299 -169.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -134.24 5.97 3.56 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.077 1.51 . . . . 10.0 115.077 -172.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -40.1 -3.61 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.933 1 C-N-CA 135.382 5.473 . . . . 10.0 120.668 -170.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.25 81.3 p 109.95 -17.58 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.166 1 C-N-CA 133.33 4.652 . . . . 10.0 114.287 -177.793 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -62.32 163.2 8.77 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 123.47 1.605 . . . . 10.0 112.954 171.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.43 -5.24 0.66 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.41 1.884 . . . . 10.0 113.921 169.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.4 m -43.32 -58.98 2.29 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.931 2.092 . . . . 10.0 116.551 -168.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.95 -12.69 12.0 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-N 118.702 0.683 . . . . 10.0 112.105 168.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.9 mt -55.22 -29.44 57.98 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-O 117.847 -1.073 . . . . 10.0 110.89 168.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.98 -38.1 16.11 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.741 1.617 . . . . 10.0 114.582 174.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -65.44 -53.28 45.09 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.811 1.244 . . . . 10.0 111.968 169.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.4 mm -60.19 -34.83 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 124.797 1.239 . . . . 10.0 110.354 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.5 ' HA ' HD12 ' A' ' 34' ' ' ILE . 78.4 m-20 -64.04 -57.62 9.13 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.603 1.961 . . . . 10.0 110.198 175.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.4 ptt-85 -62.19 -31.52 72.06 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 113.429 0.9 . . . . 10.0 113.429 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.5 -20.04 58.85 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.163 0.985 . . . . 10.0 113.363 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.0 mt -114.14 14.12 18.17 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.4 1.48 . . . . 10.0 112.246 172.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.3 8.07 53.89 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 116.011 1.165 . . . . 10.0 116.011 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 29' ' ' ASP 0.297 51.3 mt -47.14 -50.68 45.68 Favored Pre-proline 0 N--CA 1.475 0.813 0 CA-C-O 116.985 -1.483 . . . . 10.0 113.407 -173.326 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -61.4 -29.56 85.69 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 123.382 2.722 . . . . 10.0 115.179 175.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -72.71 -49.8 28.92 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.927 0.785 . . . . 10.0 110.308 172.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.1 mt -49.47 -48.35 47.79 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.765 1.226 . . . . 10.0 110.471 172.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.478 HG21 ' CB ' ' B' ' 98' ' ' TYR . 24.8 t -54.83 -51.8 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 126.595 1.958 . . . . 10.0 112.886 170.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -59.65 -42.5 92.93 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.738 0.815 . . . . 10.0 113.112 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -75.18 -19.99 59.55 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 114.089 1.144 . . . . 10.0 114.089 173.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.64 3.49 49.73 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 126.508 2.004 . . . . 10.0 114.804 176.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.56 94.67 1.01 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.883 2.073 . . . . 10.0 109.831 177.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -163.0 -24.04 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 116.147 1.906 . . . . 10.0 116.147 -169.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.5 mt -114.41 -11.9 12.44 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.719 1.145 . . . . 10.0 113.33 -169.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.97 176.72 1.04 Allowed Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 127.239 2.216 . . . . 10.0 111.75 173.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -57.7 -5.18 1.66 Allowed 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 124.531 3.488 . . . . 10.0 117.902 176.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 C-N-CA 125.965 1.706 . . . . 10.0 111.197 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo . . . . . 0 N--CA 1.46 -0.462 0 N-CA-C 111.488 -0.236 . . . . 10.0 111.488 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -133.82 -74.21 0.48 Allowed 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 124.106 0.962 . . . . 10.0 109.251 175.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -66.12 -42.32 89.33 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.695 1.134 . . . . 10.0 110.422 168.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 78.9 p -81.09 102.48 10.27 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 108.576 -0.898 . . . . 10.0 108.576 169.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.774 HD13 ' H ' ' B' ' 52' ' ' ILE . 0.2 OUTLIER -89.79 -5.22 10.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 124.872 1.269 . . . . 10.0 112.314 -172.604 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 50.7 p -124.61 5.99 0.06 OUTLIER Pre-proline 0 CA--C 1.546 0.807 0 N-CA-C 118.569 2.803 . . . . 10.0 118.569 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -67.04 -19.57 51.45 Favored 'Trans proline' 0 C--N 1.356 0.947 0 CA-C-N 124.838 2.764 . . . . 10.0 112.677 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 11.9 p -74.78 -58.4 3.31 Favored 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 125.186 1.394 . . . . 10.0 109.854 168.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.423 ' HA ' ' H ' ' B' ' 60' ' ' LEU . . . -54.12 -29.07 43.54 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.859 1.263 . . . . 10.0 113.847 175.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 20.4 tp -59.71 -31.57 69.71 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 127.021 2.129 . . . . 10.0 112.326 171.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -90.91 -39.49 12.25 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.581 1.152 . . . . 10.0 111.355 171.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.24 -59.35 1.85 Allowed 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 116.751 2.13 . . . . 10.0 116.751 -170.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.423 ' H ' ' HA ' ' B' ' 56' ' ' ALA . 3.5 tp -71.03 -32.06 68.71 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 121.693 0.758 . . . . 10.0 110.063 -174.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.42 ' HA ' HD22 ' A' ' 16' ' ' LEU . 36.7 tp -63.9 -54.48 34.16 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 126.022 1.729 . . . . 10.0 111.251 173.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 29.9 ptt-85 -63.77 -35.88 82.04 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 120.124 1.329 . . . . 10.0 111.007 175.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 19.4 m -54.71 -48.41 72.52 Favored 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 126.097 1.759 . . . . 10.0 112.605 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.484 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -93.46 -11.66 31.56 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 114.873 1.434 . . . . 10.0 114.873 174.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -38.53 82.75 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.063 -1.023 . . . . 10.0 109.182 168.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 3.8 p -75.76 114.43 36.57 Favored Pre-proline 0 CA--C 1.546 0.798 0 N-CA-C 102.709 -3.071 . . . . 10.0 102.709 166.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.66 159.77 27.09 Favored 'Trans proline' 0 C--N 1.354 0.825 0 N-CA-C 117.074 1.913 . . . . 10.0 117.074 -168.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 21.2 p -59.57 -23.6 63.04 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 113.86 -1.518 . . . . 10.0 114.414 -169.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.7 t -51.86 -66.51 0.71 Allowed Pre-proline 0 CA--C 1.549 0.927 0 CA-C-O 117.63 -1.176 . . . . 10.0 113.247 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.83 -27.81 25.67 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.197 1.931 . . . . 10.0 112.596 169.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -82.0 16.78 1.77 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.845 1.658 . . . . 10.0 114.847 -176.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -61.4 -21.79 64.4 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 128.547 2.739 . . . . 10.0 113.084 172.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -62.83 172.65 1.61 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 123.686 1.708 . . . . 10.0 112.857 177.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -8.96 19.83 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.16 1.384 . . . . 10.0 113.647 -172.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -66.1 -22.75 66.42 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.244 1.384 . . . . 10.0 113.791 -171.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.57 -53.33 22.91 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.249 0 CA-C-N 119.89 1.223 . . . . 10.0 108.218 169.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -58.73 -41.33 86.19 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.115 1.766 . . . . 10.0 110.503 -175.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -68.5 -26.89 65.69 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.55 1.54 . . . . 10.0 112.513 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 28.4 mt -84.66 -47.0 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 119.962 1.256 . . . . 10.0 108.404 169.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 mt -39.31 -56.24 1.58 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 127.82 2.448 . . . . 10.0 113.717 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . 0.263 0.0 OUTLIER -65.39 -6.44 10.24 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 115.431 1.641 . . . . 10.0 115.431 -177.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 58.1 p -87.0 -6.23 58.82 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.969 1.259 . . . . 10.0 114.078 170.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.02 64.87 67.26 Favored Pre-proline 0 N--CA 1.47 0.535 0 N-CA-C 108.225 -1.028 . . . . 10.0 108.225 -172.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -47.01 -47.67 16.15 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 124.749 3.633 . . . . 10.0 116.35 -168.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -67.14 -37.73 84.32 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 119.555 1.07 . . . . 10.0 113.158 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.91 -37.48 84.44 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.72 -0.612 . . . . 10.0 110.163 171.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 5.0 ttt -60.71 -48.14 83.1 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.03 0.932 . . . . 10.0 110.791 175.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.25 97.63 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.141 0.577 . . . . 10.0 112.331 171.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.68 86.46 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.12 0.873 . . . . 10.0 113.197 175.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -59.5 -59.93 4.67 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.084 1.354 . . . . 10.0 108.816 169.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 91.0 mt -47.85 -46.9 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-N 119.632 1.106 . . . . 10.0 111.507 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -61.8 -60.04 4.25 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 113.838 1.051 . . . . 10.0 113.838 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.68 -30.95 66.26 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 120.149 1.341 . . . . 10.0 111.606 -174.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -60.73 -56.88 15.98 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.557 1.526 . . . . 10.0 110.797 170.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 23.5 p -53.68 -45.69 70.41 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 118.461 -0.78 . . . . 10.0 111.789 174.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.3 85.96 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.964 0.906 . . . . 10.0 113.334 175.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.36 -53.9 25.62 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.598 1.559 . . . . 10.0 109.376 172.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' TYR . . . . . 0.478 ' CB ' HG21 ' A' ' 38' ' ' VAL . 27.0 m-85 -61.0 -57.77 11.25 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 116.188 -1.863 . . . . 10.0 111.511 178.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 26.9 m -61.79 -20.38 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 122.499 2.409 . . . . 10.0 113.969 -172.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.46 -48.17 14.39 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 118.985 0.811 . . . . 10.0 111.734 169.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -32.6 70.33 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.649 1.58 . . . . 10.0 113.556 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -152.33 83.61 4.97 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 131.044 3.738 . . . . 10.0 108.934 -169.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -61.15 58.41 0.1 Allowed 'Trans proline' 0 CA--C 1.545 1.067 1 C-N-CA 125.334 4.023 . . . . 10.0 116.641 177.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 69.5 -21.48 0.43 Allowed Glycine 0 CA--C 1.538 1.508 0 C-N-CA 127.237 2.351 . . . . 10.0 116.358 174.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -36.21 83.5 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.027 1.414 . . . . 10.0 114.767 -172.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.191 1.796 . . . . 10.0 110.235 -176.494 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.5 tp10 . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 113.172 0.805 . . . . 10.0 113.172 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.08 21.48 2.19 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.939 1.256 . . . . 10.0 115.808 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 58.65 -45.21 0.06 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 130.732 3.613 . . . . 10.0 114.739 -173.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.7 m -56.65 -42.04 78.25 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 130.968 3.707 . . . . 10.0 112.23 175.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 39.5 p-10 -72.81 -45.09 60.31 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.1 2.16 . . . . 10.0 111.185 172.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -48.39 -40.15 24.77 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 129.088 2.955 . . . . 10.0 112.362 -169.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -38.55 82.43 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 112.846 0.684 . . . . 10.0 112.846 177.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.92 -32.96 65.67 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.955 0.902 . . . . 10.0 112.129 170.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.97 -45.97 83.46 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.46 1.027 . . . . 10.0 110.491 172.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.2 tp -55.1 -51.44 66.39 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.881 1.673 . . . . 10.0 110.316 173.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.424 ' HA ' ' CD2' ' A' ' 14' ' ' HIS 0.255 72.5 m-20 -53.58 -57.24 11.44 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 170.614 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.432 HE21 ' C ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -66.37 -26.41 67.26 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 119.498 1.045 . . . . 10.0 112.78 -177.422 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -72.34 -52.58 15.53 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 117.367 -1.301 . . . . 10.0 110.67 172.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 11' ' ' ASP . 7.3 p80 -66.26 -27.42 67.93 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 120.737 1.608 . . . . 10.0 112.141 -178.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.4 m -64.63 -53.77 42.39 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.135 1.374 . . . . 10.0 110.887 169.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 tp -49.34 -53.26 23.12 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 120.042 1.292 . . . . 10.0 110.004 171.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.634 HD12 HD22 ' B' ' 64' ' ' LEU . 2.3 tp -65.59 -14.71 61.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.477 1.511 . . . . 10.0 114.142 -174.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -135.98 21.67 3.27 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.12 0.968 . . . . 10.0 112.506 -171.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -61.4 -12.75 15.64 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 129.628 3.171 . . . . 10.0 115.936 -169.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.261 41.3 p 121.09 -19.45 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.871 1 C-N-CA 133.755 4.822 . . . . 10.0 112.71 -178.816 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -55.26 153.67 6.77 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 120.526 1.512 . . . . 10.0 112.949 174.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -147.82 -11.48 0.39 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.318 2.647 . . . . 10.0 114.826 -178.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.3 t -52.66 -41.33 63.71 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-N 121.747 2.067 . . . . 10.0 115.532 -168.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.9 -17.99 3.65 Favored Glycine 0 C--N 1.322 -0.234 0 O-C-N 124.643 1.214 . . . . 10.0 113.116 170.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.497 HD11 HD21 ' B' ' 64' ' ' LEU . 4.6 mt -57.25 -22.27 40.02 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 117.551 -1.214 . . . . 10.0 111.086 170.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -48.9 -41.05 32.24 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.919 1.236 . . . . 10.0 113.433 169.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -63.4 -51.41 65.94 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.178 0.991 . . . . 10.0 110.558 177.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.5 mm -67.66 -31.08 50.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 123.936 0.894 . . . . 10.0 110.102 -175.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -69.7 -53.97 16.0 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.173 1.389 . . . . 10.0 109.872 173.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.7 ptt85 -68.18 -32.69 73.11 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 118.257 -0.878 . . . . 10.0 112.943 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.2 -19.96 49.82 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.268 1.427 . . . . 10.0 112.398 170.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.4 mt -115.32 12.32 16.37 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.106 1.762 . . . . 10.0 111.611 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.05 14.18 51.88 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.084 1.326 . . . . 10.0 115.691 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.1 mt -52.93 -43.3 93.8 Favored Pre-proline 0 CA--C 1.549 0.919 0 CA-C-N 119.375 1.588 . . . . 10.0 114.796 -169.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -58.91 -26.23 80.23 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.237 1.958 . . . . 10.0 115.261 172.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -83.98 -35.95 23.55 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 118.277 -0.868 . . . . 10.0 110.825 169.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 73.0 mt -57.12 -27.77 62.11 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.786 1.175 . . . . 10.0 112.947 170.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.46 -50.93 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.335 1.054 . . . . 10.0 110.296 169.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -62.4 -41.92 99.04 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.215 1.406 . . . . 10.0 112.336 176.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -68.03 -20.0 64.95 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.805 1.242 . . . . 10.0 113.596 172.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.51 11.12 45.54 Favored Glycine 0 CA--C 1.532 1.142 0 N-CA-C 116.448 1.339 . . . . 10.0 116.448 169.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -58.63 -21.46 53.76 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 120.009 1.905 . . . . 10.0 114.762 -172.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.46 -23.7 67.51 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.906 -1.121 . . . . 10.0 113.233 172.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 68.0 mt -94.96 -15.63 23.41 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.075 1.139 . . . . 10.0 114.075 -172.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -70.05 163.62 59.62 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 124.153 0.981 . . . . 10.0 112.917 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -74.77 -3.82 14.47 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 C-N-CA 123.234 2.623 . . . . 10.0 114.618 170.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.811 0 C-N-CA 128.462 2.705 . . . . 10.0 112.007 -171.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo . . . . . 0 N--CA 1.486 1.04 0 N-CA-C 106.271 -2.242 . . . . 10.0 106.271 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 3.1 p30 179.63 -88.47 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.539 2.336 . . . . 10.0 109.117 -169.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -34.0 77.16 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 119.02 0.827 . . . . 10.0 110.042 169.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.9 p -84.85 103.85 14.28 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 104.914 -2.254 . . . . 10.0 104.914 167.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -8.38 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 125.265 1.426 . . . . 10.0 112.869 -174.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 81.4 p -109.9 -6.12 0.11 Allowed Pre-proline 0 C--O 1.218 -0.581 0 N-CA-C 118.929 2.937 . . . . 10.0 118.929 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -66.28 -19.6 56.0 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 CA-C-N 125.135 2.87 . . . . 10.0 114.077 -172.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 47.0 p -86.57 -49.14 7.76 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.435 1.094 . . . . 10.0 110.362 169.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.23 -29.27 57.69 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.474 1.509 . . . . 10.0 112.79 174.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 53.6 tp -57.32 -29.83 64.26 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 128.974 2.91 . . . . 10.0 112.543 170.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -92.26 -60.41 1.85 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.841 1.256 . . . . 10.0 109.452 168.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.2 -51.73 19.8 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 116.77 2.137 . . . . 10.0 116.77 -168.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.1 tp -77.62 -35.18 53.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 118.844 0.747 . . . . 10.0 110.149 -176.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.47 -52.92 63.54 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 116.828 -1.558 . . . . 10.0 111.197 170.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -64.04 -33.89 76.77 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 121.753 2.07 . . . . 10.0 112.516 176.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 20.8 m -65.16 -21.01 66.72 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.287 1.835 . . . . 10.0 114.555 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.634 HD22 HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -118.06 -13.48 9.98 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 114.271 1.212 . . . . 10.0 114.271 169.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -29.15 69.62 Favored 'General case' 0 C--N 1.345 0.407 0 N-CA-C 108.465 -0.939 . . . . 10.0 108.465 167.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 5.4 p -89.85 111.57 47.07 Favored Pre-proline 0 CA--C 1.552 1.032 0 N-CA-C 101.886 -3.376 . . . . 10.0 101.886 165.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -60.46 162.37 17.89 Favored 'Trans proline' 0 C--N 1.351 0.678 0 N-CA-C 116.285 1.609 . . . . 10.0 116.285 -168.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 49.2 p -63.76 -16.05 60.19 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 117.847 -1.073 . . . . 10.0 113.719 -173.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -56.39 -59.82 10.94 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 120.088 1.313 . . . . 10.0 112.379 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -72.81 -35.13 6.0 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 CA-C-N 120.948 1.374 . . . . 10.0 111.256 168.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -81.93 36.43 0.45 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.578 1.551 . . . . 10.0 113.214 -176.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -78.54 -33.44 47.85 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 125.44 1.496 . . . . 10.0 114.568 -169.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.467 ' NE2' ' H ' ' B' ' 73' ' ' GLN . 2.2 pm0 -68.01 167.12 14.48 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 122.445 1.117 . . . . 10.0 111.381 177.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -65.21 18.52 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 115.604 1.705 . . . . 10.0 115.604 -173.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.8 -24.95 68.0 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.945 1.248 . . . . 10.0 112.748 170.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.79 -52.63 38.01 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 N-CA-C 107.049 -1.463 . . . . 10.0 107.049 169.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.55 -39.57 84.42 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.501 1.52 . . . . 10.0 111.776 -173.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -59.87 -35.27 74.46 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.754 1.222 . . . . 10.0 113.049 174.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 26.5 mt -87.47 -44.02 15.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-N 119.07 0.85 . . . . 10.0 109.971 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.2 mt -39.98 -54.7 2.17 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 128.448 2.699 . . . . 10.0 111.855 172.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -57.62 -18.23 18.91 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.128 1.158 . . . . 10.0 114.128 -174.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 82.4 p -79.82 -14.27 58.81 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 114.764 1.394 . . . . 10.0 114.764 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -124.15 96.37 42.23 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -55.26 -49.27 16.89 Favored 'Trans proline' 0 C--O 1.24 0.581 0 C-N-CA 124.136 3.224 . . . . 10.0 112.793 -173.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -60.29 -48.9 79.77 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.25 1.82 . . . . 10.0 111.369 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.32 -37.79 88.65 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 124.254 1.021 . . . . 10.0 110.611 176.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -52.23 66.27 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.773 1.17 . . . . 10.0 111.464 173.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.12 -44.66 97.0 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.506 0.594 . . . . 10.0 111.839 174.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.05 -39.08 88.49 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.411 1.084 . . . . 10.0 111.874 177.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -59.23 -60.3 4.08 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 124.995 1.318 . . . . 10.0 108.731 169.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 86.6 mt -49.02 -47.99 16.77 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 CA-C-N 119.877 1.217 . . . . 10.0 110.746 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -63.37 -60.61 3.16 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.372 1.069 . . . . 10.0 112.363 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.72 -25.18 61.96 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 117.288 -1.339 . . . . 10.0 111.52 -174.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -63.54 -48.74 76.26 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.397 1.453 . . . . 10.0 110.089 169.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.4 m -58.11 -41.96 84.68 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 122.05 -0.406 . . . . 10.0 111.186 175.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.73 -46.01 90.44 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.656 0.782 . . . . 10.0 112.36 170.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -41.71 64.95 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.8 1.64 . . . . 10.0 111.043 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -63.92 -60.32 3.41 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 118.378 -0.82 . . . . 10.0 111.168 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 33.8 m -62.33 -22.72 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 120.313 1.415 . . . . 10.0 114.185 -177.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.02 -32.93 17.35 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.344 1.609 . . . . 10.0 115.344 176.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.98 -18.7 3.33 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 114.76 1.393 . . . . 10.0 114.76 -169.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -141.71 67.28 23.61 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 124.557 1.143 . . . . 10.0 111.026 170.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.5 87.88 1.47 Allowed 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 122.631 2.221 . . . . 10.0 109.955 -176.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.97 57.12 1.03 Allowed Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.274 1.416 . . . . 10.0 113.683 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 25.6 ptp -150.8 173.69 13.93 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.517 1.927 . . . . 10.0 111.191 -175.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 . . . . . 0 C--O 1.256 1.438 0 C-N-CA 126.368 1.867 . . . . 10.0 109.758 173.733 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 113.221 0.823 . . . . 10.0 113.221 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.38 -23.19 68.65 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-O 118.735 -1.036 . . . . 10.0 112.279 169.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 76.59 58.82 0.04 OUTLIER 'General case' 0 C--O 1.233 0.227 0 C-N-CA 128.506 2.723 . . . . 10.0 109.76 -176.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.9 m -179.94 -42.04 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 128.022 2.529 . . . . 10.0 109.02 -177.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -54.72 -41.06 69.89 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.364 1.466 . . . . 10.0 111.159 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.426 ' HA ' HD12 ' A' ' 9' ' ' LEU . 17.4 pm0 -54.53 -24.85 22.49 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-O 116.242 -1.837 . . . . 10.0 114.863 178.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -62.88 -40.59 97.99 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 121.508 1.958 . . . . 10.0 111.719 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.91 -41.36 78.3 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.593 0.633 . . . . 10.0 111.975 175.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 6' ' ' GLU . 10.6 mt -62.01 -44.41 96.78 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 124.306 1.042 . . . . 10.0 110.797 177.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.06 -50.74 72.94 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 129.069 2.948 . . . . 10.0 110.378 173.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -57.2 -53.56 56.72 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 113.276 0.843 . . . . 10.0 113.276 174.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -65.82 -27.42 68.24 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 119.261 0.937 . . . . 10.0 112.866 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -79.42 -42.4 25.5 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.268 0.94 . . . . 10.0 111.683 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -69.92 -29.77 67.01 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.617 1.553 . . . . 10.0 111.779 174.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.0 m -69.13 -41.98 76.64 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 117.926 -1.035 . . . . 10.0 111.15 169.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.68 -55.03 21.85 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 120.117 1.326 . . . . 10.0 110.45 170.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.51 ' HA ' HD22 ' B' ' 64' ' ' LEU . 2.4 mm? -63.39 -19.36 64.6 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 114.46 1.281 . . . . 10.0 114.46 177.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.8 t -108.17 5.25 25.67 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.072 1.749 . . . . 10.0 115.643 -174.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -48.81 -5.81 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 131.004 3.721 . . . . 10.0 118.866 -169.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.6 p 116.84 -18.82 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.074 1 C-N-CA 135.243 5.417 . . . . 10.0 112.695 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -63.72 156.13 27.99 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-O 123.505 1.621 . . . . 10.0 113.217 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.18 -9.28 0.68 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 128.17 2.588 . . . . 10.0 112.793 169.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.1 p -48.76 -59.96 3.13 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.227 2.211 . . . . 10.0 113.851 -169.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.88 -11.02 29.27 Favored Glycine 0 N--CA 1.474 1.197 0 C-N-CA 124.25 0.929 . . . . 10.0 114.331 171.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.667 HD11 HD21 ' B' ' 64' ' ' LEU . 8.0 mt -65.79 -25.77 67.39 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 117.759 -1.115 . . . . 10.0 111.889 169.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -50.03 -41.52 47.6 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 120.079 1.309 . . . . 10.0 112.447 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -59.51 -50.53 73.56 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.482 1.113 . . . . 10.0 111.238 175.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.1 mm -66.9 -35.2 74.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 124.449 1.1 . . . . 10.0 110.062 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -68.84 -49.68 56.37 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.339 1.456 . . . . 10.0 110.013 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 ptt85 -70.38 -35.87 73.76 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 117.982 -1.008 . . . . 10.0 112.06 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.64 -20.49 60.95 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.708 1.003 . . . . 10.0 113.708 172.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.2 mt -115.11 16.96 16.96 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.51 1.524 . . . . 10.0 113.372 175.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.09 15.65 63.23 Favored Glycine 0 C--N 1.345 1.051 0 C-N-CA 123.96 0.79 . . . . 10.0 114.636 171.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.5 mt -59.25 -41.76 89.34 Favored Pre-proline 0 CA--C 1.554 1.101 0 O-C-N 121.375 -1.073 . . . . 10.0 112.915 -171.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -62.88 -27.64 75.0 Favored 'Trans proline' 0 CA--C 1.545 1.062 0 C-N-CA 122.534 2.156 . . . . 10.0 114.757 169.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -74.55 -35.64 63.09 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 120.516 -1.365 . . . . 10.0 110.719 171.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.51 -33.18 75.02 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.998 -1.064 . . . . 10.0 111.629 169.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.5 t -64.35 -52.55 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 169.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -51.68 -40.42 60.03 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.355 1.062 . . . . 10.0 113.301 176.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -72.08 -20.18 61.69 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.331 1.452 . . . . 10.0 114.2 173.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.0 8.2 87.71 Favored Glycine 0 C--N 1.343 0.959 0 C-N-CA 124.956 1.265 . . . . 10.0 114.605 -173.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -79.24 53.11 1.42 Allowed 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 119.166 1.483 . . . . 10.0 112.213 -175.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.418 ' HB2' HG22 ' B' ' 95' ' ' THR . . . -114.0 -11.3 12.78 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 117.019 2.229 . . . . 10.0 117.019 -169.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.9 mt -137.35 -9.09 1.71 Allowed 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 116.047 1.869 . . . . 10.0 116.047 -169.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.6 165.18 55.31 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 125.564 1.546 . . . . 10.0 111.341 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -66.95 7.9 0.39 Allowed 'Trans proline' 0 CA--C 1.554 1.513 0 C-N-CA 123.508 2.805 . . . . 10.0 115.724 171.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.538 0 C-N-CA 125.652 1.581 . . . . 10.0 110.746 169.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.435 ' HA ' ' O ' ' B' ' 51' ' ' SER . 27.7 Cg_exo . . . . . 0 N--CA 1.475 0.41 0 N-CA-C 110.949 -0.443 . . . . 10.0 110.949 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.59 -38.23 1.17 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 114.155 1.168 . . . . 10.0 114.155 -169.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -98.83 -52.04 3.7 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 107.304 -1.369 . . . . 10.0 107.304 169.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.435 ' O ' ' HA ' ' B' ' 48' ' ' PRO . 36.8 m -89.3 114.93 26.38 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 104.04 -2.578 . . . . 10.0 104.04 167.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.447 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.3 OUTLIER -89.6 -20.3 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 CA-C-N 118.607 0.64 . . . . 10.0 110.681 -169.749 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 52.1 p -98.15 1.35 0.08 OUTLIER Pre-proline 0 C--O 1.222 -0.385 0 N-CA-C 119.552 3.168 . . . . 10.0 119.552 -174.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -64.13 -19.25 65.88 Favored 'Trans proline' 0 CA--C 1.549 1.274 0 CA-C-N 126.894 3.498 . . . . 10.0 113.456 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.7 p -81.07 -55.49 4.73 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.843 1.257 . . . . 10.0 110.837 169.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.42 -28.18 66.7 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 118.633 0.651 . . . . 10.0 112.314 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 23.8 tp -57.73 -25.1 59.93 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 127.685 2.394 . . . . 10.0 112.187 170.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -96.36 -58.98 1.93 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.069 0.948 . . . . 10.0 109.77 168.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.81 -38.62 37.77 Favored 'General case' 0 C--N 1.343 0.284 0 N-CA-C 116.853 2.168 . . . . 10.0 116.853 -168.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.0 tp -78.38 -33.99 48.55 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 120.607 1.548 . . . . 10.0 109.925 174.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.67 -55.65 30.76 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-O 117.519 -1.229 . . . . 10.0 111.077 174.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 40.6 ptt85 -57.83 -33.53 68.71 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.5 1.5 . . . . 10.0 112.232 173.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 15.4 m -66.97 -22.82 65.91 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.367 1.467 . . . . 10.0 114.053 -177.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.667 HD21 HD11 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -115.51 -13.46 11.57 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.236 1.198 . . . . 10.0 114.236 169.693 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -65.47 -39.9 92.53 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 107.397 -1.334 . . . . 10.0 107.397 167.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 13.6 p -71.45 120.9 82.54 Favored Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 104.752 -2.314 . . . . 10.0 104.752 167.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -62.93 156.82 51.94 Favored 'Trans proline' 0 C--N 1.354 0.826 0 N-CA-C 116.584 1.725 . . . . 10.0 116.584 -168.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 4.4 m -59.9 3.2 0.06 Allowed 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 129.853 3.261 . . . . 10.0 115.926 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.9 t -77.04 -69.68 0.22 Allowed Pre-proline 0 N--CA 1.468 0.442 0 CA-C-O 117.073 -1.442 . . . . 10.0 110.197 171.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -67.61 -24.77 41.32 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 CA-C-N 122.614 1.969 . . . . 10.0 113.107 169.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -89.54 8.84 29.11 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.389 1.255 . . . . 10.0 114.389 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -58.61 5.25 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 118.003 2.594 . . . . 10.0 118.003 -173.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -139.03 -171.85 3.19 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 123.633 1.682 . . . . 10.0 115.285 -169.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -51.77 -7.87 0.06 Allowed 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 118.437 2.754 . . . . 10.0 118.437 -169.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -66.4 -25.23 66.67 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 121.552 1.978 . . . . 10.0 113.302 171.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.72 -50.41 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 107.618 -1.252 . . . . 10.0 107.618 169.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.98 -38.02 89.45 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.277 1.031 . . . . 10.0 111.612 -173.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -59.03 -43.76 91.67 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 117.725 -1.131 . . . . 10.0 112.729 172.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 33.7 mt -78.29 -43.08 27.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 120.111 1.323 . . . . 10.0 110.006 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.2 mt -40.58 -59.59 1.32 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.637 1.975 . . . . 10.0 112.399 171.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.01 -8.73 17.27 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.58 1.326 . . . . 10.0 114.58 -176.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 52.7 p -88.5 -4.23 58.65 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.951 1.251 . . . . 10.0 114.259 173.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -132.74 73.44 76.14 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 106.479 -1.675 . . . . 10.0 106.479 -178.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -53.84 -33.66 72.17 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 123.307 2.672 . . . . 10.0 114.821 -168.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -68.35 -43.83 76.57 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.619 -0.676 . . . . 10.0 112.183 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.66 -36.85 85.59 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.888 0.875 . . . . 10.0 110.675 169.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 1.7 ttt -61.57 -48.27 81.74 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.052 0.842 . . . . 10.0 111.894 177.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.72 -46.54 90.01 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.699 0.8 . . . . 10.0 111.496 172.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.44 97.25 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.069 -0.967 . . . . 10.0 112.158 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -56.03 -56.79 16.55 Favored 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 125.073 1.349 . . . . 10.0 110.023 169.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 81.6 mt -50.78 -54.88 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.259 0.624 . . . . 10.0 110.529 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -64.32 -56.56 13.67 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.82 0.674 . . . . 10.0 112.82 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -68.06 -33.26 74.22 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 117.43 -1.271 . . . . 10.0 112.307 -176.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . 0.404 ' NH1' HD13 ' A' ' 25' ' ' LEU . 26.8 mmm180 -61.02 -41.38 96.44 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 121.559 1.982 . . . . 10.0 109.443 170.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . 0.418 HG22 ' HB2' ' A' ' 43' ' ' ALA . 4.2 m -60.34 -46.67 89.1 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.139 0.576 . . . . 10.0 111.068 174.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.71 -49.22 73.62 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.697 1.199 . . . . 10.0 111.986 171.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -42.89 66.68 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.87 1.668 . . . . 10.0 111.753 174.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -61.77 -61.06 2.77 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 118.995 0.816 . . . . 10.0 111.071 173.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 21.9 m -59.61 -27.59 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 119.544 1.065 . . . . 10.0 113.072 -175.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.99 -21.49 22.37 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 117.02 2.23 . . . . 10.0 117.02 177.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.67 -23.12 1.42 Allowed 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 115.081 1.511 . . . . 10.0 115.081 -173.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -144.44 69.26 15.48 Favored Pre-proline 0 CA--C 1.552 1.037 0 C-N-CA 125.616 1.566 . . . . 10.0 110.902 172.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.28 171.3 16.31 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 C-N-CA 122.883 2.388 . . . . 10.0 111.775 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -139.64 -99.23 0.42 Allowed Glycine 0 N--CA 1.471 1.009 0 C-N-CA 124.585 1.088 . . . . 10.0 110.897 174.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -75.35 -18.11 60.06 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 112.94 0.719 . . . . 10.0 112.94 169.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 C--O 1.25 1.089 0 C-N-CA 130.477 3.511 . . . . 10.0 107.251 169.894 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.43 11.58 6.06 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 125.488 1.518 . . . . 10.0 113.15 -178.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 63.9 -39.14 0.21 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 129.492 3.117 . . . . 10.0 114.528 -173.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.3 t -65.5 -16.3 63.52 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.389 1.255 . . . . 10.0 114.389 171.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -94.82 -42.91 8.47 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 127.917 2.487 . . . . 10.0 109.831 172.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.423 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 28.4 tt0 -53.03 -53.67 46.68 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 127.018 2.127 . . . . 10.0 111.935 174.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -62.58 -42.25 99.44 Favored 'General case' 0 C--O 1.228 -0.056 0 CA-C-N 118.428 0.558 . . . . 10.0 110.179 -176.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.12 -43.35 92.26 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.401 -0.809 . . . . 10.0 112.846 176.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.427 HD22 ' C ' ' A' ' 9' ' ' LEU 0.32 0.0 OUTLIER -76.88 -30.77 56.36 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.623 1.102 . . . . 10.0 111.816 179.612 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.9 tp -60.78 -48.51 81.48 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.242 1.817 . . . . 10.0 110.384 169.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -57.75 -54.35 47.86 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 113.501 0.926 . . . . 10.0 113.501 169.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -20.97 66.54 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.445 1.021 . . . . 10.0 113.056 -179.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.46 -37.67 18.07 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-O 116.264 -1.827 . . . . 10.0 113.265 171.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . 0.274 8.4 p80 -69.97 -21.36 63.25 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 122.797 2.544 . . . . 10.0 111.45 171.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.2 m -69.02 -20.34 64.13 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.42 1.088 . . . . 10.0 112.007 168.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 tp -90.96 -60.42 1.91 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.256 1.023 . . . . 10.0 110.84 170.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.568 HD12 HD22 ' B' ' 64' ' ' LEU . 8.5 tp -69.24 -6.69 30.81 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 129.018 2.927 . . . . 10.0 112.208 -171.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 61.7 m -152.05 35.73 0.54 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.802 1.641 . . . . 10.0 109.946 170.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -46.32 -54.51 8.82 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.045 1.738 . . . . 10.0 110.844 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.9 p -157.19 -69.62 0.1 Allowed 'General case' 0 C--O 1.214 -0.772 0 C-N-CA 130.945 3.698 . . . . 10.0 106.483 171.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -148.88 -172.9 4.22 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.955 1.702 . . . . 10.0 110.604 171.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.61 155.63 22.11 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 129.136 2.974 . . . . 10.0 105.626 168.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.2 p -54.04 -54.1 43.84 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.229 1.411 . . . . 10.0 112.111 -175.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.37 -22.18 76.25 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 119.314 -0.715 . . . . 10.0 113.496 174.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp -56.34 -32.62 64.87 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 115.278 1.585 . . . . 10.0 115.278 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -54.57 -59.09 5.17 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.71 1.204 . . . . 10.0 112.019 170.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -61.21 -49.76 75.85 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 128.273 2.629 . . . . 10.0 110.838 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.2 mt -56.23 -41.26 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.662 1.185 . . . . 10.0 110.689 174.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.401 ' CG ' ' HE ' ' B' ' 94' ' ' ARG . 88.4 m-20 -66.5 -51.44 56.69 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 119.679 1.127 . . . . 10.0 110.395 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 -66.45 -28.48 68.63 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.896 -1.127 . . . . 10.0 112.435 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.86 -20.17 63.42 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.708 1.14 . . . . 10.0 112.578 169.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.5 mt -116.6 14.09 15.39 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 127.325 2.25 . . . . 10.0 113.295 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 57.79 24.47 53.66 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.765 1.174 . . . . 10.0 115.106 174.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.6 mm -52.85 -42.63 90.77 Favored Pre-proline 0 CA--C 1.556 1.188 0 CA-C-N 118.96 1.38 . . . . 10.0 112.742 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.17 -40.47 84.63 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.56 2.173 . . . . 10.0 115.323 175.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -68.36 -45.9 71.56 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.304 -0.872 . . . . 10.0 110.914 173.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.53 -30.86 70.01 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.305 1.442 . . . . 10.0 112.473 177.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 t -54.27 -49.69 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 126.114 1.766 . . . . 10.0 110.308 169.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.92 -22.55 49.47 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 118.663 -0.685 . . . . 10.0 112.481 179.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -69.31 -30.65 68.76 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.185 0.902 . . . . 10.0 112.759 170.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.31 14.17 19.08 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.505 1.05 . . . . 10.0 114.507 -178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -57.13 -19.2 18.58 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.945 1.698 . . . . 10.0 113.131 -173.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.04 -30.09 69.23 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 114.282 1.216 . . . . 10.0 114.282 171.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.5 mt -120.54 -14.76 8.61 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.82 1.248 . . . . 10.0 113.539 -169.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -58.25 156.85 19.28 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 123.688 0.795 . . . . 10.0 112.155 171.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -75.22 -0.51 10.13 Favored 'Trans proline' 0 CA--C 1.548 1.209 0 C-N-CA 123.454 2.769 . . . . 10.0 114.584 174.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.208 0 C-N-CA 130.283 3.433 . . . . 10.0 109.754 178.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' B' ' 51' ' ' SER . 18.0 Cg_endo . . . . . 0 N--CA 1.479 0.634 0 N-CA-C 107.862 -1.63 . . . . 10.0 107.862 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -132.1 -41.06 1.02 Allowed 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.6 -0.727 . . . . 10.0 112.714 -167.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -96.52 -64.18 1.07 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 104.986 -2.228 . . . . 10.0 104.986 168.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.476 ' O ' ' HA ' ' B' ' 48' ' ' PRO . 4.5 m -85.68 113.72 22.1 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 106.991 -1.485 . . . . 10.0 106.991 170.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.767 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.1 OUTLIER -89.72 -12.12 9.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 124.46 1.104 . . . . 10.0 111.351 -168.789 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 31.9 p -105.86 5.07 0.08 OUTLIER Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 118.555 2.798 . . . . 10.0 118.555 -172.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -65.65 -19.49 59.88 Favored 'Trans proline' 0 CA--C 1.547 1.162 0 CA-C-N 125.96 3.164 . . . . 10.0 112.997 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 15.4 p -79.43 -52.56 7.9 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.664 1.586 . . . . 10.0 111.229 169.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.17 -29.96 61.57 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.342 1.457 . . . . 10.0 113.525 173.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.0 tp -54.53 -29.11 49.7 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.585 1.554 . . . . 10.0 112.26 169.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -92.17 -60.24 1.9 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.53 1.132 . . . . 10.0 109.374 169.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.44 -47.2 28.31 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 115.696 1.739 . . . . 10.0 115.696 -169.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 tp -70.64 -36.21 73.3 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.804 1.184 . . . . 10.0 110.575 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 tp -54.25 -59.02 5.23 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.376 1.07 . . . . 10.0 109.714 169.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -50.08 -47.57 53.61 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 126.228 1.811 . . . . 10.0 112.094 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . 0.413 ' CG2' ' HA ' ' B' ' 76' ' ' VAL . 1.1 m -60.75 -19.92 60.15 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 127.076 2.15 . . . . 10.0 115.303 -176.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.568 HD22 HD12 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -117.01 -18.34 10.13 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 124.304 1.003 . . . . 10.0 113.468 169.81 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -29.76 67.71 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 117.691 -1.147 . . . . 10.0 112.635 170.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 12.7 p -87.75 148.07 42.85 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 124.767 1.227 . . . . 10.0 108.068 168.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -62.64 122.83 11.33 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.332 2.021 . . . . 10.0 115.6 -168.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 43.8 p -56.88 16.71 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 130.542 3.537 . . . . 10.0 116.075 173.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 14.7 t -86.31 -74.12 0.06 OUTLIER Pre-proline 0 CA--C 1.543 0.681 0 C-N-CA 126.42 1.888 . . . . 10.0 108.421 169.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.49 -27.64 22.73 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 CA-C-N 121.721 1.65 . . . . 10.0 111.149 169.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -80.09 57.8 2.79 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 125.895 1.678 . . . . 10.0 111.544 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -174.92 0.08 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 130.104 3.362 . . . . 10.0 114.298 -174.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -53.09 -59.64 4.29 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 125.913 1.685 . . . . 10.0 113.852 -174.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -53.63 -48.0 69.74 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 118.676 -0.678 . . . . 10.0 112.746 -169.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -67.13 -28.12 67.88 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 117.185 -1.388 . . . . 10.0 113.621 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.413 ' HA ' ' CG2' ' B' ' 63' ' ' THR . 2.5 t -72.83 -52.41 22.8 Favored 'Isoleucine or valine' 0 C--N 1.344 0.348 0 C-N-CA 118.446 -1.302 . . . . 10.0 107.933 170.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -37.4 80.43 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.737 0.815 . . . . 10.0 111.705 -172.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -59.17 -36.98 76.27 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.19 1.796 . . . . 10.0 113.712 171.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 17.2 mt -90.22 -35.15 7.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 119.855 1.207 . . . . 10.0 109.934 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 6.8 mt -46.89 -57.05 5.33 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.902 2.081 . . . . 10.0 110.334 168.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -8.09 17.98 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.344 1.238 . . . . 10.0 114.344 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 28.5 p -83.21 -10.84 58.36 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.784 1.401 . . . . 10.0 114.784 170.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -137.01 74.27 50.58 Favored Pre-proline 0 C--N 1.324 -0.518 0 C-N-CA 123.371 0.668 . . . . 10.0 111.562 174.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -44.37 -33.68 6.53 Favored 'Trans proline' 0 CA--C 1.542 0.902 1 C-N-CA 126.281 4.654 . . . . 10.0 116.071 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -69.63 -42.96 73.6 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 120.996 -1.065 . . . . 10.0 112.852 173.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tt -64.53 -39.85 94.53 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.711 0.805 . . . . 10.0 110.148 169.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -48.1 80.95 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.294 1.437 . . . . 10.0 112.912 175.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.64 -46.82 88.87 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.253 -0.88 . . . . 10.0 111.779 171.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.46 79.19 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.998 0.74 . . . . 10.0 112.998 175.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -58.74 -60.6 3.57 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 125.185 1.394 . . . . 10.0 110.302 170.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 82.5 mt -50.66 -46.84 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 118.769 0.713 . . . . 10.0 110.926 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -58.06 -60.61 3.47 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.056 1.742 . . . . 10.0 112.546 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -35.22 77.74 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.627 1.103 . . . . 10.0 110.98 -176.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . 0.401 ' HE ' ' CG ' ' A' ' 29' ' ' ASP . 25.1 mmm180 -55.94 -49.23 74.07 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.454 -1.404 . . . . 10.0 110.802 169.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.0 m -63.49 -45.11 92.21 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 119.111 -0.471 . . . . 10.0 111.622 176.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.52 87.13 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.024 0.93 . . . . 10.0 112.593 176.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -48.46 -57.64 5.82 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 124.942 1.297 . . . . 10.0 109.494 169.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -56.74 -59.94 4.29 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 118.348 -0.834 . . . . 10.0 112.581 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 17.3 m -60.53 -25.54 34.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 CA-C-N 120.27 1.395 . . . . 10.0 113.54 -175.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.51 -7.49 54.84 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 115.899 1.815 . . . . 10.0 115.899 175.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -142.8 -32.53 0.48 Allowed 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.247 1.203 . . . . 10.0 114.247 -170.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -141.96 70.02 23.84 Favored Pre-proline 0 CA--C 1.554 1.108 0 C-N-CA 127.03 2.132 . . . . 10.0 109.861 173.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.29 76.23 3.15 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.653 2.902 . . . . 10.0 111.7 -176.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.49 67.36 1.91 Allowed Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.863 1.221 . . . . 10.0 111.541 173.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 16.1 ptm -141.93 156.79 45.49 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.232 1.413 . . . . 10.0 113.141 -174.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.124 1.77 . . . . 10.0 110.884 175.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 113.139 0.792 . . . . 10.0 113.139 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -93.2 -21.99 28.52 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-N 119.991 1.269 . . . . 10.0 113.61 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 105.39 -31.89 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.353 1 C-N-CA 131.975 4.11 . . . . 10.0 110.932 177.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.9 m -59.61 -29.48 68.02 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.841 1.256 . . . . 10.0 111.023 170.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -73.11 -60.97 1.98 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.321 1.048 . . . . 10.0 109.252 169.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.499 ' HA ' HD12 ' A' ' 9' ' ' LEU . 7.8 tt0 -55.81 -38.71 70.35 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 117.565 -1.207 . . . . 10.0 112.541 -173.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -56.65 -36.51 69.6 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 120.596 1.543 . . . . 10.0 112.502 -170.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.36 -44.4 75.3 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.772 0.715 . . . . 10.0 112.737 171.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 6' ' ' GLU . 5.2 mt -61.01 -45.48 94.66 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 125.706 1.602 . . . . 10.0 110.198 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.31 -50.51 69.75 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 130.028 3.331 . . . . 10.0 110.351 176.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -57.68 -51.92 67.57 Favored 'General case' 0 C--N 1.344 0.34 0 N-CA-C 113.961 1.097 . . . . 10.0 113.961 173.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -64.54 -32.02 73.48 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-N 119.529 1.059 . . . . 10.0 112.53 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.6 tp -75.94 -43.58 44.18 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.183 0.901 . . . . 10.0 111.418 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -68.88 -30.93 69.54 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.907 1.231 . . . . 10.0 111.157 176.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.5 m -63.9 -50.55 68.3 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 117.485 -1.245 . . . . 10.0 110.234 169.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.489 HD22 HD12 ' B' ' 61' ' ' LEU . 4.1 tp -51.01 -52.8 39.26 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.675 1.125 . . . . 10.0 111.249 173.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.718 HD13 HD22 ' B' ' 64' ' ' LEU . 1.7 mm? -62.32 -22.33 65.97 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.832 1.049 . . . . 10.0 113.832 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.431 ' HA ' HH11 ' B' ' 94' ' ' ARG . 2.5 m -120.37 15.21 12.13 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.037 1.125 . . . . 10.0 114.037 -168.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -55.82 -0.24 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 130.756 3.622 . . . . 10.0 117.727 -169.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.8 p 111.31 -25.35 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.228 1 C-N-CA 134.442 5.097 . . . . 10.0 111.906 -175.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -61.31 157.47 16.42 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 123.523 1.63 . . . . 10.0 113.661 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -146.82 -1.01 0.7 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.121 2.168 . . . . 10.0 113.872 170.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 m -47.07 -48.84 22.43 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.741 2.016 . . . . 10.0 116.043 -168.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.66 -14.11 5.38 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 125.013 1.292 . . . . 10.0 112.655 169.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.557 HD11 HD21 ' B' ' 64' ' ' LEU . 4.0 mt -59.46 -24.63 63.71 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 121.653 -0.91 . . . . 10.0 110.878 169.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -41.99 -43.25 3.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.814 2.045 . . . . 10.0 114.715 170.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.16 -52.25 63.17 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.768 0.827 . . . . 10.0 112.603 172.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.1 mm -67.93 -28.34 40.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.184 1.394 . . . . 10.0 109.241 -174.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.531 ' HA ' HD12 ' A' ' 34' ' ' ILE . 75.4 m-20 -70.87 -53.91 13.45 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.885 1.674 . . . . 10.0 110.92 172.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 ptt-85 -63.26 -34.17 77.08 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 117.842 -1.075 . . . . 10.0 112.396 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.9 -20.54 37.81 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.288 1.035 . . . . 10.0 113.782 175.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 mt -117.46 12.25 14.12 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.494 1.518 . . . . 10.0 111.715 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.14 11.91 64.69 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 124.251 0.929 . . . . 10.0 115.262 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 29' ' ' ASP 0.279 33.2 mt -50.13 -49.68 74.13 Favored Pre-proline 0 CA--C 1.547 0.857 0 CA-C-N 118.952 1.376 . . . . 10.0 113.771 -173.749 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -59.85 -26.1 81.31 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 122.543 2.162 . . . . 10.0 114.702 174.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -79.29 -37.71 37.1 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.164 -0.96 . . . . 10.0 111.72 172.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.4 mt -59.47 -30.12 68.3 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.332 0.515 . . . . 10.0 111.71 170.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.4 -59.31 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.761 1.624 . . . . 10.0 110.52 169.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -53.12 -48.01 68.18 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.938 0.895 . . . . 10.0 112.811 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -66.45 -19.9 65.91 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.708 1.603 . . . . 10.0 113.297 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.24 0.89 87.42 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-O 118.734 -1.037 . . . . 10.0 115.306 -174.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -51.45 -27.6 10.79 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 118.759 1.279 . . . . 10.0 112.086 170.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.427 ' HB2' HG22 ' B' ' 95' ' ' THR . . . -40.86 -34.23 0.38 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.652 1.981 . . . . 10.0 114.611 169.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.8 mt -81.52 -10.85 59.38 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.868 1.433 . . . . 10.0 114.868 -178.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -78.69 172.91 8.64 Favored Pre-proline 0 CA--C 1.547 0.858 0 CA-C-N 119.576 1.08 . . . . 10.0 111.964 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -63.01 -6.52 9.69 Favored 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 123.127 2.551 . . . . 10.0 114.04 168.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.185 0 C-N-CA 129.652 3.181 . . . . 10.0 110.975 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' B' ' 51' ' ' SER . 41.0 Cg_exo . . . . . 0 CA--C 1.535 0.54 0 N-CA-C 110.945 -0.444 . . . . 10.0 110.945 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -112.26 -66.98 1.03 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.855 1.262 . . . . 10.0 111.699 -169.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.55 HH12 ' NE2' ' B' ' 85' ' ' GLN . 42.1 tpt85 -81.89 -44.63 16.57 Favored 'General case' 0 C--N 1.343 0.295 0 CA-C-N 118.731 0.696 . . . . 10.0 109.265 170.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' B' ' 48' ' ' PRO . 23.9 m -84.02 101.85 12.06 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 104.748 -2.316 . . . . 10.0 104.748 168.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.503 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.1 OUTLIER -89.74 -22.66 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 109.393 -0.595 . . . . 10.0 109.393 -171.182 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 50.3 p -88.84 1.36 0.06 OUTLIER Pre-proline 0 N--CA 1.465 0.282 0 N-CA-C 119.828 3.27 . . . . 10.0 119.828 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -64.11 -19.25 65.95 Favored 'Trans proline' 0 CA--C 1.549 1.274 0 CA-C-N 127.294 3.641 . . . . 10.0 113.346 174.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.1 p -81.01 -53.1 6.72 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.498 1.519 . . . . 10.0 111.397 169.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.77 -29.03 67.91 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.382 1.473 . . . . 10.0 111.903 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 20.6 tp -56.59 -22.05 31.03 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.967 2.507 . . . . 10.0 111.229 169.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -98.77 -58.81 1.86 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.401 1.08 . . . . 10.0 108.71 168.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.09 -39.05 34.73 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 117.537 2.421 . . . . 10.0 117.537 -168.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 tp -79.07 -34.63 43.5 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.428 1.013 . . . . 10.0 109.611 174.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.489 HD12 HD22 ' A' ' 16' ' ' LEU . 22.1 tp -61.65 -51.88 66.64 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 117.549 -1.215 . . . . 10.0 111.326 174.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 41.2 ptt85 -58.12 -41.25 83.22 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 120.611 1.551 . . . . 10.0 111.071 171.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 7.8 m -58.33 -33.35 69.41 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.916 1.686 . . . . 10.0 113.64 -176.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.718 HD22 HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -105.59 -12.69 15.85 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.238 1.199 . . . . 10.0 114.238 173.096 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -58.58 -42.77 88.8 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 106.808 -1.553 . . . . 10.0 106.808 167.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 14.1 p -73.01 112.34 15.06 Favored Pre-proline 0 CA--C 1.543 0.711 0 N-CA-C 101.65 -3.463 . . . . 10.0 101.65 165.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -67.85 161.99 41.57 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 121.558 1.505 . . . . 10.0 115.519 -168.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 16.3 p -57.36 -23.91 51.95 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 115.757 1.762 . . . . 10.0 115.757 -169.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 32.5 t -46.7 -67.11 0.42 Allowed Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.604 1.161 . . . . 10.0 113.93 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.41 -20.78 18.0 Favored 'Trans proline' 0 CA--C 1.552 1.385 0 C-N-CA 121.863 1.709 . . . . 10.0 113.0 169.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -89.9 18.25 5.91 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.341 1.856 . . . . 10.0 114.653 -172.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.44 4.34 0.38 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.404 1.881 . . . . 10.0 115.254 -175.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -105.34 175.99 5.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 124.274 1.988 . . . . 10.0 115.783 -169.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -48.01 -13.52 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 128.137 2.575 . . . . 10.0 116.118 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -68.28 -22.48 64.74 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 121.425 1.92 . . . . 10.0 113.286 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -73.89 -53.22 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 107.453 -1.314 . . . . 10.0 107.453 169.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.448 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 0.6 OUTLIER -59.44 -38.14 79.92 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.888 1.275 . . . . 10.0 111.25 -173.074 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -62.79 -28.66 70.14 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.98 1.312 . . . . 10.0 113.584 175.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 23.0 mt -90.14 -45.3 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-N 119.98 1.264 . . . . 10.0 109.839 172.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 11.4 mt -39.8 -59.6 1.14 Allowed 'General case' 0 C--N 1.344 0.355 0 C-N-CA 127.077 2.151 . . . . 10.0 112.891 172.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -13.19 52.96 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 114.28 1.215 . . . . 10.0 114.28 -173.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 52.2 p -82.25 -4.91 58.05 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.129 1.159 . . . . 10.0 114.129 173.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -134.16 82.54 47.58 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 119.211 0.914 . . . . 10.0 110.275 -174.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -49.64 -44.68 34.64 Favored 'Trans proline' 0 CA--C 1.535 0.542 0 C-N-CA 123.629 2.886 . . . . 10.0 115.516 -172.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.55 ' NE2' HH12 ' B' ' 50' ' ' ARG . 18.4 mt-30 -63.21 -45.69 90.5 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.445 0.535 . . . . 10.0 112.445 175.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.49 -35.61 80.69 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 118.478 -0.772 . . . . 10.0 110.745 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -49.21 74.06 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 120.009 1.277 . . . . 10.0 112.135 175.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.54 98.9 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.177 -0.952 . . . . 10.0 112.008 173.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.12 -37.26 86.51 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 118.21 -0.9 . . . . 10.0 112.856 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -57.8 -59.6 4.97 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 126.2 1.8 . . . . 10.0 108.361 169.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.37 -51.29 42.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 119.475 1.034 . . . . 10.0 110.719 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -61.0 2.95 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.654 1.182 . . . . 10.0 111.796 178.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -32.62 70.4 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 117.589 -1.196 . . . . 10.0 111.738 -173.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . 0.431 HH11 ' HA ' ' A' ' 18' ' ' SER . 27.5 mmm180 -61.16 -49.86 75.5 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 121.797 2.09 . . . . 10.0 109.88 170.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . 0.427 HG22 ' HB2' ' A' ' 43' ' ' ALA . 2.7 m -61.33 -40.06 92.81 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.618 -0.676 . . . . 10.0 111.581 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.92 -48.29 81.12 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.871 0.869 . . . . 10.0 112.462 171.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -42.2 65.48 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.673 1.189 . . . . 10.0 111.104 177.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -61.2 -59.81 4.73 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 117.782 -1.104 . . . . 10.0 111.972 172.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 26.1 m -62.31 -24.71 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 120.366 1.439 . . . . 10.0 113.181 -176.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.19 -15.7 62.48 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.697 1.369 . . . . 10.0 114.697 171.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -128.86 -19.66 3.61 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 115.046 1.498 . . . . 10.0 115.046 -178.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -146.8 85.2 7.19 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 130.04 3.336 . . . . 10.0 108.412 171.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -74.87 74.14 4.03 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.894 2.396 . . . . 10.0 111.819 -177.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.12 12.01 0.05 OUTLIER Glycine 0 CA--C 1.539 1.555 0 C-N-CA 127.109 2.29 . . . . 10.0 116.988 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.26 -0.57 7.04 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 127.872 2.469 . . . . 10.0 113.318 177.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 . . . . . 0 C--O 1.246 0.87 0 C-N-CA 124.285 1.034 . . . . 10.0 112.601 173.175 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 112.849 0.685 . . . . 10.0 112.849 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.86 15.36 32.32 Favored Glycine 0 CA--C 1.532 1.108 0 CA-C-N 119.814 1.188 . . . . 10.0 113.222 -175.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 60.7 -30.28 0.06 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 130.742 3.617 . . . . 10.0 115.03 -176.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.0 t -66.69 -20.38 65.96 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 117.542 -1.218 . . . . 10.0 112.277 169.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -89.31 -33.67 16.84 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 119.626 1.103 . . . . 10.0 109.526 169.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.464 ' OE2' HD12 ' B' ' 52' ' ' ILE . 17.5 tt0 -56.2 -58.75 6.61 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 118.054 -0.974 . . . . 10.0 111.329 172.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 mmm-85 -59.54 -38.97 82.46 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 119.071 -1.052 . . . . 10.0 112.798 -169.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.86 -49.18 73.77 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.773 0.829 . . . . 10.0 112.784 171.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.533 HD22 ' C ' ' A' ' 9' ' ' LEU 0.392 0.0 OUTLIER -71.97 -32.4 67.22 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 120.08 1.309 . . . . 10.0 113.16 -178.588 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.6 tp -63.11 -46.9 85.12 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 128.874 2.869 . . . . 10.0 110.097 170.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -58.16 -54.14 50.39 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.423 0.898 . . . . 10.0 113.423 172.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.493 ' HG3' ' HA ' ' A' ' 9' ' ' LEU . 3.9 pp0? -63.71 -29.33 70.57 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.342 0.974 . . . . 10.0 113.113 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.0 tp -75.06 -40.17 60.44 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.921 0.782 . . . . 10.0 111.868 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -73.23 -26.23 61.05 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.662 1.119 . . . . 10.0 111.952 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.4 m -63.19 -51.4 66.49 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.381 0.991 . . . . 10.0 110.554 169.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.5 tp -49.46 -53.65 21.89 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.704 0.802 . . . . 10.0 110.461 171.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.603 HD22 ' CE1' ' B' ' 90' ' ' PHE . 6.2 mt -65.17 -4.6 5.23 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.098 1.518 . . . . 10.0 115.098 176.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.586 ' HB2' ' HE3' ' B' ' 97' ' ' LYS . 84.8 p -138.61 15.64 2.73 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 119.523 -1.986 . . . . 10.0 114.626 -172.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -53.5 -6.83 0.08 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 131.174 3.79 . . . . 10.0 116.736 -177.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.7 p 117.56 -17.61 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.432 1 C-N-CA 135.167 5.387 . . . . 10.0 113.341 178.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -66.76 149.86 49.94 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 122.551 1.167 . . . . 10.0 113.497 173.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.64 -3.13 1.69 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.436 2.294 . . . . 10.0 113.805 170.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.7 m -50.17 -53.65 26.31 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 126.737 2.015 . . . . 10.0 113.669 -169.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.87 -25.04 8.71 Favored Glycine 0 CA--C 1.524 0.607 0 CA-C-O 119.482 -0.621 . . . . 10.0 113.776 171.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.28 -24.23 67.58 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 117.914 -1.041 . . . . 10.0 112.357 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -47.28 -42.97 21.91 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.329 1.052 . . . . 10.0 111.093 168.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.8 -51.02 68.72 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.776 1.171 . . . . 10.0 112.162 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.0 mm -59.74 -40.66 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 123.915 0.886 . . . . 10.0 109.768 176.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -74.52 -39.1 62.6 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 124.578 1.151 . . . . 10.0 110.732 -173.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -68.12 -34.82 77.08 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 119.686 1.13 . . . . 10.0 112.071 169.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.22 -20.02 62.32 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.295 0.952 . . . . 10.0 113.174 170.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.0 mt -108.36 10.88 27.46 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 125.811 1.644 . . . . 10.0 112.056 174.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.27 7.41 51.63 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 125.393 1.473 . . . . 10.0 115.224 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.264 59.5 mt -53.16 -46.04 97.98 Favored Pre-proline 0 CA--C 1.541 0.607 0 C-N-CA 126.032 1.733 . . . . 10.0 115.157 -170.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -53.52 -40.77 77.67 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 122.585 2.19 . . . . 10.0 113.62 170.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -75.88 -25.31 56.0 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.641 1.109 . . . . 10.0 113.054 174.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.28 -33.35 75.11 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 120.037 1.289 . . . . 10.0 111.296 169.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.591 HG21 ' HB2' ' B' ' 98' ' ' TYR . 91.7 t -66.94 -60.61 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.485 1.114 . . . . 10.0 110.078 169.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -57.66 -39.86 78.04 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.351 0.523 . . . . 10.0 111.842 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . 2.296 29.3 pt20 -59.19 -19.75 47.99 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 129.316 3.046 . . . . 10.0 114.435 175.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.38 -10.37 16.86 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.521 1.534 . . . . 10.0 113.991 -169.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -57.94 -15.79 10.02 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.316 1.846 . . . . 10.0 113.423 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.3 -28.07 39.74 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.945 1.698 . . . . 10.0 113.036 169.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.5 mt -79.76 -7.58 58.73 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.995 1.318 . . . . 10.0 114.191 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -72.35 169.72 15.67 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 124.666 1.186 . . . . 10.0 112.447 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -63.04 -24.81 73.59 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 122.468 2.112 . . . . 10.0 113.919 168.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.256 1.402 0 C-N-CA 128.158 2.583 . . . . 10.0 110.737 170.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' B' ' 51' ' ' SER . 23.5 Cg_endo . . . . . 0 N--CA 1.481 0.762 0 N-CA-C 108.338 -1.447 . . . . 10.0 108.338 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -126.64 -41.0 1.88 Allowed 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 113.843 1.053 . . . . 10.0 113.843 -167.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . 0.269 0.0 OUTLIER -117.66 -5.4 11.14 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.484 1.113 . . . . 10.0 112.563 168.137 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.459 ' O ' ' HA ' ' B' ' 48' ' ' PRO . 70.7 m -126.81 98.44 5.36 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 101.054 -3.684 . . . . 10.0 101.054 167.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.489 ' H ' HD12 ' B' ' 52' ' ' ILE . 1.5 mp -89.6 -15.25 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 119.53 1.059 . . . . 10.0 110.583 -169.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 3.5 p -98.21 6.09 0.07 OUTLIER Pre-proline 0 CA--C 1.543 0.698 0 N-CA-C 118.821 2.897 . . . . 10.0 118.821 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -63.12 -18.8 66.81 Favored 'Trans proline' 0 CA--C 1.551 1.362 0 CA-C-N 126.585 3.388 . . . . 10.0 113.269 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.4 p -78.5 -53.91 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 125.942 1.697 . . . . 10.0 111.175 169.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.9 -26.78 62.63 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.255 1.422 . . . . 10.0 112.562 172.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.51 -22.87 62.24 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.595 1.958 . . . . 10.0 112.317 170.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -94.37 -59.96 1.83 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.248 1.019 . . . . 10.0 108.759 169.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.99 -53.77 9.33 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.766 1.395 . . . . 10.0 114.766 -169.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.0 tp -68.23 -34.77 76.85 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.527 -1.358 . . . . 10.0 110.345 178.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.54 -60.65 3.14 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 117.606 -1.188 . . . . 10.0 110.471 170.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -35.49 70.6 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 120.327 1.421 . . . . 10.0 112.197 178.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . 0.438 HG21 ' HA ' ' B' ' 76' ' ' VAL . 1.2 m -62.63 -20.96 65.31 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.447 1.899 . . . . 10.0 115.285 -179.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -117.52 -19.34 9.48 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 124.817 1.323 . . . . 10.0 113.635 172.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -61.63 -40.72 95.88 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 107.71 -1.218 . . . . 10.0 107.71 167.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 10.3 p -68.46 127.94 93.14 Favored Pre-proline 0 CA--C 1.546 0.805 0 N-CA-C 105.515 -2.032 . . . . 10.0 105.515 167.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.03 151.88 45.28 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 121.496 1.464 . . . . 10.0 114.982 -168.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 1.1 m -58.37 15.67 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.751 1 C-N-CA 131.885 4.074 . . . . 10.0 116.024 -170.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.2 t -76.52 -81.8 0.04 OUTLIER Pre-proline 0 CA--C 1.539 0.528 0 C-N-CA 124.908 1.283 . . . . 10.0 110.718 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -72.52 -24.03 19.4 Favored 'Trans proline' 0 C--N 1.359 1.12 0 CA-C-N 122.47 1.918 . . . . 10.0 111.549 169.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -68.36 -3.99 13.0 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 125.601 1.56 . . . . 10.0 113.87 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -20.78 63.65 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.127 1.771 . . . . 10.0 112.274 168.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -59.27 160.26 6.74 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 122.511 1.148 . . . . 10.0 113.05 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -51.22 -2.44 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 128.928 2.891 . . . . 10.0 115.989 171.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . 0.423 ' NE2' HG23 ' B' ' 63' ' ' THR . 2.7 pp0? -60.41 -31.07 70.03 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 119.879 1.218 . . . . 10.0 113.012 169.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.438 ' HA ' HG21 ' B' ' 63' ' ' THR . 2.5 t -67.84 -52.61 38.06 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 C-N-CA 119.107 -1.037 . . . . 10.0 108.426 171.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.77 -43.49 72.84 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.2 1.4 . . . . 10.0 110.906 -175.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -59.35 -33.91 71.73 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.564 1.146 . . . . 10.0 113.351 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 7.6 mt -91.0 -36.77 8.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 119.032 0.833 . . . . 10.0 111.545 175.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.2 mt -46.3 -45.45 17.41 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 127.502 2.321 . . . . 10.0 112.864 174.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -59.86 -14.51 15.52 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.838 1.421 . . . . 10.0 114.838 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 90.0 p -73.62 -56.17 5.35 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.737 1.384 . . . . 10.0 114.737 -172.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -89.47 105.04 9.34 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 119.414 1.006 . . . . 10.0 108.916 170.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -60.98 -31.91 91.85 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 122.847 2.365 . . . . 10.0 111.949 -174.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -72.99 -41.55 64.19 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.99 0.916 . . . . 10.0 110.521 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.17 -41.49 92.97 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.408 1.004 . . . . 10.0 110.383 169.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -50.48 73.47 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 175.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.89 99.7 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 112.335 0.494 . . . . 10.0 112.335 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.7 76.85 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.84 1.256 . . . . 10.0 110.993 175.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.603 ' CE1' HD22 ' A' ' 17' ' ' LEU . 75.8 t80 -49.2 -60.33 2.9 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.587 1.555 . . . . 10.0 109.267 170.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 85.9 mt -50.95 -55.05 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 119.555 1.071 . . . . 10.0 111.555 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.405 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.0 OUTLIER -56.3 -57.6 11.56 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.844 0.858 . . . . 10.0 111.724 -179.203 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -67.17 -39.95 86.55 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.634 1.573 . . . . 10.0 112.408 -175.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -61.5 -44.48 96.99 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 119.911 1.232 . . . . 10.0 110.958 172.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 3.1 m -59.51 -49.93 75.88 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 118.923 -0.56 . . . . 10.0 110.099 176.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.43 -45.89 69.6 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 118.412 -0.804 . . . . 10.0 111.663 170.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . 0.586 ' HE3' ' HB2' ' A' ' 18' ' ' SER . 5.9 tppt? -50.22 -19.79 0.88 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.145 1.778 . . . . 10.0 115.03 177.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' TYR . . . . . 0.591 ' HB2' HG21 ' A' ' 38' ' ' VAL . 20.3 m-85 -103.83 -14.35 16.07 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 116.031 1.863 . . . . 10.0 116.031 175.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . 0.488 14.1 m -60.63 -49.97 82.31 Favored 'Isoleucine or valine' 0 C--N 1.344 0.351 0 CA-C-N 120.513 1.506 . . . . 10.0 113.242 -170.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.79 ' HB3' ' HA ' ' B' ' 103' ' ' PRO . . . -90.98 29.76 1.32 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 119.732 -0.787 . . . . 10.0 111.587 167.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 2.5 t30 69.8 -37.41 0.38 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 129.169 2.988 . . . . 10.0 110.266 -167.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . 0.401 ' H ' ' C ' ' B' ' 100' ' ' ALA . 16.0 mp0 -149.27 102.07 3.33 Favored Pre-proline 0 CA--C 1.547 0.846 1 C-N-CA 135.277 5.431 . . . . 10.0 100.992 167.469 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . 0.79 ' HA ' ' HB3' ' B' ' 100' ' ' ALA . 89.8 Cg_endo -55.93 -10.16 3.85 Favored 'Trans proline' 0 CA--C 1.544 0.999 1 C-N-CA 127.915 5.743 . . . . 10.0 116.126 -166.46 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 71.81 -52.38 1.26 Allowed Glycine 0 CA--C 1.533 1.21 0 C-N-CA 126.611 2.053 . . . . 10.0 114.003 -170.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 19.9 ptp -80.88 -4.51 55.07 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.079 1.752 . . . . 10.0 115.719 -175.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 C--O 1.254 1.315 0 C-N-CA 126.408 1.883 . . . . 10.0 111.609 -175.584 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 109.915 -0.402 . . . . 10.0 109.915 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.08 35.49 2.29 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 127.629 2.538 . . . . 10.0 109.242 170.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 54.4 -6.59 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 129.91 3.284 . . . . 10.0 116.723 -175.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 m -131.42 -29.3 1.79 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 128.729 2.811 . . . . 10.0 112.757 -168.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -57.53 -28.6 63.64 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.209 1.404 . . . . 10.0 111.762 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -39.58 -44.83 1.51 Allowed 'General case' 0 CA--C 1.513 -0.46 0 C-N-CA 127.277 2.231 . . . . 10.0 112.088 170.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.526 ' HE ' ' CG ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -59.52 -51.98 67.53 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 120.584 1.538 . . . . 10.0 112.394 -177.084 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.44 -39.86 92.58 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.661 -0.685 . . . . 10.0 112.452 176.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.426 HD22 HD13 ' B' ' 57' ' ' LEU . 77.4 mt -63.25 -52.82 60.59 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 118.519 0.6 . . . . 10.0 110.657 176.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.49 HD23 HH22 ' A' ' 7' ' ' ARG . 45.3 tp -60.17 -45.64 92.4 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 125.148 1.379 . . . . 10.0 110.28 178.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.526 ' CG ' ' HE ' ' A' ' 7' ' ' ARG . 81.5 m-20 -59.01 -51.44 70.06 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.492 0.587 . . . . 10.0 112.206 177.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.412 HE21 ' C ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -70.08 -24.47 63.23 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 118.042 -0.98 . . . . 10.0 113.247 178.715 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.87 -47.52 25.14 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 120.167 1.348 . . . . 10.0 111.211 172.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -65.86 -30.16 70.73 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 120.681 1.582 . . . . 10.0 111.095 176.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.6 m -59.83 -55.43 34.28 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.8 0.84 . . . . 10.0 109.209 169.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tp -50.88 -55.74 15.58 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.736 0.814 . . . . 10.0 112.236 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.639 HD13 HD22 ' B' ' 64' ' ' LEU . 2.6 mm? -65.97 -17.67 64.83 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.607 1.336 . . . . 10.0 114.607 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 p -125.07 11.21 8.22 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 115.004 1.483 . . . . 10.0 115.004 -172.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -47.04 -5.62 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.873 1 C-N-CA 132.596 4.359 . . . . 10.0 118.585 -172.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.1 p 112.08 -18.96 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.08 1 C-N-CA 134.462 5.105 . . . . 10.0 112.03 -171.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -67.19 156.28 36.67 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 121.544 1.975 . . . . 10.0 113.918 174.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.67 -1.16 0.8 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.084 2.154 . . . . 10.0 113.679 169.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 m -47.37 -42.81 22.5 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 116.79 2.144 . . . . 10.0 116.79 -167.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.27 -15.37 3.41 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 124.273 0.94 . . . . 10.0 113.69 168.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.709 HD11 HD21 ' B' ' 64' ' ' LEU . 4.9 mt -59.88 -24.79 64.55 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 123.702 0.801 . . . . 10.0 111.033 169.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -44.02 -43.52 6.77 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.076 1.751 . . . . 10.0 114.428 170.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -66.8 -49.06 67.03 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.944 0.898 . . . . 10.0 112.025 174.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 mm -61.92 -38.47 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 124.265 1.026 . . . . 10.0 109.77 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -62.4 -53.64 52.04 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 125.253 1.421 . . . . 10.0 109.931 175.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.9 ptt-85 -67.14 -35.01 78.8 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.191 0.905 . . . . 10.0 112.778 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.82 -20.18 61.14 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.311 1.044 . . . . 10.0 113.392 172.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.8 mt -112.47 16.4 19.86 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.761 1.624 . . . . 10.0 111.724 174.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.78 11.41 49.72 Favored Glycine 0 C--N 1.343 0.971 0 C-N-CA 125.363 1.459 . . . . 10.0 115.3 175.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.264 20.1 mt -55.08 -43.0 98.83 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-N 118.856 1.328 . . . . 10.0 113.406 -170.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -55.99 -34.29 91.81 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.849 2.366 . . . . 10.0 115.081 169.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.63 -46.47 63.26 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 120.914 -1.116 . . . . 10.0 110.33 169.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.8 mt -52.45 -38.25 58.84 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.35 0.977 . . . . 10.0 111.946 174.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.08 -59.49 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.718 1.207 . . . . 10.0 110.991 169.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -51.0 -41.93 60.07 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.946 1.298 . . . . 10.0 113.415 178.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -68.86 -20.03 64.27 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 128.848 2.859 . . . . 10.0 113.307 175.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.48 4.45 68.08 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.643 1.592 . . . . 10.0 114.876 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -62.78 -12.87 27.09 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.382 1.873 . . . . 10.0 113.643 -172.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.03 -31.82 31.54 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.149 -0.969 . . . . 10.0 112.012 169.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.4 mt -81.66 -15.03 55.83 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 114.487 1.291 . . . . 10.0 114.487 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -80.8 160.07 67.42 Favored Pre-proline 0 N--CA 1.472 0.65 0 CA-C-N 119.564 1.074 . . . . 10.0 112.103 176.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.59 -8.75 24.09 Favored 'Trans proline' 0 CA--C 1.548 1.179 0 C-N-CA 123.184 2.589 . . . . 10.0 114.312 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.203 0 C-N-CA 126.956 2.102 . . . . 10.0 108.046 170.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' B' ' 51' ' ' SER . 14.6 Cg_endo . . . . . 0 N--CA 1.48 0.703 0 N-CA-C 109.473 -1.011 . . . . 10.0 109.473 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -132.89 -24.95 1.88 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.635 0.976 . . . . 10.0 113.635 -168.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -118.6 -54.82 2.24 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 127.946 2.498 . . . . 10.0 106.631 168.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.457 ' O ' ' HA ' ' B' ' 48' ' ' PRO . 16.8 m -90.88 102.75 15.51 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 105.179 -2.156 . . . . 10.0 105.179 168.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.478 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.2 OUTLIER -89.58 -15.06 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 109.142 -0.688 . . . . 10.0 109.142 -170.417 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 34.1 p -94.0 5.75 0.06 OUTLIER Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 119.85 3.278 . . . . 10.0 119.85 -175.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -64.18 -20.16 66.82 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 CA-C-N 126.248 3.267 . . . . 10.0 113.011 173.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 16.2 p -81.41 -50.93 8.87 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.085 1.754 . . . . 10.0 111.744 169.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.8 -26.86 67.6 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.867 0.867 . . . . 10.0 112.9 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.426 HD13 HD22 ' A' ' 9' ' ' LEU . 27.1 tp -60.13 -24.33 64.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 127.127 2.171 . . . . 10.0 111.288 169.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -90.97 -60.01 2.02 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 169.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.62 -40.05 17.93 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 118.8 2.889 . . . . 10.0 118.8 -167.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 14.5 tp -77.78 -35.65 51.31 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.088 1.313 . . . . 10.0 109.512 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.72 -52.35 63.59 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.061 1.344 . . . . 10.0 110.705 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 39.5 ptt85 -60.13 -35.74 75.94 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 121.318 1.872 . . . . 10.0 112.297 172.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 5.2 m -62.65 -25.38 68.1 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.855 1.662 . . . . 10.0 113.911 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.709 HD21 HD11 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -114.64 -13.82 12.09 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 114.406 1.261 . . . . 10.0 114.406 170.851 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -61.86 -37.39 84.33 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 106.363 -1.718 . . . . 10.0 106.363 167.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 8.9 p -75.61 110.49 10.77 Favored Pre-proline 0 CA--C 1.548 0.866 0 N-CA-C 103.077 -2.934 . . . . 10.0 103.077 166.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.18 155.08 41.84 Favored 'Trans proline' 0 C--N 1.353 0.815 0 N-CA-C 117.459 2.061 . . . . 10.0 117.459 -168.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 45.3 p -60.11 -24.57 64.76 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 114.173 -1.376 . . . . 10.0 113.763 -169.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 29.2 t -49.26 -65.8 0.74 Allowed Pre-proline 0 CA--C 1.55 0.96 0 CA-C-O 117.24 -1.362 . . . . 10.0 113.327 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.83 -23.74 25.57 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 CA-C-N 122.327 1.867 . . . . 10.0 112.972 169.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -89.8 17.28 6.8 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.938 1.695 . . . . 10.0 113.722 -171.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.33 13.95 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.947 2.099 . . . . 10.0 115.301 -175.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -117.28 176.3 5.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 116.563 2.061 . . . . 10.0 116.563 -169.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -49.73 -11.95 0.06 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.203 2.201 . . . . 10.0 115.947 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -66.48 -25.79 66.88 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-N 121.529 1.968 . . . . 10.0 113.61 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.49 -51.94 37.23 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 N-CA-C 107.774 -1.195 . . . . 10.0 107.774 169.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.05 -36.63 82.21 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.186 1.395 . . . . 10.0 111.369 -172.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -64.62 -30.61 71.63 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.014 1.725 . . . . 10.0 113.352 176.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.6 mt -89.78 -43.85 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.817 0.735 . . . . 10.0 109.914 174.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 mt -40.28 -55.69 2.13 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 127.331 2.252 . . . . 10.0 111.469 173.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -57.05 -23.22 44.95 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 114.648 1.351 . . . . 10.0 114.648 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 60.5 p -79.26 -7.38 58.23 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.985 0.914 . . . . 10.0 113.466 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -132.13 85.72 49.0 Favored Pre-proline 0 CA--C 1.535 0.39 0 O-C-N 120.75 -1.219 . . . . 10.0 108.901 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -51.12 -45.62 35.72 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 124.021 3.147 . . . . 10.0 114.833 -170.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -62.02 -44.58 96.4 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 112.918 0.711 . . . . 10.0 112.918 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.76 -40.77 98.3 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 125.332 1.453 . . . . 10.0 110.367 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -52.93 63.57 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.127 0.971 . . . . 10.0 113.359 171.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.34 -43.73 98.14 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.536 0.607 . . . . 10.0 112.203 176.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.58 92.96 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.933 0.893 . . . . 10.0 112.703 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -56.59 -60.22 3.86 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 124.44 1.096 . . . . 10.0 109.237 169.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 63.2 mt -51.17 -53.56 14.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 118.615 0.643 . . . . 10.0 110.838 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.461 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.0 OUTLIER -58.15 -60.16 4.19 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 123.47 0.708 . . . . 10.0 112.345 -179.861 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -32.95 70.67 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 117.01 -1.472 . . . . 10.0 111.737 -174.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -57.3 -48.91 77.73 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 121.542 1.974 . . . . 10.0 110.85 169.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.6 m -61.18 -44.2 97.67 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.422 0.689 . . . . 10.0 110.581 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.96 -44.56 97.14 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.598 0.759 . . . . 10.0 112.948 172.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.54 -48.26 48.51 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.826 2.051 . . . . 10.0 109.89 173.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -59.12 -61.14 2.86 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-O 118.694 -0.67 . . . . 10.0 112.137 175.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 29.3 m -60.79 -24.4 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 113.779 1.029 . . . . 10.0 113.779 -174.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.97 -20.33 23.43 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 116.255 1.946 . . . . 10.0 116.255 176.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -142.39 -21.69 0.68 Allowed 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 120.742 1.61 . . . . 10.0 114.19 -170.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -142.43 70.68 21.52 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 126.875 2.07 . . . . 10.0 109.435 170.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -73.52 -10.14 23.47 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.005 1.803 . . . . 10.0 112.46 -172.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.45 42.65 0.85 Allowed Glycine 0 CA--C 1.538 1.517 0 C-N-CA 125.628 1.585 . . . . 10.0 112.856 169.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 33.28 -19.51 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.593 1 C-N-CA 135.039 5.335 . . . . 10.0 121.657 -169.76 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 . . . . . 0 C--O 1.253 1.242 0 CA-C-O 115.406 -2.235 . . . . 10.0 112.348 -179.681 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 118.081 -0.961 . . . . 10.0 113.118 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.36 4.34 68.4 Favored Glycine 0 CA--C 1.543 1.819 0 CA-C-N 121.118 1.781 . . . . 10.0 113.932 174.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 61.43 -30.3 0.07 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 130.175 3.39 . . . . 10.0 114.445 -170.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t -65.9 -8.0 19.75 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.975 1.31 . . . . 10.0 112.649 169.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -94.81 -60.34 1.72 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.731 2.012 . . . . 10.0 109.397 169.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -40.8 -48.08 2.99 Favored 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 128.979 2.912 . . . . 10.0 111.988 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -64.79 -39.68 94.0 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 119.659 1.118 . . . . 10.0 111.722 -173.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.01 -42.95 75.73 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.721 0.809 . . . . 10.0 111.207 174.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.421 HD22 HD13 ' B' ' 57' ' ' LEU . 65.3 mt -62.31 -43.08 99.65 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.093 0.957 . . . . 10.0 111.784 176.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 tp -58.88 -50.11 75.23 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 128.413 2.685 . . . . 10.0 111.019 171.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -59.22 -51.83 68.3 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 177.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -65.43 -26.89 68.17 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 177.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 mt -75.56 -47.55 26.26 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 119.56 1.073 . . . . 10.0 113.751 172.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -66.36 -27.51 67.94 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 120.709 1.595 . . . . 10.0 111.226 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.4 m -71.14 -43.62 67.2 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 117.149 -1.405 . . . . 10.0 111.693 169.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' B' ' 61' ' ' LEU . 6.1 tp -50.97 -53.71 30.69 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 121.267 1.849 . . . . 10.0 110.331 169.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.675 HD13 HD22 ' B' ' 64' ' ' LEU . 2.4 mm? -64.36 -15.49 60.51 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.248 1.203 . . . . 10.0 114.248 178.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.1 t -123.58 16.52 9.59 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 120.068 -1.645 . . . . 10.0 113.488 -173.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -52.08 -0.67 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 130.627 3.571 . . . . 10.0 117.518 -172.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.6 p 115.68 -16.73 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.104 1 C-N-CA 135.571 5.549 . . . . 10.0 112.241 178.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.86 159.72 33.29 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-O 123.7 1.714 . . . . 10.0 114.567 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -143.49 -4.86 0.86 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 127.933 2.493 . . . . 10.0 112.987 169.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.7 m -50.05 -47.77 53.28 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 127.733 2.413 . . . . 10.0 115.652 -168.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.31 -12.23 7.63 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 123.747 0.689 . . . . 10.0 113.344 169.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.437 HD11 HD21 ' B' ' 64' ' ' LEU . 4.2 mt -62.58 -22.97 66.76 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 118.251 -0.881 . . . . 10.0 112.144 169.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.06 -40.86 7.11 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.616 1.566 . . . . 10.0 114.347 169.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -59.06 -54.13 50.54 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 119.429 1.013 . . . . 10.0 112.053 170.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.0 mm -69.27 -31.88 51.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.459 0.704 . . . . 10.0 109.269 -170.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -65.18 -53.25 47.64 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.765 1.626 . . . . 10.0 110.346 171.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -64.88 -38.49 91.16 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.929 1.24 . . . . 10.0 112.192 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.41 -19.94 57.91 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.422 1.089 . . . . 10.0 113.902 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.1 mt -118.21 17.83 13.88 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.489 1.516 . . . . 10.0 111.309 176.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.91 6.48 24.81 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 126.164 1.84 . . . . 10.0 115.627 174.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.269 18.0 mt -46.6 -46.48 48.93 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 126.345 1.858 . . . . 10.0 113.99 -169.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -55.54 -28.12 63.18 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.182 2.588 . . . . 10.0 115.681 176.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -73.33 -41.15 63.83 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.683 1.583 . . . . 10.0 110.579 171.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.8 mt -57.38 -24.02 52.77 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.134 1.374 . . . . 10.0 112.885 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.3 t -64.02 -58.9 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 126.269 1.828 . . . . 10.0 110.453 170.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -61.49 -32.88 72.91 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.79 0.836 . . . . 10.0 111.862 176.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -64.69 -19.88 65.99 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.254 1.422 . . . . 10.0 113.498 171.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.78 14.01 81.81 Favored Glycine 0 C--N 1.349 1.297 0 O-C-N 120.85 -1.156 . . . . 10.0 113.944 -174.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -60.09 -20.62 59.09 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.639 1.575 . . . . 10.0 113.952 -171.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.1 -28.0 56.02 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.319 1.048 . . . . 10.0 113.731 169.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.9 mt -97.11 -12.87 22.62 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.89 1.07 . . . . 10.0 113.89 -171.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -70.52 143.89 90.79 Favored Pre-proline 0 CA--C 1.546 0.796 0 CA-C-N 119.62 1.1 . . . . 10.0 111.526 173.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -74.83 -0.75 10.28 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.787 2.991 . . . . 10.0 113.891 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.885 0 C-N-CA 127.46 2.304 . . . . 10.0 109.041 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo . . . . . 0 CA--C 1.539 0.74 0 N-CA-C 110.445 -0.637 . . . . 10.0 110.445 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -134.33 -59.73 0.82 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.672 0.789 . . . . 10.0 112.093 -168.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -81.72 -62.6 1.6 Allowed 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 104.768 -2.308 . . . . 10.0 104.768 168.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 53.5 p -70.17 114.1 7.99 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 108.047 -1.094 . . . . 10.0 108.047 168.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.64 -18.27 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 123.649 0.78 . . . . 10.0 110.537 -177.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 57.5 p -98.01 5.85 0.07 OUTLIER Pre-proline 0 C--O 1.221 -0.396 0 N-CA-C 119.135 3.013 . . . . 10.0 119.135 -175.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -66.33 -19.82 55.57 Favored 'Trans proline' 0 CA--C 1.547 1.169 0 CA-C-N 125.701 3.072 . . . . 10.0 112.722 175.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 16.1 p -80.66 -51.48 8.65 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 125.411 1.484 . . . . 10.0 110.583 169.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.0 -29.47 70.29 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.599 1.16 . . . . 10.0 112.564 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.421 HD13 HD22 ' A' ' 9' ' ' LEU . 15.9 tp -57.2 -28.83 63.2 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 127.653 2.381 . . . . 10.0 111.697 170.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -90.74 -60.48 1.91 Allowed 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.188 -0.671 . . . . 10.0 109.188 168.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.6 -37.55 27.44 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 119.329 3.085 . . . . 10.0 119.329 -167.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 tp -79.85 -38.68 32.26 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 120.151 1.341 . . . . 10.0 109.367 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.409 ' HA ' HD22 ' A' ' 16' ' ' LEU . 14.7 tp -55.82 -51.91 65.85 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 125.885 1.674 . . . . 10.0 109.742 170.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -52.74 -53.65 44.94 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 125.071 1.349 . . . . 10.0 111.173 168.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 9.0 m -54.82 -33.46 61.64 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.703 1.601 . . . . 10.0 114.491 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.675 HD22 HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -104.06 -14.51 15.89 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.935 1.087 . . . . 10.0 113.935 172.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -37.92 78.07 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-O 118.234 -0.889 . . . . 10.0 108.628 168.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 25.3 p -76.77 113.47 30.06 Favored Pre-proline 0 CA--C 1.544 0.743 0 N-CA-C 103.694 -2.706 . . . . 10.0 103.694 166.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -62.01 159.01 35.93 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 N-CA-C 118.217 2.353 . . . . 10.0 118.217 -168.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 79.3 p -56.61 -32.91 65.74 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 126.957 2.103 . . . . 10.0 113.614 -169.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.7 t -46.87 -67.34 0.4 Allowed Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 125.206 1.402 . . . . 10.0 113.811 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -68.87 -23.44 35.04 Favored 'Trans proline' 0 C--N 1.358 1.037 0 CA-C-N 121.716 1.648 . . . . 10.0 113.093 170.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -88.41 11.81 15.93 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.566 1.546 . . . . 10.0 115.018 -173.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -71.63 46.36 0.12 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.55 1.94 . . . . 10.0 114.54 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -142.56 179.17 7.13 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 123.361 1.553 . . . . 10.0 113.146 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -62.85 -5.6 2.99 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.68 1.592 . . . . 10.0 115.272 -169.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -67.55 -23.27 65.41 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 121.306 1.866 . . . . 10.0 112.85 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -72.39 -52.31 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 107.55 -1.278 . . . . 10.0 107.55 169.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.414 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 0.5 OUTLIER -59.32 -37.92 79.01 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.466 1.106 . . . . 10.0 111.234 -174.261 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -62.43 -30.2 71.05 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.323 1.449 . . . . 10.0 113.861 175.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.2 mt -90.26 -43.6 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 118.935 0.789 . . . . 10.0 109.829 174.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.414 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 10.6 mt -40.82 -60.05 1.27 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.791 2.036 . . . . 10.0 111.248 172.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -14.07 61.07 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 114.449 1.277 . . . . 10.0 114.449 -173.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 48.0 p -77.19 -7.68 56.26 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.767 1.025 . . . . 10.0 113.767 173.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -131.21 84.44 57.01 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 125.013 1.325 . . . . 10.0 108.099 -175.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -49.36 -48.27 19.32 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 124.65 3.566 . . . . 10.0 115.066 -169.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -63.67 -46.13 86.96 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.519 1.528 . . . . 10.0 112.14 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.11 -42.41 94.65 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.473 0.709 . . . . 10.0 109.948 174.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 4.4 ttt -63.1 -47.59 82.16 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.514 0.726 . . . . 10.0 112.119 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.2 95.86 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.467 0.576 . . . . 10.0 112.103 174.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.21 -45.05 92.13 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 118.667 -0.682 . . . . 10.0 111.655 174.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -52.6 -58.59 6.3 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.9 1.68 . . . . 10.0 108.573 171.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 88.8 mt -52.88 -53.03 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 119.055 0.843 . . . . 10.0 110.458 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -60.07 -59.13 5.91 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.856 0.863 . . . . 10.0 112.2 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -70.42 -34.49 72.57 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.956 1.302 . . . . 10.0 112.382 -173.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -59.3 -43.66 92.6 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 121.262 1.846 . . . . 10.0 109.706 169.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.0 m -60.75 -43.0 98.52 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-O 119.149 -0.453 . . . . 10.0 111.984 172.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.9 -50.48 72.39 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.603 1.161 . . . . 10.0 112.468 173.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -49.22 -47.09 46.55 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.206 1.803 . . . . 10.0 110.896 170.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -65.6 -55.99 14.66 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.927 1.084 . . . . 10.0 113.927 175.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.71 -20.54 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-N 120.63 1.559 . . . . 10.0 113.936 -173.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.33 -6.15 59.26 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.87 1.433 . . . . 10.0 114.87 171.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.39 -38.1 2.59 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.448 1.899 . . . . 10.0 111.562 -170.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -142.25 86.53 10.06 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 129.912 3.285 . . . . 10.0 106.584 170.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -58.07 162.48 11.4 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.238 2.625 . . . . 10.0 114.244 -174.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.09 52.66 1.37 Allowed Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.306 1.432 . . . . 10.0 112.481 171.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 15.6 ptt? -86.05 1.65 49.51 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 127.415 2.286 . . . . 10.0 114.231 -172.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.137 0 C-N-CA 127.083 2.153 . . . . 10.0 108.131 175.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 120.763 0.316 . . . . 10.0 110.793 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -134.35 -12.94 1.36 Allowed Glycine 0 N--CA 1.471 1.019 0 CA-C-O 118.234 -1.314 . . . . 10.0 115.865 176.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 75.7 -36.31 0.29 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 129.026 2.93 . . . . 10.0 111.122 -170.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.9 m -61.76 -7.17 3.23 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.959 1.304 . . . . 10.0 113.293 169.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -104.54 -10.56 17.53 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 127.892 2.477 . . . . 10.0 110.315 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 1.4 mm-40 -64.14 -52.33 59.61 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 117.866 -1.064 . . . . 10.0 111.327 178.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -40.79 -45.14 2.39 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 115.882 1.808 . . . . 10.0 115.882 -168.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.11 -45.29 74.09 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 120.579 1.536 . . . . 10.0 114.204 174.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 6' ' ' GLU 0.292 0.0 OUTLIER -76.84 -31.02 56.59 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.867 1.212 . . . . 10.0 111.645 178.72 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.81 -47.39 83.66 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 127.876 2.47 . . . . 10.0 109.819 169.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -58.03 -52.8 64.01 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-O 117.752 -1.118 . . . . 10.0 112.742 169.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.401 HE21 ' C ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -66.54 -26.85 67.34 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 120.424 1.465 . . . . 10.0 112.954 -179.754 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.42 -45.78 36.82 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 119.878 1.217 . . . . 10.0 111.483 172.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . 0.263 4.1 p80 -68.72 -28.69 67.05 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 121.057 1.753 . . . . 10.0 111.335 177.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 m -64.88 -43.4 93.03 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.931 0.892 . . . . 10.0 110.915 169.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.433 HD22 HD12 ' B' ' 61' ' ' LEU . 6.6 tp -58.01 -54.27 48.87 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 119.884 1.22 . . . . 10.0 110.706 171.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.705 HD13 HD22 ' B' ' 64' ' ' LEU . 1.9 mm? -62.73 -19.49 63.98 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.949 1.25 . . . . 10.0 113.159 178.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.9 t -119.08 20.97 12.55 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.896 1.279 . . . . 10.0 114.314 -176.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -54.89 -15.29 1.86 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 127.237 2.215 . . . . 10.0 113.855 -175.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.307 49.4 p 121.25 -10.15 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.807 1 C-N-CA 135.169 5.387 . . . . 10.0 111.257 169.498 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -59.45 152.32 21.9 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 123.883 1.802 . . . . 10.0 112.047 170.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.15 -6.61 1.6 Allowed 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 127.192 2.197 . . . . 10.0 112.632 171.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.2 m -43.41 -57.5 3.03 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 126.666 1.986 . . . . 10.0 116.25 -168.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.31 -2.71 21.46 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 124.677 1.132 . . . . 10.0 111.881 168.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.406 HD11 HD21 ' B' ' 64' ' ' LEU . 1.1 mt -68.75 -28.32 66.69 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-O 118.039 -0.982 . . . . 10.0 111.612 169.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -55.1 -36.09 65.31 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.749 1.62 . . . . 10.0 112.589 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -65.42 -50.73 64.35 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.715 2.006 . . . . 10.0 113.082 169.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.427 HD11 HG21 ' B' ' 76' ' ' VAL . 8.8 mt -59.9 -40.71 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.684 0.794 . . . . 10.0 110.429 175.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.408 ' HA ' HD12 ' A' ' 34' ' ' ILE . 78.3 m-20 -60.1 -52.17 66.47 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.615 1.566 . . . . 10.0 110.83 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.7 ptt-85 -63.9 -38.81 92.45 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 118.17 -0.919 . . . . 10.0 112.673 173.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.63 -19.9 59.31 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.7 1.0 . . . . 10.0 113.7 174.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.2 mt -116.65 22.74 12.5 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.634 1.574 . . . . 10.0 112.567 169.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 67.36 5.07 33.65 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 125.496 1.522 . . . . 10.0 116.321 169.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 29' ' ' ASP . 5.8 mt -52.33 -47.11 93.89 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-N 119.652 1.726 . . . . 10.0 114.006 -171.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.42 -31.54 92.73 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 122.508 2.139 . . . . 10.0 113.273 174.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -73.83 -36.72 64.95 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.109 -0.995 . . . . 10.0 111.405 171.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.85 -32.61 69.59 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.741 1.155 . . . . 10.0 112.007 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.9 t -65.65 -48.2 83.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 123.86 0.864 . . . . 10.0 110.444 169.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -58.88 -45.54 89.96 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.946 1.248 . . . . 10.0 111.807 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -61.2 -19.65 61.86 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.985 2.114 . . . . 10.0 113.779 170.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.82 15.79 60.81 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.78 1.181 . . . . 10.0 113.949 173.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -79.82 48.82 0.99 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 126.277 1.831 . . . . 10.0 111.123 -170.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.86 -71.42 0.07 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.791 2.836 . . . . 10.0 117.898 -169.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.2 mt -128.47 -12.17 5.01 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.447 1.277 . . . . 10.0 114.447 -168.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.491 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 2.3 mp0 -62.06 158.96 41.27 Favored Pre-proline 0 CA--C 1.549 0.939 0 CA-C-O 117.632 -1.175 . . . . 10.0 110.628 178.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -53.07 2.33 0.04 OUTLIER 'Trans proline' 0 CA--C 1.542 0.904 1 C-N-CA 125.816 4.344 . . . . 10.0 120.229 -174.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.356 0 C-N-CA 127.5 2.32 . . . . 10.0 109.483 169.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.439 ' HA ' ' O ' ' B' ' 51' ' ' SER . 31.6 Cg_exo . . . . . 0 CA--C 1.54 0.805 0 N-CA-C 110.621 -0.569 . . . . 10.0 110.621 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -118.42 -7.36 10.67 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 114.603 -1.18 . . . . 10.0 113.361 -168.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -125.63 -55.86 1.51 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 127.484 2.313 . . . . 10.0 106.529 169.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' B' ' 48' ' ' PRO . 2.1 m -83.95 113.17 20.79 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 104.198 -2.519 . . . . 10.0 104.198 167.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.587 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.3 OUTLIER -90.47 -23.85 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 119.4 1.0 . . . . 10.0 111.044 -170.016 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . 0.426 ' HB3' HD22 ' B' ' 83' ' ' ASN . 13.7 p -100.14 9.04 0.06 OUTLIER Pre-proline 0 CA--C 1.544 0.738 0 N-CA-C 119.491 3.145 . . . . 10.0 119.491 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -63.69 -19.12 66.76 Favored 'Trans proline' 0 C--N 1.353 0.816 0 CA-C-N 125.647 3.052 . . . . 10.0 113.591 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 p -83.31 -48.89 9.93 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.801 1.641 . . . . 10.0 112.119 170.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.24 -31.9 61.88 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.831 1.652 . . . . 10.0 112.565 169.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 39.4 tp -55.73 -25.89 42.66 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.262 1.825 . . . . 10.0 112.033 169.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -90.97 -60.37 1.93 Allowed 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 109.052 -0.722 . . . . 10.0 109.052 169.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.66 -48.32 19.39 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 115.644 1.72 . . . . 10.0 115.644 -168.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 16.6 tp -67.78 -39.8 84.05 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.832 1.196 . . . . 10.0 110.125 177.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.433 HD12 HD22 ' A' ' 16' ' ' LEU . 21.6 tp -55.78 -54.14 48.05 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.432 1.093 . . . . 10.0 110.087 174.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -51.31 -48.15 62.41 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.122 1.769 . . . . 10.0 112.177 170.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . 0.432 HG21 ' HA ' ' B' ' 76' ' ' VAL . 1.0 OUTLIER -62.56 -19.65 63.9 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 127.364 2.265 . . . . 10.0 115.5 -175.719 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.705 HD22 HD13 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -116.1 -18.58 10.58 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 168.831 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -57.17 -41.2 78.79 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 107.067 -1.457 . . . . 10.0 107.067 168.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 8.5 p -74.69 109.79 8.14 Favored Pre-proline 0 CA--C 1.548 0.874 0 N-CA-C 103.495 -2.78 . . . . 10.0 103.495 167.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -59.84 148.01 90.12 Favored 'Trans proline' 0 C--N 1.353 0.805 0 N-CA-C 117.278 1.991 . . . . 10.0 117.278 -167.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.4 p -51.97 -28.13 15.72 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 127.403 2.281 . . . . 10.0 115.573 -169.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 29.9 t -42.06 -65.37 0.52 Allowed Pre-proline 0 CA--C 1.545 0.756 0 C-N-CA 126.613 1.965 . . . . 10.0 113.486 -173.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -84.09 -25.98 2.05 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.179 1.92 . . . . 10.0 111.794 169.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -74.13 35.72 0.09 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.829 2.452 . . . . 10.0 114.638 -171.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -66.87 -179.18 0.85 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 129.124 2.969 . . . . 10.0 115.042 -175.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 0.81 -96.46 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 130.774 3.629 . . . . 10.0 117.411 -176.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -39.58 -60.24 0.99 Allowed 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 126.651 1.98 . . . . 10.0 115.637 -168.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . 0.412 ' NE2' HG23 ' B' ' 63' ' ' THR . 2.9 pp0? -68.55 -32.38 72.28 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 121.088 1.767 . . . . 10.0 114.068 -173.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.432 ' HA ' HG21 ' B' ' 63' ' ' THR . 2.5 t -71.06 -51.6 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 118.405 -1.318 . . . . 10.0 108.117 171.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -53.31 -43.18 67.38 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.584 1.554 . . . . 10.0 110.964 -175.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -58.39 -40.06 81.33 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.563 1.545 . . . . 10.0 113.392 178.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 7.2 mt -90.48 -33.4 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-O 118.869 -0.586 . . . . 10.0 110.2 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mt -44.2 -56.04 4.39 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 128.079 2.552 . . . . 10.0 111.013 170.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -64.5 -15.3 60.6 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.032 1.123 . . . . 10.0 114.032 -175.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 76.6 p -71.03 -26.73 63.23 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.217 1.007 . . . . 10.0 113.619 -175.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . 0.426 HD22 ' HB3' ' B' ' 53' ' ' SER . 43.4 t-20 -114.93 108.79 48.01 Favored Pre-proline 0 N--CA 1.449 -0.515 0 N-CA-C 107.75 -1.204 . . . . 10.0 107.75 169.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -62.49 -33.88 77.44 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 123.419 2.746 . . . . 10.0 111.712 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -65.41 -50.48 65.32 Favored 'General case' 0 C--N 1.346 0.446 0 C-N-CA 124.311 1.044 . . . . 10.0 110.195 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.22 -41.02 98.0 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-O 118.846 -0.597 . . . . 10.0 110.443 175.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 4.2 ttt -60.75 -46.7 89.44 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.917 1.235 . . . . 10.0 111.663 177.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.09 96.1 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.573 -0.705 . . . . 10.0 111.376 175.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.67 -41.27 94.73 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 118.204 -0.903 . . . . 10.0 111.946 175.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -55.17 -57.96 9.62 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 124.885 1.274 . . . . 10.0 110.176 170.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 96.8 mt -52.96 -52.66 26.9 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 118.297 0.499 . . . . 10.0 110.237 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.445 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.0 OUTLIER -59.56 -59.86 4.77 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.634 -0.666 . . . . 10.0 111.968 178.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -71.73 -32.04 67.33 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 117.026 -1.464 . . . . 10.0 112.181 -172.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -59.74 -42.15 92.51 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 122.51 2.414 . . . . 10.0 109.937 169.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.8 m -61.76 -46.93 87.46 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 119.293 -0.384 . . . . 10.0 111.162 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.52 -48.57 74.46 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.199 0.999 . . . . 10.0 112.642 171.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -46.46 62.98 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.308 1.843 . . . . 10.0 110.925 174.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -59.87 -59.51 5.31 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 119.093 0.86 . . . . 10.0 112.159 175.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.46 -22.99 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 119.263 0.938 . . . . 10.0 113.42 -176.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.85 -32.61 16.81 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.529 1.307 . . . . 10.0 114.529 177.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.28 -14.6 5.35 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.617 1.098 . . . . 10.0 113.947 -169.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -142.59 62.97 13.6 Favored Pre-proline 0 N--CA 1.475 0.822 0 CA-C-N 120.344 1.429 . . . . 10.0 111.086 170.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -72.06 27.2 0.26 Allowed 'Trans proline' 0 CA--C 1.55 1.304 0 C-N-CA 125.116 3.877 . . . . 10.0 114.861 -172.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 72.25 -50.99 1.34 Allowed Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.657 1.598 . . . . 10.0 111.789 -169.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 14.5 ptp -70.4 75.83 0.55 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.699 1.6 . . . . 10.0 110.674 169.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.242 0 C-N-CA 126.494 1.917 . . . . 10.0 111.444 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 . . . . . 0 N--CA 1.488 1.438 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.89 18.55 0.41 Allowed Glycine 0 N--CA 1.472 1.038 0 O-C-N 121.252 -0.905 . . . . 10.0 114.34 -175.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 58.69 -10.27 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 128.308 2.643 . . . . 10.0 115.658 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.5 m -94.03 -44.39 8.07 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 129.0 2.92 . . . . 10.0 109.292 -177.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -64.22 -44.12 92.87 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 128.581 2.752 . . . . 10.0 107.66 169.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.412 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 38.0 tp10 -51.23 -54.69 23.27 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 118.132 -0.937 . . . . 10.0 111.191 169.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.75 -45.53 93.96 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.88 1.218 . . . . 10.0 111.81 -173.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.44 -39.4 88.88 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 176.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.474 HD22 ' C ' ' A' ' 9' ' ' LEU 0.407 0.0 OUTLIER -77.55 -32.29 53.78 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.187 0.903 . . . . 10.0 112.391 -179.65 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.0 tp -57.42 -46.87 83.05 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 128.505 2.722 . . . . 10.0 109.411 169.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -56.9 -54.45 46.37 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 124.022 0.929 . . . . 10.0 113.43 173.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -65.62 -26.86 68.01 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.906 1.23 . . . . 10.0 112.864 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.9 tp -77.97 -40.15 40.26 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.462 1.028 . . . . 10.0 111.964 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -73.33 -28.98 62.36 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.6 1.091 . . . . 10.0 111.54 172.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.6 m -60.59 -54.71 42.12 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.718 0.807 . . . . 10.0 110.037 169.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.459 HD22 HD12 ' B' ' 61' ' ' LEU . 7.9 tp -48.19 -51.32 25.73 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.219 1.008 . . . . 10.0 111.34 173.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.443 HD22 ' CE1' ' B' ' 90' ' ' PHE . 7.0 mt -67.69 -17.97 64.76 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.893 1.442 . . . . 10.0 114.893 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 94.7 p -125.11 11.87 8.25 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 120.708 -1.245 . . . . 10.0 113.69 -170.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -49.26 -10.44 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 131.504 3.922 . . . . 10.0 117.888 -173.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.262 40.9 p 120.53 -18.21 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.935 1 C-N-CA 134.414 5.086 . . . . 10.0 113.34 -178.794 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -66.04 152.91 43.61 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 120.977 1.717 . . . . 10.0 112.745 175.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.64 -6.11 1.34 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.568 2.347 . . . . 10.0 113.263 169.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.7 m -52.29 -45.47 65.51 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.947 2.099 . . . . 10.0 115.623 -168.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.61 -19.05 5.07 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 123.71 0.671 . . . . 10.0 112.669 170.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mt -58.5 -26.9 63.95 Favored 'General case' 0 C--O 1.224 -0.269 0 O-C-N 121.414 -1.051 . . . . 10.0 112.657 170.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.81 -40.24 9.44 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.315 1.446 . . . . 10.0 114.184 171.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.63 -54.08 44.92 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.784 1.234 . . . . 10.0 112.659 173.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.418 ' CD1' HG21 ' B' ' 76' ' ' VAL . 5.9 mt -64.47 -35.43 74.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 124.101 0.96 . . . . 10.0 109.433 -177.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -64.03 -53.33 51.56 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 126.011 1.724 . . . . 10.0 110.126 175.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.7 ptt-85 -61.97 -38.18 87.57 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 119.597 1.089 . . . . 10.0 112.489 175.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.99 -19.87 63.27 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.514 1.126 . . . . 10.0 113.895 177.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.8 mt -111.91 14.86 20.94 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.039 1.335 . . . . 10.0 112.675 171.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.76 17.57 60.66 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.76 1.172 . . . . 10.0 114.585 177.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.417 HG23 HG23 ' B' ' 95' ' ' THR 0.307 19.9 mt -51.98 -50.73 76.72 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 119.048 1.424 . . . . 10.0 112.846 -170.445 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -54.74 -27.46 52.25 Favored 'Trans proline' 0 CA--C 1.552 1.421 0 C-N-CA 123.838 3.025 . . . . 10.0 116.47 170.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.09 -40.78 26.88 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.408 1.004 . . . . 10.0 110.568 172.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.6 mt -59.76 -32.95 71.05 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.297 -0.877 . . . . 10.0 112.818 170.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.2 t -60.38 -57.51 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 127.021 2.128 . . . . 10.0 110.705 169.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -53.3 -40.43 64.75 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.052 0.941 . . . . 10.0 111.519 170.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . 2.284 13.3 pt20 -56.62 -20.12 19.55 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 129.106 2.962 . . . . 10.0 115.171 172.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.78 4.09 84.82 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.583 1.087 . . . . 10.0 115.187 -172.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -76.27 77.48 3.05 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 118.897 1.349 . . . . 10.0 110.529 -175.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -139.43 3.03 2.09 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 116.703 2.112 . . . . 10.0 116.703 -169.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -141.99 -17.07 0.76 Allowed 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 116.262 1.949 . . . . 10.0 116.262 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -78.12 167.67 33.81 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 125.843 1.657 . . . . 10.0 111.008 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -58.49 -10.27 8.58 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.728 2.952 . . . . 10.0 117.615 170.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.256 1.407 0 C-N-CA 126.421 1.888 . . . . 10.0 109.11 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.482 ' HA ' ' O ' ' B' ' 51' ' ' SER . 13.9 Cg_exo . . . . . 0 N--CA 1.482 0.814 0 N-CA-C 112.863 0.293 . . . . 10.0 112.863 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -144.23 -58.65 0.38 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.033 1.333 . . . . 10.0 112.66 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -78.0 -28.04 49.13 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.152 0.581 . . . . 10.0 110.256 169.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.482 ' O ' ' HA ' ' B' ' 48' ' ' PRO . 4.8 m -118.15 109.09 15.98 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 106.636 -1.616 . . . . 10.0 106.636 169.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -90.02 -7.56 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 C-N-CA 125.235 1.414 . . . . 10.0 112.76 177.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 42.5 p -112.61 11.23 0.08 OUTLIER Pre-proline 0 CA--C 1.549 0.938 0 N-CA-C 117.941 2.571 . . . . 10.0 117.941 174.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -63.77 -18.95 66.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 CA-C-N 124.335 2.584 . . . . 10.0 114.16 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 31.6 p -84.88 -51.35 6.8 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.816 1.646 . . . . 10.0 112.004 169.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.92 -25.03 18.35 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.882 1.673 . . . . 10.0 112.747 172.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 58.7 tp -55.14 -32.94 62.48 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.87 2.068 . . . . 10.0 112.542 169.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -90.4 -56.0 3.38 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.728 -0.842 . . . . 10.0 108.728 168.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.56 -60.42 2.43 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 115.013 1.486 . . . . 10.0 115.013 -169.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 tp -69.46 -32.0 70.65 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.589 0.631 . . . . 10.0 110.121 -175.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.459 HD12 HD22 ' A' ' 16' ' ' LEU . 23.1 tp -58.59 -57.63 12.14 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 117.439 -1.267 . . . . 10.0 110.652 169.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 27.7 ptt-85 -61.65 -36.86 82.01 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 121.07 1.759 . . . . 10.0 112.647 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . 0.425 HG21 ' HA ' ' B' ' 76' ' ' VAL . 1.0 OUTLIER -60.49 -20.44 60.06 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.219 2.208 . . . . 10.0 115.049 179.405 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.43 ' CD2' ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -119.57 -16.98 8.79 Favored 'General case' 0 C--N 1.345 0.405 0 N-CA-C 114.432 1.271 . . . . 10.0 114.432 171.597 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -31.09 72.15 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-O 118.054 -0.974 . . . . 10.0 109.306 167.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 5.4 p -77.61 130.88 72.5 Favored Pre-proline 0 CA--C 1.542 0.657 0 N-CA-C 104.042 -2.577 . . . . 10.0 104.042 167.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.31 152.66 61.32 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 N-CA-C 116.487 1.687 . . . . 10.0 116.487 -167.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 2.5 m -52.05 -21.8 3.5 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 128.656 2.782 . . . . 10.0 115.735 -170.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 29.7 t -47.82 -72.12 0.15 Allowed Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.498 1.519 . . . . 10.0 113.277 -176.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -78.87 -28.05 4.3 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 CA-C-N 121.802 1.679 . . . . 10.0 110.705 168.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -68.79 -7.06 30.63 Favored 'General case' 0 C--N 1.343 0.299 0 N-CA-C 115.054 1.501 . . . . 10.0 115.054 -171.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -22.75 3.91 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 127.103 2.161 . . . . 10.0 113.451 169.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -64.1 171.03 3.18 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 115.772 1.768 . . . . 10.0 115.772 -176.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -47.24 -24.2 0.68 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 127.906 2.482 . . . . 10.0 113.875 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -53.41 -37.6 62.68 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 117.522 -1.228 . . . . 10.0 114.165 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.425 ' HA ' HG21 ' B' ' 63' ' ' THR . 2.6 t -66.81 -52.31 46.24 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.563 0 CA-C-N 119.399 1.0 . . . . 10.0 108.83 175.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.414 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 1.2 tt -60.14 -37.62 80.63 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 124.309 1.006 . . . . 10.0 110.672 -173.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -62.88 -32.08 73.26 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.15 1.78 . . . . 10.0 113.618 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.0 mt -88.03 -44.47 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 CA-C-N 119.492 1.042 . . . . 10.0 109.401 173.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.414 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 7.8 mt -40.54 -60.3 1.15 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 127.515 2.326 . . . . 10.0 112.709 174.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -10.17 26.2 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.681 1.363 . . . . 10.0 114.681 -170.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 54.4 p -80.91 -19.45 44.28 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.212 1.405 . . . . 10.0 114.546 177.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -114.96 104.02 54.33 Favored Pre-proline 0 N--CA 1.468 0.473 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 169.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -58.35 -42.82 51.96 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 122.259 1.972 . . . . 10.0 112.509 -174.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -71.02 -42.05 70.06 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 117.698 -1.144 . . . . 10.0 111.867 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.38 -43.26 99.17 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.252 0.933 . . . . 10.0 109.387 170.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 6.0 ttt -60.58 -46.8 88.86 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.867 1.212 . . . . 10.0 112.555 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.01 99.47 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.809 -0.557 . . . . 10.0 112.054 172.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.56 -35.48 81.1 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.397 0.679 . . . . 10.0 112.764 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.443 ' CE1' HD22 ' A' ' 17' ' ' LEU . 50.0 t80 -60.05 -60.79 3.26 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 125.044 1.337 . . . . 10.0 108.844 170.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 82.0 mt -47.07 -55.04 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.491 1.116 . . . . 10.0 110.698 177.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -53.68 45.66 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 114.327 1.232 . . . . 10.0 114.327 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -32.48 73.38 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 119.951 1.25 . . . . 10.0 110.272 -177.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -64.3 -48.24 76.43 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 120.645 1.566 . . . . 10.0 111.104 171.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . 0.417 HG23 HG23 ' A' ' 34' ' ' ILE . 75.1 p -60.5 -42.52 96.51 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.681 1.128 . . . . 10.0 111.289 175.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.14 -51.95 66.12 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.768 1.227 . . . . 10.0 112.027 171.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -46.36 -50.46 16.41 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.742 2.017 . . . . 10.0 110.84 170.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -62.59 -65.1 0.74 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.083 -0.96 . . . . 10.0 111.146 174.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 20.1 m -58.2 -27.63 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 120.836 1.653 . . . . 10.0 114.232 -170.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.13 -49.91 6.3 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.525 1.676 . . . . 10.0 115.525 173.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -103.33 -24.02 13.53 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 114.31 1.226 . . . . 10.0 114.31 -169.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -143.71 74.27 16.73 Favored Pre-proline 0 N--CA 1.472 0.64 0 C-N-CA 124.788 1.235 . . . . 10.0 110.862 172.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -68.29 -5.96 16.23 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 121.998 1.799 . . . . 10.0 114.943 -170.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.97 -30.75 5.57 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 124.791 1.186 . . . . 10.0 112.484 174.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -13.87 59.79 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.556 1.178 . . . . 10.0 111.038 169.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.255 1.345 1 C-N-CA 133.26 4.624 . . . . 10.0 106.682 179.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -153.49 16.56 0.66 Allowed Glycine 0 C--N 1.341 0.827 0 CA-C-O 118.471 -1.183 . . . . 10.0 113.413 170.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 64.92 -42.86 0.32 Allowed 'General case' 0 C--N 1.352 0.69 0 C-N-CA 127.514 2.326 . . . . 10.0 113.709 -171.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.4 t -68.9 -15.01 63.38 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.303 1.223 . . . . 10.0 114.303 173.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -87.89 -39.23 14.96 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.606 1.162 . . . . 10.0 111.837 172.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -47.6 -47.67 28.67 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 126.669 1.988 . . . . 10.0 111.541 -173.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -40.44 96.16 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.731 1.151 . . . . 10.0 112.837 -178.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.53 -40.89 76.62 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.5 0.72 . . . . 10.0 112.093 174.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.3 mt -60.48 -51.08 71.0 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.153 0.433 . . . . 10.0 110.774 173.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.3 tp -54.61 -43.36 72.13 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 128.711 2.804 . . . . 10.0 110.448 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -60.26 -53.49 57.09 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.058 0.943 . . . . 10.0 113.102 172.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -64.29 -34.11 77.37 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.826 1.194 . . . . 10.0 111.996 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.49 -53.58 45.9 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 118.114 -0.946 . . . . 10.0 110.882 175.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -68.17 -23.83 64.9 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 120.286 1.403 . . . . 10.0 112.3 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.6 m -64.61 -57.05 10.16 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 118.329 -0.843 . . . . 10.0 109.781 169.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tp -47.54 -53.93 13.08 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.797 0.726 . . . . 10.0 110.8 172.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.624 HD12 HD22 ' B' ' 64' ' ' LEU . 1.5 tp -70.17 0.13 6.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 126.099 1.759 . . . . 10.0 115.196 -177.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.2 p -143.33 9.2 1.63 Allowed 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 115.306 1.595 . . . . 10.0 115.306 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -41.38 -11.4 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.072 1 C-N-CA 133.739 4.816 . . . . 10.0 119.719 -170.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.7 p 117.29 -29.61 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.31 1 C-N-CA 133.058 4.543 . . . . 10.0 113.441 -178.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.79 -49.86 69.91 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 120.623 1.556 . . . . 10.0 113.462 -170.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 55.57 -19.26 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 128.479 2.712 . . . . 10.0 116.756 -174.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.1 p -39.53 -59.5 1.1 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 129.571 3.148 . . . . 10.0 115.575 -168.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.05 -20.23 16.81 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 123.957 0.789 . . . . 10.0 114.108 174.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mp -59.44 -27.76 66.36 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 117.285 0.542 . . . . 10.0 110.89 172.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -40.68 -59.05 1.47 Allowed 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 127.406 2.283 . . . . 10.0 113.512 172.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -50.81 -48.71 59.6 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.465 1.029 . . . . 10.0 112.441 174.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.1 mm -60.44 -43.7 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 124.975 1.31 . . . . 10.0 110.078 177.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -62.24 -46.05 90.57 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.211 1.404 . . . . 10.0 112.019 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -69.59 -34.82 74.66 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 119.243 0.929 . . . . 10.0 111.279 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.91 -19.94 33.51 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.654 0.983 . . . . 10.0 113.654 169.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.445 HD21 ' HE1' ' B' ' 87' ' ' MET . 31.9 mt -108.56 9.04 27.44 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.11 2.164 . . . . 10.0 112.556 171.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 65.97 15.47 62.69 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 125.796 1.665 . . . . 10.0 114.484 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . 0.279 67.6 mt -54.59 -58.62 13.34 Favored Pre-proline 0 CA--C 1.548 0.883 0 CA-C-N 119.882 1.841 . . . . 10.0 113.012 -171.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -55.42 -33.86 87.19 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 122.485 2.124 . . . . 10.0 113.88 174.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 mp0 -70.77 -42.01 70.97 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.982 1.313 . . . . 10.0 111.56 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.57 -33.04 74.98 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.538 1.935 . . . . 10.0 111.849 170.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.7 t -64.9 -52.16 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.754 1.222 . . . . 10.0 110.609 169.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -56.77 -39.49 74.13 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.889 1.222 . . . . 10.0 113.125 175.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -20.47 66.35 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.349 1.459 . . . . 10.0 113.788 171.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.04 -5.89 69.38 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.729 1.633 . . . . 10.0 113.799 -173.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -53.37 -35.53 60.39 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.185 1.794 . . . . 10.0 111.384 177.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.11 -31.45 0.57 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.624 1.97 . . . . 10.0 115.212 170.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.7 mt -76.52 -8.89 58.12 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.33 1.052 . . . . 10.0 113.683 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -67.51 163.23 49.61 Favored Pre-proline 0 CA--C 1.551 1.005 0 CA-C-N 119.362 0.983 . . . . 10.0 111.543 169.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.96 -9.49 26.15 Favored 'Trans proline' 0 CA--C 1.549 1.274 0 C-N-CA 122.905 2.403 . . . . 10.0 111.875 168.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.268 2.043 0 C-N-CA 129.668 3.187 . . . . 10.0 110.232 176.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.477 ' HA ' ' O ' ' B' ' 51' ' ' SER . 23.8 Cg_exo . . . . . 0 CA--C 1.548 1.187 0 N-CA-C 114.752 1.02 . . . . 10.0 114.752 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -149.12 -52.27 0.16 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.803 1.241 . . . . 10.0 112.589 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -76.13 -31.24 58.51 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.168 0.587 . . . . 10.0 111.156 170.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.477 ' O ' ' HA ' ' B' ' 48' ' ' PRO . 6.3 m -128.79 112.43 14.16 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 103.767 -2.679 . . . . 10.0 103.767 169.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.521 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.1 OUTLIER -89.88 -8.8 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 118.531 0.605 . . . . 10.0 111.079 -176.516 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 88.7 p -92.19 -3.56 0.1 OUTLIER Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 119.776 3.25 . . . . 10.0 119.776 175.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -67.38 -20.3 48.6 Favored 'Trans proline' 0 C--N 1.354 0.86 0 CA-C-N 125.48 2.993 . . . . 10.0 112.731 -174.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 73.3 p -90.14 -36.53 14.77 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 118.902 0.774 . . . . 10.0 112.206 168.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.07 -28.79 69.33 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.52 1.055 . . . . 10.0 111.746 170.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.44 -25.28 65.86 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 128.089 2.555 . . . . 10.0 113.15 169.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -89.7 -60.44 1.94 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 121.988 0.899 . . . . 10.0 109.658 169.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.71 -37.46 19.36 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 118.759 2.874 . . . . 10.0 118.759 -166.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.44 -34.84 31.24 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.693 0.679 . . . . 10.0 109.422 175.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.75 -59.41 5.07 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.494 1.118 . . . . 10.0 110.615 170.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 37.8 ptt85 -59.43 -33.22 70.99 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-N 120.448 1.476 . . . . 10.0 112.139 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 13.7 m -65.05 -22.38 66.97 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.815 1.646 . . . . 10.0 114.781 178.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.624 HD22 HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -118.42 -12.51 9.85 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.993 1.27 . . . . 10.0 113.67 172.384 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -65.89 -38.03 87.69 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 106.721 -1.585 . . . . 10.0 106.721 167.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 11.6 p -72.88 136.81 79.8 Favored Pre-proline 0 CA--C 1.551 0.989 0 N-CA-C 104.973 -2.232 . . . . 10.0 104.973 167.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -74.71 152.36 42.24 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 N-CA-C 115.928 1.472 . . . . 10.0 115.928 -168.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 8.9 m -51.85 -2.2 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 129.912 3.285 . . . . 10.0 116.542 -176.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.3 t -71.89 -74.86 0.13 Allowed Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 120.19 1.359 . . . . 10.0 110.539 177.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -67.87 -28.72 35.84 Favored 'Trans proline' 0 C--N 1.352 0.738 0 CA-C-N 121.611 1.611 . . . . 10.0 111.534 169.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -74.48 -0.02 16.17 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.094 1.146 . . . . 10.0 114.094 -177.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -51.03 -35.05 32.29 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.65 1.58 . . . . 10.0 112.47 169.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -69.71 162.68 27.27 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.907 1.283 . . . . 10.0 112.738 -170.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -52.8 -2.55 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 128.637 2.775 . . . . 10.0 115.957 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.53 -24.09 66.39 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 120.67 1.577 . . . . 10.0 112.805 172.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.61 -52.69 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 107.825 -1.176 . . . . 10.0 107.825 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.32 -41.52 84.72 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.873 1.269 . . . . 10.0 110.858 -173.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -60.18 -31.98 70.63 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.262 1.025 . . . . 10.0 113.616 175.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 62.9 mt -89.87 -42.32 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 119.743 1.156 . . . . 10.0 110.394 176.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 mt -40.35 -52.51 2.69 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.808 2.443 . . . . 10.0 112.225 172.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -56.93 -19.91 20.56 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.02 1.118 . . . . 10.0 114.02 -177.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 84.8 p -78.73 -16.84 56.74 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.805 1.409 . . . . 10.0 114.805 -177.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -122.03 102.79 40.32 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 108.141 -1.059 . . . . 10.0 108.141 171.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -59.93 -37.63 84.22 Favored 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 123.443 2.762 . . . . 10.0 112.944 -176.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -64.62 -48.32 75.33 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.307 1.043 . . . . 10.0 110.147 176.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -40.36 95.39 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.424 1.089 . . . . 10.0 110.09 177.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' MET . . . . . 0.445 ' HE1' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -58.65 -51.52 69.6 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.074 0.95 . . . . 10.0 112.099 173.718 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.94 96.52 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 119.19 -0.433 . . . . 10.0 111.704 175.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.61 -36.77 83.84 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 123.652 0.781 . . . . 10.0 112.173 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -62.17 -60.56 3.42 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.778 1.231 . . . . 10.0 108.601 169.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 82.7 mt -48.03 -43.99 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 120.602 1.546 . . . . 10.0 111.966 176.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -67.94 -60.25 2.65 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 113.752 1.019 . . . . 10.0 113.752 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -24.89 66.16 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.937 1.244 . . . . 10.0 111.902 -175.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -71.18 -51.2 26.17 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.135 1.374 . . . . 10.0 112.269 169.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 14.9 p -54.09 -44.43 71.2 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.615 0.643 . . . . 10.0 111.307 172.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.52 -53.28 59.37 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.303 1.841 . . . . 10.0 113.295 173.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -43.34 -52.04 6.05 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.872 1.669 . . . . 10.0 110.612 171.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -63.89 -61.33 2.35 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 117.036 -1.459 . . . . 10.0 111.966 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 32.5 m -55.79 -29.83 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 120.926 1.694 . . . . 10.0 113.765 -174.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.08 -26.18 20.38 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 116.526 2.047 . . . . 10.0 116.526 178.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -133.9 -23.7 1.75 Allowed 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 115.07 1.507 . . . . 10.0 115.07 -171.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -146.83 74.37 12.23 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 125.804 1.641 . . . . 10.0 107.065 175.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -72.27 72.72 2.79 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 124.062 3.175 . . . . 10.0 114.769 -168.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 58.83 17.95 37.48 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 126.35 1.929 . . . . 10.0 116.135 169.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -13.02 2.98 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.581 1.952 . . . . 10.0 115.687 -171.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 . . . . . 0 C--O 1.251 1.182 0 C-N-CA 127.459 2.303 . . . . 10.0 108.619 170.518 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.482 ' H2 ' ' CG ' ' A' ' 5' ' ' ASP . 1.7 tp10 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 118.322 -0.847 . . . . 10.0 113.039 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.55 1.71 81.33 Favored Glycine 0 CA--C 1.538 1.488 0 CA-C-N 119.855 1.207 . . . . 10.0 113.309 169.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 63.39 -28.95 0.09 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 130.507 3.523 . . . . 10.0 113.932 -175.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.1 m -63.39 -24.0 67.65 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.59 1.556 . . . . 10.0 110.582 167.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.482 ' CG ' ' H2 ' ' A' ' 1' ' ' GLU . 4.5 p30 -83.76 -46.8 11.84 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 126.852 2.061 . . . . 10.0 109.463 175.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.429 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 30.7 tp10 -48.69 -54.59 14.2 Favored 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 125.403 1.481 . . . . 10.0 111.005 170.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -46.05 91.93 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.137 0.881 . . . . 10.0 112.445 -174.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.77 -38.09 85.9 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 118.357 -0.83 . . . . 10.0 112.28 175.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.516 HD22 ' C ' ' A' ' 9' ' ' LEU 0.405 0.0 OUTLIER -76.88 -34.85 57.75 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.675 1.125 . . . . 10.0 111.612 -179.731 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.5 tp -54.52 -46.69 73.58 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 128.063 2.545 . . . . 10.0 109.474 169.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -56.44 -56.53 20.08 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 113.87 1.063 . . . . 10.0 113.87 173.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.403 ' HG3' ' HA ' ' A' ' 9' ' ' LEU . 2.7 pp0? -65.33 -24.72 67.34 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.695 0.998 . . . . 10.0 113.695 177.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.4 tp -79.74 -41.32 26.91 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.064 0.847 . . . . 10.0 112.075 178.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -70.09 -29.45 66.43 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.271 1.396 . . . . 10.0 111.451 171.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.9 m -60.81 -55.71 29.87 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.226 1.011 . . . . 10.0 110.652 169.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.458 HD22 HD12 ' B' ' 61' ' ' LEU . 6.5 tp -48.32 -51.59 25.38 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 123.991 0.916 . . . . 10.0 110.755 174.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.533 HD22 ' CE1' ' B' ' 90' ' ' PHE . 10.7 mt -65.24 -18.42 65.3 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 115.173 1.545 . . . . 10.0 115.173 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 m -126.17 14.88 7.84 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.391 0.996 . . . . 10.0 112.86 -169.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -56.05 -7.84 0.39 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 130.742 3.617 . . . . 10.0 116.576 -169.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.1 p 115.94 -17.92 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.25 1 C-N-CA 134.443 5.097 . . . . 10.0 112.585 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -63.42 153.97 33.6 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-O 123.13 1.443 . . . . 10.0 113.199 171.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.51 1.28 1.04 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.773 2.029 . . . . 10.0 113.12 169.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 m -47.08 -59.94 2.8 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 115.898 1.814 . . . . 10.0 115.898 -168.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.77 -14.26 14.38 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 123.221 0.439 . . . . 10.0 112.374 169.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.0 mt -57.42 -26.67 61.49 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 117.9 -1.048 . . . . 10.0 112.404 169.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -46.79 -37.34 8.45 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 117.954 -1.022 . . . . 10.0 111.874 169.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.1 -53.42 55.71 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 119.539 1.063 . . . . 10.0 112.749 175.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.9 mm -69.26 -29.56 42.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 N-CA-C 108.514 -0.921 . . . . 10.0 108.514 -174.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.59 -53.31 29.2 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.77 1.228 . . . . 10.0 110.997 171.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.6 ptt85 -63.18 -37.19 86.26 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.046 1.293 . . . . 10.0 112.528 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.13 -20.02 37.15 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.835 1.254 . . . . 10.0 113.463 172.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.1 mt -117.94 12.85 13.86 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.783 1.633 . . . . 10.0 111.821 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.99 9.14 52.88 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.579 1.561 . . . . 10.0 115.985 176.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.2 mt -50.84 -45.8 87.06 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-O 117.224 -1.37 . . . . 10.0 113.924 -169.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -58.13 -21.19 49.96 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 122.924 2.416 . . . . 10.0 114.847 175.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -90.62 -32.15 16.37 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.206 0.912 . . . . 10.0 111.806 169.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.6 mt -60.65 -28.14 68.34 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.867 1.212 . . . . 10.0 112.126 170.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.6 t -59.25 -56.61 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 126.431 1.892 . . . . 10.0 109.964 168.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -58.2 -37.16 74.25 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.473 0.709 . . . . 10.0 110.882 174.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . 2.331 26.9 pt20 -53.2 -19.75 3.36 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 130.033 3.333 . . . . 10.0 114.39 169.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.8 11.33 60.27 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 125.868 1.699 . . . . 10.0 114.103 -172.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -62.58 -16.89 58.64 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 115.08 1.511 . . . . 10.0 115.08 -169.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.15 74.72 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 120.992 -1.068 . . . . 10.0 113.278 169.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.84 -23.37 36.47 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.073 1.349 . . . . 10.0 114.241 -170.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -72.3 160.64 82.21 Favored Pre-proline 0 CA--C 1.547 0.848 0 N-CA-C 114.122 1.156 . . . . 10.0 114.122 -174.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.72 -9.76 27.13 Favored 'Trans proline' 0 CA--C 1.543 0.957 0 C-N-CA 123.874 3.049 . . . . 10.0 113.648 175.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.933 0 C-N-CA 127.258 2.223 . . . . 10.0 107.248 169.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . 0.277 46.6 Cg_exo . . . . . 0 CA--C 1.54 0.802 0 N-CA-C 114.674 0.99 . . . . 10.0 114.674 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . 0.288 0.0 OUTLIER -130.61 -14.09 3.69 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.105 0.779 . . . . 10.0 113.105 169.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 4.6 mtm-85 -92.29 -30.99 15.56 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.496 1.118 . . . . 10.0 108.853 168.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 86.6 p -118.2 110.3 17.41 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 130.033 3.333 . . . . 10.0 106.323 168.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.446 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.1 OUTLIER -90.59 -5.07 10.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 124.35 1.06 . . . . 10.0 112.366 179.519 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . 0.404 ' HB3' HD22 ' B' ' 83' ' ' ASN . 71.9 p -116.54 12.18 0.07 OUTLIER Pre-proline 0 N--CA 1.478 0.934 0 N-CA-C 118.25 2.685 . . . . 10.0 118.25 176.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -65.31 -19.91 61.93 Favored 'Trans proline' 0 CA--C 1.548 1.18 0 CA-C-N 125.47 2.989 . . . . 10.0 112.777 175.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.5 p -80.1 -55.03 5.23 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 127.004 2.122 . . . . 10.0 110.91 169.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.81 -26.09 61.49 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.544 1.538 . . . . 10.0 113.616 173.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.06 -30.49 66.22 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 127.657 2.383 . . . . 10.0 112.093 169.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -90.67 -60.11 2.0 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.409 0.684 . . . . 10.0 109.251 169.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . 0.46 ' CG ' HH21 ' B' ' 62' ' ' ARG . 0.9 OUTLIER -80.09 -40.72 26.98 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 117.194 2.294 . . . . 10.0 117.194 -168.476 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 tt -74.95 -38.74 61.65 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.0 -1.111 . . . . 10.0 108.0 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.458 HD12 HD22 ' A' ' 16' ' ' LEU . 27.9 tp -53.74 -53.92 45.39 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 124.526 1.131 . . . . 10.0 109.959 169.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.46 HH21 ' CG ' ' B' ' 59' ' ' ASP . 16.3 ttp85 -52.57 -48.67 66.05 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.993 1.717 . . . . 10.0 112.126 171.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . 0.492 HG23 ' NE2' ' B' ' 75' ' ' GLN . 1.0 OUTLIER -58.98 -20.95 57.46 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 127.395 2.278 . . . . 10.0 115.41 -178.739 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.442 ' CD2' ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -117.14 -20.34 9.31 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.686 1.365 . . . . 10.0 114.686 171.392 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -58.4 -39.1 78.78 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 107.337 -1.357 . . . . 10.0 107.337 167.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 6.3 p -73.63 108.76 5.25 Favored Pre-proline 0 CA--C 1.55 0.966 0 N-CA-C 102.491 -3.152 . . . . 10.0 102.491 166.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.86 148.06 69.3 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 122.43 2.087 . . . . 10.0 117.266 -167.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 10.3 p -55.81 -26.33 45.85 Favored 'General case' 0 C--O 1.219 -0.543 0 C-N-CA 125.039 1.336 . . . . 10.0 113.724 -173.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 40.5 t -49.7 -67.88 0.4 Allowed Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.058 1.343 . . . . 10.0 112.703 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.99 -23.18 25.49 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 CA-C-N 121.714 1.648 . . . . 10.0 112.869 169.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -90.17 15.04 11.01 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.937 1.829 . . . . 10.0 115.937 -171.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -46.56 -27.29 1.08 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 128.739 2.815 . . . . 10.0 115.643 175.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -64.27 165.31 9.68 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 122.961 1.362 . . . . 10.0 112.942 -175.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -55.54 -1.65 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.292 2.237 . . . . 10.0 115.193 173.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . 0.492 ' NE2' HG23 ' B' ' 63' ' ' THR . 2.3 pp0? -55.26 -31.82 61.85 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 120.059 1.299 . . . . 10.0 114.193 172.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.479 ' HA ' HG21 ' B' ' 63' ' ' THR . 2.5 t -68.53 -51.11 49.95 Favored 'Isoleucine or valine' 0 C--N 1.348 0.5 0 N-CA-C 107.8 -1.185 . . . . 10.0 107.8 173.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.418 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 0.8 OUTLIER -60.06 -37.97 81.44 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.995 0.918 . . . . 10.0 110.504 -173.057 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -64.07 -28.38 69.74 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 124.896 1.278 . . . . 10.0 114.05 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.3 mt -90.5 -43.33 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 119.986 1.266 . . . . 10.0 110.056 172.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.418 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 6.0 mt -40.29 -56.74 1.9 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.924 2.49 . . . . 10.0 112.674 173.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -13.22 21.78 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.491 1.293 . . . . 10.0 114.491 -172.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 83.3 p -76.78 -21.52 55.05 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.205 1.187 . . . . 10.0 114.205 175.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . 0.404 HD22 ' HB3' ' B' ' 53' ' ' SER . 37.4 t-20 -117.2 100.87 53.26 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 119.61 1.095 . . . . 10.0 109.816 173.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -57.61 -40.61 78.8 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.491 2.794 . . . . 10.0 113.291 -175.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -74.04 -38.38 64.01 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 118.116 -0.945 . . . . 10.0 112.335 -178.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.05 -36.96 86.0 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 124.293 1.037 . . . . 10.0 109.473 170.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -51.51 69.22 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 119.722 1.146 . . . . 10.0 112.703 172.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.51 97.7 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.624 0.647 . . . . 10.0 112.26 175.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.71 87.79 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 118.224 -0.893 . . . . 10.0 112.688 175.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.533 ' CE1' HD22 ' A' ' 17' ' ' LEU . 65.6 t80 -57.29 -60.96 2.84 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 125.239 1.416 . . . . 10.0 108.418 169.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 91.8 mt -51.15 -51.12 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 118.733 0.697 . . . . 10.0 110.952 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -61.0 -60.1 4.32 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 124.142 0.977 . . . . 10.0 112.4 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -32.45 72.99 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 117.163 -1.399 . . . . 10.0 110.383 -174.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -60.82 -48.08 83.41 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 121.864 2.12 . . . . 10.0 110.471 169.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 3.1 m -58.31 -45.8 87.33 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.248 0.476 . . . . 10.0 111.591 176.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.82 92.15 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.763 1.225 . . . . 10.0 112.716 173.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -47.67 65.65 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 125.189 1.396 . . . . 10.0 110.11 173.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -58.14 -60.43 3.76 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 118.613 0.642 . . . . 10.0 111.62 176.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 32.8 m -63.22 -20.04 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 119.671 1.123 . . . . 10.0 113.647 -175.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.25 -7.94 52.22 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 115.864 1.802 . . . . 10.0 115.864 172.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -139.61 -28.62 0.76 Allowed 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -169.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -137.47 72.9 50.18 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 128.966 2.907 . . . . 10.0 108.315 169.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -68.18 1.34 3.55 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 124.024 3.149 . . . . 10.0 115.216 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.83 -45.95 1.95 Allowed Glycine 0 N--CA 1.471 1.006 0 O-C-N 120.331 -1.48 . . . . 10.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 27.9 ptm -71.78 -11.66 60.92 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.409 0.684 . . . . 10.0 111.768 168.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.256 1.421 0 C-N-CA 131.279 3.831 . . . . 10.0 107.693 171.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 118.845 -0.598 . . . . 10.0 112.377 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.7 52.36 1.22 Allowed Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.923 1.249 . . . . 10.0 114.385 176.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 45.18 -15.8 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.011 1 C-N-CA 134.519 5.127 . . . . 10.0 119.68 178.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.5 m -60.12 -39.04 84.85 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 128.798 2.839 . . . . 10.0 109.993 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -84.15 -36.11 23.11 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 126.222 1.809 . . . . 10.0 112.593 169.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.416 ' CD ' HH21 ' B' ' 50' ' ' ARG . 43.0 tt0 -52.32 -54.67 28.67 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 119.448 1.022 . . . . 10.0 111.82 -175.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -67.05 -48.0 69.61 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 118.913 -1.115 . . . . 10.0 110.349 -170.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.76 95.76 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 118.459 -0.782 . . . . 10.0 112.767 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.402 HD22 ' C ' ' A' ' 9' ' ' LEU 0.35 0.0 OUTLIER -77.08 -32.6 56.8 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.803 1.183 . . . . 10.0 110.696 -179.482 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 tp -61.55 -47.73 84.21 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 119.602 1.092 . . . . 10.0 111.04 169.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.414 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 42.5 m-20 -57.68 -52.34 65.82 Favored 'General case' 0 C--O 1.241 0.605 0 N-CA-C 112.894 0.701 . . . . 10.0 112.894 173.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -29.17 68.21 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 118.947 0.794 . . . . 10.0 113.073 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -74.29 -46.35 41.82 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 117.041 -1.457 . . . . 10.0 110.956 174.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.414 ' CD2' ' HA ' ' A' ' 11' ' ' ASP . 3.4 p80 -67.43 -28.51 67.95 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 121.459 1.936 . . . . 10.0 111.376 178.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.8 m -60.38 -57.54 12.34 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.953 0.901 . . . . 10.0 109.642 169.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 tp -50.27 -55.28 16.05 Favored 'General case' 0 C--O 1.23 0.062 0 CA-C-N 118.636 0.653 . . . . 10.0 111.533 173.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.5 HD12 ' HG ' ' B' ' 64' ' ' LEU . 4.5 tp -67.78 -10.53 53.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.261 1.424 . . . . 10.0 112.807 -172.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.6 p -133.65 6.58 3.76 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 116.086 1.884 . . . . 10.0 116.086 -177.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.7 p30 -39.73 0.92 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.071 1 C-N-CA 135.655 5.582 . . . . 10.0 121.221 -168.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.0 p 116.7 -25.7 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.295 1 C-N-CA 132.668 4.387 . . . . 10.0 112.367 176.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.47 161.13 12.33 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 123.623 1.678 . . . . 10.0 112.995 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.24 -9.58 1.13 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 127.08 2.152 . . . . 10.0 112.749 169.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.8 m -51.21 -43.47 61.42 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 126.158 1.783 . . . . 10.0 115.336 -169.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.93 -18.67 3.83 Favored Glycine 0 CA--C 1.536 1.348 0 CA-C-O 119.252 -0.749 . . . . 10.0 113.189 169.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.43 -27.04 67.18 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.276 1.038 . . . . 10.0 112.761 169.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -40.6 -54.34 2.56 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.164 1.786 . . . . 10.0 113.711 170.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.411 ' HA ' ' HG2' ' A' ' 30' ' ' ARG . 5.0 tt0 -62.66 -42.31 99.54 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 126.173 1.789 . . . . 10.0 112.648 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.5 mm -63.99 -41.36 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 118.101 0.409 . . . . 10.0 110.928 170.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -64.43 -48.8 73.98 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.094 0.958 . . . . 10.0 110.918 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.411 ' HG2' ' HA ' ' A' ' 27' ' ' GLU . 11.4 ptt85 -66.0 -34.6 78.47 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 117.952 -1.023 . . . . 10.0 112.928 176.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.57 -19.94 42.54 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.532 1.06 . . . . 10.0 112.942 170.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.8 mt -117.15 14.2 14.85 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.247 1.819 . . . . 10.0 112.049 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.38 13.43 43.81 Favored Glycine 0 CA--C 1.535 1.321 0 N-CA-C 115.858 1.103 . . . . 10.0 115.858 177.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.7 mt -58.53 -41.13 87.46 Favored Pre-proline 0 N--CA 1.475 0.785 0 CA-C-N 119.258 1.529 . . . . 10.0 113.536 -169.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -58.83 -26.94 82.46 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.524 2.149 . . . . 10.0 114.77 169.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -44.18 34.14 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.013 -1.054 . . . . 10.0 110.622 169.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.428 ' HB3' ' HE2' ' A' ' 47' ' ' LYS . 83.1 mt -51.32 -33.65 30.09 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.721 0.691 . . . . 10.0 112.151 170.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.92 -60.55 2.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 123.515 0.726 . . . . 10.0 110.474 169.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -54.03 -42.58 69.3 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.716 1.606 . . . . 10.0 114.527 -175.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -65.0 -20.31 66.44 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 115.245 1.572 . . . . 10.0 115.245 -176.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.83 -93.1 0.09 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 109.747 -1.341 . . . . 10.0 109.747 175.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -162.63 -128.26 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.321 1.849 . . . . 10.0 108.235 168.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.428 ' HB3' HG21 ' B' ' 99' ' ' VAL . . . -137.85 25.19 2.81 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.243 -0.911 . . . . 10.0 113.087 174.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.8 mt -84.66 -23.53 29.42 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.044 0.938 . . . . 10.0 111.072 172.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -60.86 169.93 1.72 Allowed Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 128.432 2.693 . . . . 10.0 112.268 169.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -71.72 12.85 0.51 Allowed 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 123.404 2.736 . . . . 10.0 115.239 172.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.428 ' HE2' ' HB3' ' A' ' 37' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.394 0 C-N-CA 129.489 3.116 . . . . 10.0 111.179 -174.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' B' ' 51' ' ' SER . 21.5 Cg_endo . . . . . 0 N--CA 1.482 0.83 0 N-CA-C 108.114 -1.533 . . . . 10.0 108.114 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -130.8 -31.68 1.72 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.89 0.876 . . . . 10.0 112.152 -167.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.416 HH21 ' CD ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -105.04 -53.33 2.68 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 105.997 -1.853 . . . . 10.0 105.997 168.178 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' B' ' 48' ' ' PRO . 59.6 m -81.18 91.36 6.15 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 104.581 -2.378 . . . . 10.0 104.581 167.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.88 8.16 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 O-C-N 121.259 -0.9 . . . . 10.0 112.143 -173.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 11.7 p -131.28 5.8 0.04 OUTLIER Pre-proline 0 CA--C 1.554 1.118 0 N-CA-C 117.805 2.52 . . . . 10.0 117.805 -175.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -65.19 -18.02 60.1 Favored 'Trans proline' 0 C--N 1.355 0.904 0 CA-C-N 125.405 2.966 . . . . 10.0 113.07 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 15.7 p -77.46 -49.32 15.05 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 126.071 1.748 . . . . 10.0 111.169 169.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.05 -30.29 67.93 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.997 1.319 . . . . 10.0 112.369 171.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 29.6 tp -57.31 -22.77 44.25 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.83 1.252 . . . . 10.0 111.883 169.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -91.42 -60.02 1.99 Allowed 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.012 0.823 . . . . 10.0 109.314 169.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.02 -39.22 19.9 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 117.794 2.516 . . . . 10.0 117.794 -168.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 tp -76.72 -33.43 58.18 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.583 -0.698 . . . . 10.0 110.258 175.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 tp -57.89 -59.91 4.52 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 117.369 -1.3 . . . . 10.0 110.807 171.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 50.2 ptt85 -55.81 -35.34 66.22 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 120.899 1.681 . . . . 10.0 112.506 176.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 8.8 m -66.19 -25.16 66.8 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.951 2.1 . . . . 10.0 113.89 -176.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.5 ' HG ' HD12 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -113.43 -21.26 10.96 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.042 1.337 . . . . 10.0 112.191 175.039 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.21 -29.79 70.63 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.878 -1.058 . . . . 10.0 110.724 168.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 6.9 p -84.27 110.96 30.17 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 102.585 -3.117 . . . . 10.0 102.585 166.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -65.79 170.74 10.88 Favored 'Trans proline' 0 C--N 1.35 0.611 0 N-CA-C 115.668 1.372 . . . . 10.0 115.668 -169.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 3.0 m -50.71 -18.68 0.76 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 128.293 2.637 . . . . 10.0 115.371 -170.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 56.4 p -49.03 114.46 3.82 Favored Pre-proline 0 CA--C 1.529 0.143 0 C-N-CA 127.034 2.134 . . . . 10.0 108.431 168.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . 0.343 1.7 Cg_exo 42.13 -10.26 0.0 OUTLIER 'Trans proline' 0 CA--C 1.544 1.023 1 C-N-CA 125.754 4.303 . . . . 10.0 121.037 -167.896 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -72.53 -10.38 59.73 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.063 1.745 . . . . 10.0 112.277 169.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -43.92 -12.64 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 130.67 3.588 . . . . 10.0 118.902 175.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.89 -174.49 2.59 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.539 1.311 . . . . 10.0 114.539 -169.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -48.31 -14.8 0.06 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 128.513 2.725 . . . . 10.0 116.948 -169.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -24.63 65.57 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 123.313 2.779 . . . . 10.0 113.324 169.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -70.61 -54.6 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 120.468 1.485 . . . . 10.0 107.729 169.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -35.96 74.65 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.283 1.433 . . . . 10.0 112.232 -172.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -65.14 -33.29 75.67 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 125.431 1.492 . . . . 10.0 112.81 176.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 29.7 mt -86.38 -45.6 16.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 119.735 1.152 . . . . 10.0 109.232 175.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.5 mt -39.37 -53.88 1.94 Allowed 'General case' 0 C--N 1.355 0.805 0 C-N-CA 127.933 2.493 . . . . 10.0 112.37 175.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -59.19 -19.89 49.18 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.747 1.388 . . . . 10.0 114.747 -176.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 63.3 p -78.04 -9.23 59.03 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 113.923 1.083 . . . . 10.0 113.923 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -129.87 75.22 79.86 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 119.048 0.84 . . . . 10.0 110.514 -171.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -41.41 -56.59 1.74 Allowed 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 125.179 3.92 . . . . 10.0 115.731 -169.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -61.6 -42.48 98.93 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.43 0.9 . . . . 10.0 113.43 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.0 -41.47 98.1 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.37 1.068 . . . . 10.0 110.88 173.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -53.74 54.88 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.353 0.661 . . . . 10.0 111.108 175.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.7 95.08 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.043 0.386 . . . . 10.0 112.043 175.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.26 98.56 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 118.499 -0.762 . . . . 10.0 112.867 175.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.471 ' CD1' ' HG ' ' A' ' 17' ' ' LEU . 68.3 t80 -56.95 -58.83 6.44 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 117.182 -1.389 . . . . 10.0 108.736 169.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 77.9 mt -48.85 -58.55 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 119.702 1.137 . . . . 10.0 110.282 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.494 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.0 OUTLIER -54.77 -57.25 12.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.649 1.179 . . . . 10.0 112.146 -179.131 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -36.58 81.65 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 118.183 -0.913 . . . . 10.0 111.503 -176.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -55.28 -50.0 70.67 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 120.656 1.571 . . . . 10.0 110.592 169.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -57.98 -44.19 86.96 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.149 0.886 . . . . 10.0 111.67 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.89 -44.71 95.35 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.188 0.995 . . . . 10.0 112.538 176.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -44.66 73.56 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.396 1.478 . . . . 10.0 110.515 172.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -59.11 -59.24 5.79 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-O 118.275 -0.869 . . . . 10.0 111.826 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' A' ' 43' ' ' ALA . 21.2 m -63.67 -21.49 28.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-N 119.466 1.03 . . . . 10.0 113.472 -178.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.37 -30.47 23.61 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.955 1.465 . . . . 10.0 114.955 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -128.96 -21.39 3.34 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.756 1.391 . . . . 10.0 114.756 -170.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -143.48 57.68 5.67 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 125.404 1.482 . . . . 10.0 111.475 174.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -72.53 -47.32 0.39 Allowed 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.683 2.255 . . . . 10.0 112.697 -173.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 74.33 -56.56 2.4 Favored Glycine 0 CA--C 1.533 1.169 0 CA-C-O 119.042 -0.866 . . . . 10.0 112.543 -169.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -142.92 -15.7 0.7 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 117.003 2.223 . . . . 10.0 117.003 -177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.054 0 C-N-CA 124.855 1.262 . . . . 10.0 113.268 -171.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 112.803 0.668 . . . . 10.0 112.803 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -152.44 -4.96 0.14 Allowed Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.165 1.364 . . . . 10.0 113.559 169.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 66.46 -34.99 0.22 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 130.385 3.474 . . . . 10.0 111.954 -169.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.3 m -64.82 -18.18 64.9 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.005 1.722 . . . . 10.0 111.058 167.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -85.2 -55.63 3.94 Favored 'General case' 0 C--O 1.217 -0.622 0 C-N-CA 125.182 1.393 . . . . 10.0 108.11 168.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -56.59 -50.92 70.55 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.611 0.764 . . . . 10.0 112.418 -172.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.71 -42.73 67.0 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 119.449 -0.9 . . . . 10.0 111.5 -172.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.56 95.06 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 118.694 -0.67 . . . . 10.0 112.167 175.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.568 HD22 ' C ' ' A' ' 9' ' ' LEU 0.381 0.0 OUTLIER -72.62 -39.58 67.15 Favored 'General case' 0 C--N 1.348 0.523 0 CA-C-O 118.113 -0.946 . . . . 10.0 110.755 179.903 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.0 tp -54.81 -48.76 72.36 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.889 1.676 . . . . 10.0 110.575 171.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.4 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 42.3 m-20 -58.21 -55.1 39.37 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 113.439 0.903 . . . . 10.0 113.439 175.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.409 ' HG3' ' HA ' ' A' ' 9' ' ' LEU . 3.5 pp0? -64.53 -29.37 70.4 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-N 119.468 1.031 . . . . 10.0 113.286 177.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.8 tp -75.96 -41.31 51.81 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 117.931 -1.033 . . . . 10.0 111.403 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.4 ' CD2' ' HA ' ' A' ' 11' ' ' ASP . 5.7 p80 -69.92 -32.57 70.92 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 120.418 1.463 . . . . 10.0 111.542 174.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.8 m -66.54 -31.12 71.63 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 118.482 -0.77 . . . . 10.0 112.403 172.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.416 HD22 HD12 ' B' ' 61' ' ' LEU . 1.3 tp -70.35 -59.77 2.67 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 120.472 1.487 . . . . 10.0 109.923 168.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.416 ' HA ' HD22 ' B' ' 64' ' ' LEU . 8.1 tp -65.47 -8.22 18.17 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.564 1.546 . . . . 10.0 113.256 -169.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.9 t -143.25 30.33 1.41 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.418 1.487 . . . . 10.0 112.89 169.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -40.88 -51.38 3.18 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.449 1.5 . . . . 10.0 112.316 176.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.1 p -154.47 -82.07 0.08 Allowed 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 128.955 2.902 . . . . 10.0 106.799 169.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -151.88 179.85 8.09 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.097 1.359 . . . . 10.0 110.82 177.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.75 163.45 29.58 Favored 'General case' 0 N--CA 1.435 -1.22 0 C-N-CA 127.09 2.156 . . . . 10.0 109.323 168.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 p -59.25 -34.38 72.15 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 130.248 3.419 . . . . 10.0 112.56 174.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.97 -49.32 5.09 Favored Glycine 0 C--N 1.336 0.581 0 N-CA-C 111.425 -0.67 . . . . 10.0 111.425 170.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.9 mt -35.38 -52.9 0.64 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 125.829 1.651 . . . . 10.0 114.6 170.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -57.08 -40.8 77.63 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 121.371 1.896 . . . . 10.0 113.756 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -67.86 -49.22 63.33 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 119.179 0.899 . . . . 10.0 111.303 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.1 mm -57.73 -35.17 49.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 122.785 0.434 . . . . 10.0 111.21 177.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -66.23 -53.6 35.09 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.759 1.224 . . . . 10.0 110.541 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.5 ptt85 -64.84 -32.86 74.76 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.054 -1.029 . . . . 10.0 113.273 176.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.18 -20.13 63.83 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.546 1.138 . . . . 10.0 113.249 170.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.0 mt -110.68 14.91 22.25 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.107 1.763 . . . . 10.0 111.792 172.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.86 12.22 47.22 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 125.306 1.432 . . . . 10.0 115.177 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.0 mt -55.56 -45.74 99.83 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 118.776 1.288 . . . . 10.0 113.368 -169.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -56.72 -19.72 31.96 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.174 2.583 . . . . 10.0 115.201 171.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.9 -41.14 13.4 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 119.23 0.923 . . . . 10.0 110.979 169.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.5 mt -54.41 -28.72 45.69 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 170.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.7 t -57.38 -57.2 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 126.348 1.859 . . . . 10.0 109.823 169.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -61.02 -41.42 96.5 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.832 0.853 . . . . 10.0 111.295 178.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -65.17 -19.8 66.15 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.365 1.066 . . . . 10.0 113.413 174.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.44 17.05 54.09 Favored Glycine 0 CA--C 1.527 0.823 0 CA-C-O 118.209 -1.328 . . . . 10.0 115.374 175.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.67 -4.71 1.01 Allowed 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 119.26 1.53 . . . . 10.0 113.949 -171.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.83 -16.84 60.02 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 119.115 -2.24 . . . . 10.0 113.82 169.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.2 mt -88.63 -30.64 19.05 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 117.465 2.394 . . . . 10.0 117.465 -168.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -79.89 170.38 16.1 Favored Pre-proline 0 N--CA 1.475 0.819 0 CA-C-N 120.342 1.428 . . . . 10.0 112.623 -169.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -66.28 -5.08 11.73 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 123.822 3.015 . . . . 10.0 116.105 169.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.45 0 C-N-CA 126.538 1.935 . . . . 10.0 110.857 176.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' B' ' 51' ' ' SER . 16.5 Cg_exo . . . . . 0 N--CA 1.487 1.14 0 CA-C-O 121.566 0.569 . . . . 10.0 111.191 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -136.08 -58.77 0.75 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 126.593 1.957 . . . . 10.0 109.66 -167.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.61 -42.26 18.46 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 106.885 -1.524 . . . . 10.0 106.885 167.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' B' ' 48' ' ' PRO . 22.4 m -82.05 100.06 9.52 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 103.803 -2.666 . . . . 10.0 103.803 168.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.839 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.0 OUTLIER -89.79 -1.45 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.27 1.428 . . . . 10.0 113.715 -169.41 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 8.9 p -124.82 4.94 0.05 OUTLIER Pre-proline 0 CA--C 1.551 0.999 0 N-CA-C 118.441 2.756 . . . . 10.0 118.441 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -66.22 -14.51 44.61 Favored 'Trans proline' 0 CA--C 1.548 1.207 0 CA-C-N 125.596 3.034 . . . . 10.0 114.309 178.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 13.3 p -80.6 -53.07 6.88 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.957 1.703 . . . . 10.0 109.686 169.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.3 -26.6 66.64 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 124.316 1.046 . . . . 10.0 112.405 173.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 25.2 tp -55.17 -29.59 58.15 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 126.317 1.847 . . . . 10.0 110.928 169.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -89.64 -58.97 2.34 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.157 0.983 . . . . 10.0 109.462 170.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -82.23 -40.06 22.18 Favored 'General case' 0 C--N 1.344 0.357 0 N-CA-C 117.811 2.523 . . . . 10.0 117.811 -168.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 tp -74.95 -29.55 60.96 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 120.475 1.489 . . . . 10.0 110.262 175.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.416 HD12 HD22 ' A' ' 16' ' ' LEU . 15.0 tp -63.66 -59.47 4.55 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 118.164 -0.922 . . . . 10.0 110.028 169.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.81 -32.8 67.93 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 120.261 1.391 . . . . 10.0 112.129 175.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . 0.508 HG23 ' NE2' ' B' ' 75' ' ' GLN . 5.8 m -60.75 -23.3 64.84 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.089 1.756 . . . . 10.0 115.652 178.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -115.17 -23.89 8.77 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 114.175 1.176 . . . . 10.0 114.175 170.145 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -64.52 -37.74 88.59 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.838 0.744 . . . . 10.0 111.031 168.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 58.1 p -77.87 108.42 7.33 Favored Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 103.498 -2.778 . . . . 10.0 103.498 168.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.45 143.76 53.74 Favored 'Trans proline' 0 CA--C 1.511 -0.634 0 C-N-CA 122.351 2.034 . . . . 10.0 116.399 -168.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 4.9 m -67.36 39.77 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 129.066 2.946 . . . . 10.0 114.792 -173.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -87.06 -76.69 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.708 0 C-N-CA 126.418 1.887 . . . . 10.0 108.766 169.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.46 -30.83 6.14 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 CA-C-N 122.952 2.09 . . . . 10.0 109.66 168.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -65.87 1.43 1.38 Allowed 'General case' 0 C--N 1.349 0.581 0 C-N-CA 125.657 1.583 . . . . 10.0 114.612 170.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -56.84 -36.27 69.8 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.188 1.181 . . . . 10.0 114.188 -177.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -78.37 -177.89 5.46 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 123.251 1.5 . . . . 10.0 114.157 -168.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -54.78 -0.86 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 128.954 2.901 . . . . 10.0 114.955 -174.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . 0.508 ' NE2' HG23 ' B' ' 63' ' ' THR . 2.3 pp0? -58.03 -27.86 63.94 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 120.5 1.5 . . . . 10.0 112.17 169.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.426 ' HA ' HG21 ' B' ' 63' ' ' THR . 2.5 t -67.97 -54.68 20.71 Favored 'Isoleucine or valine' 0 C--N 1.347 0.457 0 N-CA-C 107.973 -1.121 . . . . 10.0 107.973 170.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.407 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 0.4 OUTLIER -59.35 -37.05 76.86 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.58 1.152 . . . . 10.0 112.854 -175.06 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -63.71 -32.59 74.12 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.481 1.913 . . . . 10.0 113.768 175.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 13.5 mt -90.03 -41.92 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 119.537 1.062 . . . . 10.0 109.342 174.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 8.2 mt -39.81 -58.38 1.37 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.378 2.271 . . . . 10.0 112.034 173.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -11.13 46.11 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.87 1.433 . . . . 10.0 114.87 -173.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 52.4 p -78.85 -9.95 59.64 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 124.601 1.16 . . . . 10.0 113.617 173.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -125.39 85.34 58.64 Favored Pre-proline 0 CA--C 1.535 0.397 0 C-N-CA 123.812 0.845 . . . . 10.0 108.751 -172.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -50.07 -52.12 9.56 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 123.581 2.854 . . . . 10.0 114.631 -169.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.414 ' CG ' HD13 ' B' ' 52' ' ' ILE . 0.0 OUTLIER -64.41 -45.95 85.37 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.035 0.934 . . . . 10.0 112.421 178.684 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.56 -34.46 75.86 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.822 0.849 . . . . 10.0 111.607 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 4.6 ttt -63.51 -46.65 85.12 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.51 1.05 . . . . 10.0 110.601 172.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.83 -43.87 94.93 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.401 -0.812 . . . . 10.0 112.098 174.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.25 -36.37 83.44 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.307 0.643 . . . . 10.0 112.363 176.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.412 ' CE1' ' HD3' ' B' ' 94' ' ' ARG . 68.1 t80 -59.32 -60.56 3.67 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 124.737 1.215 . . . . 10.0 108.444 169.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 91.8 mt -51.6 -47.12 37.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 118.837 0.744 . . . . 10.0 110.566 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -61.4 -60.25 4.01 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.097 0.959 . . . . 10.0 113.094 177.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -66.02 -39.98 90.67 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 117.57 -1.205 . . . . 10.0 110.143 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . 0.412 ' HD3' ' CE1' ' B' ' 90' ' ' PHE . 12.0 mmm180 -51.04 -49.31 60.79 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 120.647 1.567 . . . . 10.0 111.105 172.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.8 m -63.13 -44.68 94.9 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 118.575 -0.726 . . . . 10.0 111.773 175.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.72 87.72 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.299 1.439 . . . . 10.0 113.099 176.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 14.9 tptp -50.49 -57.45 8.05 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.625 1.97 . . . . 10.0 107.486 169.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -57.74 -57.5 12.46 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 117.344 -1.312 . . . . 10.0 113.348 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 31.3 m -58.59 -20.94 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 CA-C-N 121.013 1.733 . . . . 10.0 113.787 -170.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.3 -6.9 54.59 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.82 1.415 . . . . 10.0 114.82 176.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.83 -30.58 2.74 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 120.002 1.274 . . . . 10.0 113.203 177.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -134.89 82.59 43.06 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 129.475 3.11 . . . . 10.0 107.69 168.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -54.06 -16.08 8.69 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 124.117 3.212 . . . . 10.0 116.555 177.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 128.06 -59.92 0.67 Allowed Glycine 0 C--N 1.342 0.902 0 C-N-CA 125.565 1.555 . . . . 10.0 111.487 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -8.15 54.58 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.39 1.076 . . . . 10.0 112.675 169.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.258 1.506 0 C-N-CA 130.33 3.452 . . . . 10.0 107.044 170.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.477 ' HA ' ' HB2' ' B' ' 51' ' ' SER . 3.4 tp10 . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 112.948 0.721 . . . . 10.0 112.948 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -110.59 11.53 30.4 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 125.279 1.419 . . . . 10.0 112.589 168.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 62.78 -31.1 0.09 Allowed 'General case' 0 C--N 1.352 0.709 0 C-N-CA 130.042 3.337 . . . . 10.0 115.128 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.9 m -67.25 -22.2 65.69 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.067 1.347 . . . . 10.0 112.038 169.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -95.74 -18.79 20.17 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.742 1.617 . . . . 10.0 112.49 174.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -54.86 42.39 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 119.205 0.911 . . . . 10.0 112.485 -177.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -64.26 -39.54 94.14 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 120.26 -0.576 . . . . 10.0 111.92 -177.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.14 85.88 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.666 1.187 . . . . 10.0 112.424 174.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.496 HD22 ' C ' ' A' ' 9' ' ' LEU 0.37 0.0 OUTLIER -73.04 -33.28 65.6 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.631 1.105 . . . . 10.0 111.088 -178.187 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.8 tp -61.87 -47.2 86.08 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.072 1.349 . . . . 10.0 111.052 168.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -57.53 -53.37 58.93 Favored 'General case' 0 C--N 1.345 0.379 0 N-CA-C 112.791 0.663 . . . . 10.0 112.791 176.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -62.32 -32.9 73.73 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 118.717 -0.658 . . . . 10.0 112.584 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tp -75.13 -43.16 54.2 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.775 0.716 . . . . 10.0 111.727 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -71.97 -28.59 63.53 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 119.965 1.257 . . . . 10.0 111.735 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.2 m -63.62 -51.4 65.38 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.885 0.874 . . . . 10.0 109.982 169.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.551 HD22 HD12 ' B' ' 61' ' ' LEU . 4.6 tp -51.91 -48.62 64.1 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.339 -0.839 . . . . 10.0 111.914 174.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.531 HD13 ' HG ' ' B' ' 64' ' ' LEU . 4.5 mm? -64.31 -24.47 67.66 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.362 1.245 . . . . 10.0 114.362 176.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -117.17 12.9 14.58 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.502 1.297 . . . . 10.0 114.502 -167.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -53.17 -6.81 0.07 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 131.364 3.866 . . . . 10.0 117.17 -170.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.254 46.4 p 116.28 -17.74 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.633 1 C-N-CA 134.114 4.965 . . . . 10.0 112.766 -178.912 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -63.38 154.74 31.0 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 120.987 1.721 . . . . 10.0 112.99 173.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.49 -2.56 0.86 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 127.679 2.392 . . . . 10.0 112.956 169.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.6 m -51.14 -47.43 62.06 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.938 1.695 . . . . 10.0 115.22 -168.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.24 -24.74 3.74 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 123.788 0.709 . . . . 10.0 112.652 170.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.0 mt -52.36 -36.9 54.86 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 124.609 1.163 . . . . 10.0 112.248 171.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -48.43 -41.96 30.87 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 124.298 1.039 . . . . 10.0 113.028 177.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -68.19 -46.68 70.01 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.458 1.026 . . . . 10.0 111.212 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.406 HD13 ' CG2' ' B' ' 76' ' ' VAL . 25.6 mt -60.68 -35.8 66.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 125.447 1.499 . . . . 10.0 111.299 175.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -67.08 -53.35 31.7 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.168 1.787 . . . . 10.0 110.271 177.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -68.55 -27.25 65.92 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 118.255 -0.878 . . . . 10.0 113.111 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.41 -19.94 63.96 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 119.736 1.153 . . . . 10.0 112.727 169.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.2 mt -110.48 15.85 21.91 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.873 2.069 . . . . 10.0 112.433 170.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.77 9.92 53.6 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 126.651 2.072 . . . . 10.0 114.908 173.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.6 mt -53.52 -44.38 97.55 Favored Pre-proline 0 CA--C 1.548 0.886 0 CA-C-O 117.343 -1.313 . . . . 10.0 113.971 -169.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -56.93 -19.64 32.94 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.241 2.627 . . . . 10.0 115.869 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.17 -39.65 13.42 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 119.076 0.853 . . . . 10.0 111.0 170.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.4 mt -54.86 -30.67 58.37 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.847 0.859 . . . . 10.0 111.686 171.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.8 t -54.55 -60.14 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 126.348 1.859 . . . . 10.0 110.229 169.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -59.79 -41.15 90.52 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.24 1.016 . . . . 10.0 112.43 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -58.09 -19.88 35.5 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 127.485 2.314 . . . . 10.0 113.352 170.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.25 14.73 61.7 Favored Glycine 0 CA--C 1.526 0.761 0 O-C-N 120.855 -1.153 . . . . 10.0 113.162 174.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -66.76 -8.93 31.75 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.651 1.18 . . . . 10.0 113.237 -171.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.81 -24.9 65.35 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.295 1.038 . . . . 10.0 112.238 168.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.8 mt -98.53 -30.71 12.36 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.695 1.198 . . . . 10.0 113.633 -171.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -70.52 149.62 95.55 Favored Pre-proline 0 CA--C 1.543 0.677 0 CA-C-N 118.947 0.794 . . . . 10.0 110.61 170.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -70.96 -34.97 9.8 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 122.337 2.025 . . . . 10.0 111.754 170.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.145 0 C-N-CA 128.015 2.526 . . . . 10.0 112.399 177.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 CA--C 1.534 0.477 0 N-CA-C 110.746 -0.521 . . . . 10.0 110.746 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -121.18 -76.12 0.59 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 117.879 -1.058 . . . . 10.0 111.373 -178.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -41.0 96.06 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.952 1.251 . . . . 10.0 108.723 169.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.477 ' HB2' ' HA ' ' A' ' 1' ' ' GLU . 2.2 t -78.47 106.91 10.74 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 105.595 -2.002 . . . . 10.0 105.595 167.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.512 ' H ' HD12 ' B' ' 52' ' ' ILE . 0.8 OUTLIER -89.84 -13.85 9.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-O 120.818 0.342 . . . . 10.0 110.548 -174.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 16.0 p -119.04 13.54 0.07 OUTLIER Pre-proline 0 CA--C 1.549 0.923 0 N-CA-C 117.335 2.346 . . . . 10.0 117.335 -175.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -72.14 -17.12 28.26 Favored 'Trans proline' 0 CA--C 1.548 1.181 0 CA-C-N 124.506 2.645 . . . . 10.0 112.508 -176.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 49.9 p -81.04 -49.14 11.28 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.693 1.197 . . . . 10.0 111.298 169.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.45 -29.07 65.88 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.505 1.522 . . . . 10.0 112.128 171.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 33.4 tp -55.43 -27.68 49.48 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.848 2.059 . . . . 10.0 111.956 169.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.75 -60.41 1.92 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.959 0.904 . . . . 10.0 109.221 168.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.47 -47.32 34.01 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 116.894 2.183 . . . . 10.0 116.894 -168.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.1 tp -73.77 -36.86 65.13 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.849 0.749 . . . . 10.0 109.658 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.551 HD12 HD22 ' A' ' 16' ' ' LEU . 21.5 tp -57.2 -55.01 40.25 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 124.43 1.092 . . . . 10.0 111.17 171.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 12.6 ttp85 -55.89 -47.61 77.11 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.987 1.715 . . . . 10.0 111.944 172.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . 0.401 HG23 HE21 ' B' ' 75' ' ' GLN . 16.1 m -53.5 -55.77 22.64 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.215 1.406 . . . . 10.0 112.533 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.531 ' HG ' HD13 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -75.1 -24.14 58.06 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.223 0.823 . . . . 10.0 113.223 177.771 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -60.58 -42.16 96.14 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.153 0.888 . . . . 10.0 111.082 169.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 9.0 p -68.72 108.31 2.82 Favored Pre-proline 0 CA--C 1.551 1.01 0 N-CA-C 107.738 -1.208 . . . . 10.0 107.738 168.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.39 155.6 45.88 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.127 1.884 . . . . 10.0 116.796 -169.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 4.8 m -55.72 16.95 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 130.856 3.662 . . . . 10.0 118.109 -169.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.1 t -78.08 -86.07 0.02 OUTLIER Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 120.66 1.573 . . . . 10.0 110.756 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -69.84 -14.52 35.93 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 CA-C-N 123.694 2.355 . . . . 10.0 112.206 169.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -78.89 3.49 16.79 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.415 1.886 . . . . 10.0 114.373 173.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -18.4 54.69 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.973 1.709 . . . . 10.0 113.012 169.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -85.77 -170.65 3.2 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.253 1.421 . . . . 10.0 113.513 -170.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -61.35 -7.65 3.18 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 116.285 1.957 . . . . 10.0 116.285 -177.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . 0.401 HE21 HG23 ' B' ' 63' ' ' THR . 1.3 pm0 -67.73 -30.02 69.4 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 121.825 2.102 . . . . 10.0 113.234 -171.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.406 ' CG2' HD13 ' A' ' 28' ' ' ILE . 2.9 t -66.9 -52.91 39.35 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 108.585 -0.894 . . . . 10.0 108.585 169.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.405 ' HA ' ' HB2' ' B' ' 80' ' ' LEU . 0.5 OUTLIER -61.27 -35.98 78.78 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 121.964 0.888 . . . . 10.0 111.283 -172.003 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -59.88 -38.57 82.6 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.723 1.609 . . . . 10.0 113.615 172.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 17.7 mt -83.76 -39.5 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 119.552 1.069 . . . . 10.0 109.645 177.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' B' ' 77' ' ' LEU . 10.6 mt -41.52 -60.22 1.38 Allowed 'General case' 0 C--O 1.24 0.557 0 C-N-CA 127.332 2.253 . . . . 10.0 112.322 172.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . 0.28 0.1 OUTLIER -66.27 -7.99 22.02 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.259 1.578 . . . . 10.0 115.259 -178.127 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 32.5 p -84.29 -8.62 58.97 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.903 1.445 . . . . 10.0 114.903 171.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.45 72.73 57.48 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 123.294 0.638 . . . . 10.0 111.1 175.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -49.05 -31.06 19.8 Favored 'Trans proline' 0 N--CA 1.456 -0.701 1 C-N-CA 125.373 4.049 . . . . 10.0 117.217 -175.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.42 -47.19 70.97 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.405 1.457 . . . . 10.0 111.384 174.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.8 -38.21 87.26 Favored 'General case' 0 C--O 1.217 -0.658 0 C-N-CA 124.003 0.921 . . . . 10.0 109.869 170.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 4.9 ttt -60.67 -43.7 97.34 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.389 -0.82 . . . . 10.0 112.809 177.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.61 93.03 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 122.066 -0.396 . . . . 10.0 111.605 172.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.34 -37.02 84.05 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.334 0.864 . . . . 10.0 113.334 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -58.49 -59.51 5.24 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 126.514 1.925 . . . . 10.0 107.478 169.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 65.2 mt -49.81 -52.52 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 CA-C-N 118.503 0.592 . . . . 10.0 110.416 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -60.65 -60.53 3.65 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.757 1.223 . . . . 10.0 112.409 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -30.0 64.65 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 117.016 -1.469 . . . . 10.0 111.165 -173.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -62.62 -44.14 97.04 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 121.699 2.045 . . . . 10.0 110.514 169.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 4.2 m -59.89 -46.02 90.65 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 122.058 -0.401 . . . . 10.0 110.813 175.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.87 87.61 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.889 0.876 . . . . 10.0 112.057 173.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -51.51 26.64 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.991 1.717 . . . . 10.0 110.212 171.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -59.74 -60.08 4.4 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 117.548 -1.215 . . . . 10.0 112.422 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 34.7 m -57.47 -28.71 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 119.834 1.197 . . . . 10.0 112.894 -173.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.32 1.62 56.36 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.8 2.148 . . . . 10.0 116.8 174.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -146.84 -42.12 0.19 Allowed 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 120.396 1.453 . . . . 10.0 114.154 -169.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -142.76 79.72 14.68 Favored Pre-proline 0 CA--C 1.546 0.825 0 C-N-CA 127.557 2.343 . . . . 10.0 107.558 171.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -73.81 171.38 17.97 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 122.868 2.379 . . . . 10.0 111.927 -175.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -111.7 -126.49 4.82 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 109.326 -1.51 . . . . 10.0 109.326 172.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 3.0 ptm -78.17 -0.22 27.53 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 118.339 1.07 . . . . 10.0 111.135 168.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.098 0 C-N-CA 128.447 2.699 . . . . 10.0 107.276 169.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 113.673 0.99 . . . . 10.0 113.673 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.43 19.28 1.47 Allowed Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.2 1.381 . . . . 10.0 115.642 -174.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 64.5 -49.95 0.31 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 129.294 3.038 . . . . 10.0 113.127 -171.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.1 m -61.62 -35.86 79.1 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.565 1.946 . . . . 10.0 113.285 178.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 37.4 p30 -76.82 -24.9 52.75 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.122 1.369 . . . . 10.0 112.868 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -52.82 -33.33 48.74 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 117.92 -1.038 . . . . 10.0 112.869 -177.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.99 -39.97 96.36 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.986 1.266 . . . . 10.0 112.298 176.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.46 -40.86 73.45 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.909 0.483 . . . . 10.0 111.64 174.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.9 mt -64.2 -41.55 97.02 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 122.97 0.508 . . . . 10.0 111.794 175.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.13 -48.69 80.66 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 128.376 2.671 . . . . 10.0 110.295 170.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.43 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 51.3 m-20 -57.97 -54.44 46.96 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 118.678 -0.677 . . . . 10.0 112.743 176.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -63.79 -30.22 71.34 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.266 0.939 . . . . 10.0 113.444 177.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.1 tp -75.7 -41.94 52.3 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 118.502 0.592 . . . . 10.0 112.338 176.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.43 ' CD2' ' HA ' ' A' ' 11' ' ' ASP . 1.8 p80 -72.12 -28.15 63.09 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.561 -1.337 . . . . 10.0 110.982 175.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.5 m -65.82 -42.59 90.41 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.909 0.777 . . . . 10.0 110.762 169.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.3 tp -56.15 -49.56 73.62 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 117.598 -1.192 . . . . 10.0 111.188 172.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.783 HD13 HD22 ' B' ' 64' ' ' LEU . 3.0 mm? -64.72 -23.79 67.36 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-N 120.966 1.712 . . . . 10.0 113.562 173.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.424 ' CB ' HE21 ' B' ' 93' ' ' GLN . 70.6 m -95.0 -10.56 30.56 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 115.361 1.615 . . . . 10.0 115.361 -173.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -41.01 -16.98 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 130.941 3.696 . . . . 10.0 117.99 -169.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.264 57.8 p 120.17 -14.99 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.699 1 C-N-CA 135.691 5.596 . . . . 10.0 111.906 169.661 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -56.45 150.65 14.68 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-O 123.464 1.602 . . . . 10.0 112.544 173.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -142.92 -0.39 1.16 Allowed 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 128.026 2.531 . . . . 10.0 112.085 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.6 m -51.02 -57.56 8.31 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.283 1.401 . . . . 10.0 113.473 -169.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.45 -23.48 6.28 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.99 1.281 . . . . 10.0 110.518 168.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.529 HD11 HD21 ' B' ' 64' ' ' LEU . 4.9 mt -50.23 -33.27 19.01 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-O 117.662 -1.161 . . . . 10.0 113.917 170.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -48.8 -56.11 9.62 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.531 1.132 . . . . 10.0 112.231 169.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -52.56 -46.01 66.66 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.333 1.453 . . . . 10.0 112.15 175.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.5 mt -62.93 -44.47 99.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 124.374 1.069 . . . . 10.0 110.168 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -62.14 -46.29 89.67 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.37 1.068 . . . . 10.0 110.221 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -61.08 -43.67 98.53 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.157 0.889 . . . . 10.0 111.407 174.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.69 -19.7 41.92 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.782 1.03 . . . . 10.0 113.782 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.5 mt -113.32 15.77 19.16 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.614 1.166 . . . . 10.0 113.162 171.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.74 11.56 66.07 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.7 1.619 . . . . 10.0 114.703 174.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.2 mt -57.24 -44.68 99.8 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 124.693 1.197 . . . . 10.0 113.003 -169.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.27 -26.44 82.62 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.058 1.838 . . . . 10.0 115.444 171.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -77.25 -36.83 54.15 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.231 -0.918 . . . . 10.0 110.861 171.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.03 -34.81 72.33 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.269 0.941 . . . . 10.0 111.18 169.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.6 t -68.06 -47.16 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 124.793 1.237 . . . . 10.0 111.611 169.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -55.66 -45.53 77.69 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 119.792 1.178 . . . . 10.0 112.561 174.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -64.12 -19.66 65.42 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.642 1.177 . . . . 10.0 113.132 171.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.18 4.76 90.43 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.71 1.624 . . . . 10.0 114.243 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -1.6 11.37 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.125 1.158 . . . . 10.0 114.125 -170.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.18 -29.63 5.81 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.709 1.204 . . . . 10.0 112.462 169.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.5 mt -75.09 -16.48 60.56 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.394 1.878 . . . . 10.0 114.748 175.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -72.27 151.01 92.15 Favored Pre-proline 0 N--CA 1.473 0.704 0 CA-C-N 120.105 1.321 . . . . 10.0 111.125 169.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -69.73 -7.95 22.35 Favored 'Trans proline' 0 CA--C 1.551 1.351 0 C-N-CA 122.847 2.365 . . . . 10.0 112.781 168.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.94 0 C-N-CA 128.006 2.522 . . . . 10.0 111.596 -169.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . 0.257 1.6 Cg_endo . . . . . 0 N--CA 1.487 1.113 0 N-CA-C 109.243 -1.099 . . . . 10.0 109.243 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -161.7 -79.45 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.918 1.687 . . . . 10.0 110.805 -173.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 45.1 ptt85 -63.78 -49.81 71.47 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 119.582 1.083 . . . . 10.0 109.349 169.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 6.0 p -105.21 116.31 31.73 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 128.969 2.908 . . . . 10.0 104.236 169.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.82 -20.67 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-O 119.206 -0.426 . . . . 10.0 111.145 -170.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 86.5 p -105.13 -9.43 0.12 Allowed Pre-proline 0 C--O 1.212 -0.876 0 N-CA-C 119.47 3.137 . . . . 10.0 119.47 -174.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -60.83 -22.44 73.79 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 CA-C-N 126.313 3.29 . . . . 10.0 115.774 -168.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 17.2 p -80.61 -57.16 3.7 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.02 0.528 . . . . 10.0 110.806 169.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.18 -27.48 63.88 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 125.233 1.413 . . . . 10.0 112.819 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 44.4 tp -58.63 -33.34 69.93 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 128.686 2.794 . . . . 10.0 111.639 171.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -90.27 -59.73 2.11 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.021 0.928 . . . . 10.0 109.918 169.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.33 -41.53 24.64 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 117.922 2.564 . . . . 10.0 117.922 -168.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 tp -72.17 -36.07 69.19 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 120.406 1.457 . . . . 10.0 108.325 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.68 -58.8 6.11 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.005 1.322 . . . . 10.0 110.289 169.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 20.5 ttp85 -47.69 -49.62 27.29 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 126.345 1.858 . . . . 10.0 112.609 170.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . 0.5 HG21 ' HA ' ' B' ' 76' ' ' VAL . 1.0 OUTLIER -60.96 -19.85 61.5 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 127.693 2.397 . . . . 10.0 115.319 -177.389 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.783 HD22 HD13 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -117.88 -17.2 9.83 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.278 1.214 . . . . 10.0 114.278 170.271 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -59.07 -37.32 76.8 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 107.649 -1.241 . . . . 10.0 107.649 167.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 7.8 p -79.3 110.45 15.08 Favored Pre-proline 0 CA--C 1.551 1.017 0 N-CA-C 102.098 -3.297 . . . . 10.0 102.098 165.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -67.76 156.42 66.06 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.237 1.958 . . . . 10.0 115.968 -167.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 24.8 p -58.67 -16.15 14.99 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 115.802 1.779 . . . . 10.0 115.802 -168.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.7 t -47.74 -68.17 0.34 Allowed Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 125.545 1.538 . . . . 10.0 113.13 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -81.03 -20.66 7.29 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.132 1.888 . . . . 10.0 111.84 168.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -82.63 69.79 9.48 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.357 1.463 . . . . 10.0 112.323 -173.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -55.95 169.47 0.37 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.511 2.324 . . . . 10.0 114.522 169.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -39.76 70.23 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 115.693 1.738 . . . . 10.0 115.693 -170.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 11.0 pm0 -50.05 -53.02 29.79 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 120.219 1.372 . . . . 10.0 114.068 -169.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . 0.424 ' NE2' HG23 ' B' ' 63' ' ' THR . 1.9 pp0? -72.3 -33.17 67.21 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 117.819 -1.086 . . . . 10.0 113.782 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.5 ' HA ' HG21 ' B' ' 63' ' ' THR . 2.6 t -70.24 -54.4 18.85 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 CA-C-N 119.829 1.195 . . . . 10.0 107.966 176.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.97 -36.21 76.63 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.992 1.317 . . . . 10.0 110.034 -173.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -61.42 -34.98 76.29 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 114.431 1.271 . . . . 10.0 114.431 174.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 18.5 mt -90.32 -39.11 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 119.577 1.081 . . . . 10.0 110.584 178.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.3 mt -40.57 -50.79 2.99 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 128.336 2.655 . . . . 10.0 111.966 171.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 35.1 pttt -58.95 -23.66 61.77 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.809 1.04 . . . . 10.0 113.809 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 57.8 p -83.31 -11.86 57.26 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 114.552 1.316 . . . . 10.0 114.552 -173.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -123.38 99.52 39.81 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 105.927 -1.879 . . . . 10.0 105.927 169.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.89 -30.18 17.38 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 123.317 2.678 . . . . 10.0 111.977 -169.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -67.0 -46.44 74.54 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.202 1.001 . . . . 10.0 110.694 172.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.91 -37.87 88.99 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 124.395 1.078 . . . . 10.0 110.082 174.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -52.21 66.44 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.506 1.048 . . . . 10.0 111.338 174.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.03 -43.63 98.6 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.107 0.41 . . . . 10.0 112.107 174.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.39 90.9 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.139 -0.975 . . . . 10.0 112.46 175.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -57.55 -57.55 12.19 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 124.784 1.233 . . . . 10.0 108.276 170.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 95.5 mt -52.8 -58.81 2.16 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 O-C-N 123.393 0.433 . . . . 10.0 110.766 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.54 ' HA ' ' HE3' ' B' ' 92' ' ' LYS . 0.8 OUTLIER -60.84 -53.75 53.56 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 121.478 -0.764 . . . . 10.0 112.769 -176.49 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.424 HE21 ' CB ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -70.7 -38.39 73.66 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 116.018 -1.944 . . . . 10.0 110.746 -175.806 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -56.69 -42.45 79.09 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 122.604 2.457 . . . . 10.0 111.185 170.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 1.9 m -56.93 -44.97 83.02 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.006 0.523 . . . . 10.0 111.859 175.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.63 90.33 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.926 0.89 . . . . 10.0 113.285 172.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -42.96 61.03 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.11 1.764 . . . . 10.0 110.91 173.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -60.69 -60.72 3.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 118.633 -0.699 . . . . 10.0 112.069 173.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 34.4 m -62.88 -19.81 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 CA-C-N 119.7 1.136 . . . . 10.0 113.408 -177.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.26 -27.69 20.41 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 116.046 1.869 . . . . 10.0 116.046 173.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -136.17 -15.95 1.68 Allowed 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 120.328 1.422 . . . . 10.0 114.783 -170.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -144.86 67.43 13.73 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 125.522 1.529 . . . . 10.0 110.105 171.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -83.62 -3.65 10.67 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.972 2.448 . . . . 10.0 114.344 -173.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.18 74.48 0.52 Allowed Glycine 0 C--N 1.341 0.814 0 N-CA-C 108.194 -1.963 . . . . 10.0 108.194 169.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 14.6 ptp -43.71 112.19 0.36 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.796 2.039 . . . . 10.0 112.667 -169.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.035 0 C-N-CA 125.154 1.382 . . . . 10.0 110.648 -169.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 113.16 0.8 . . . . 10.0 113.16 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.92 9.15 62.72 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-N 119.89 1.223 . . . . 10.0 114.45 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -143.19 -66.56 0.37 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.337 1.455 . . . . 10.0 110.519 -178.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.6 m -70.15 -17.45 63.18 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 127.452 2.301 . . . . 10.0 112.154 -174.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.09 -10.97 59.74 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 117.702 -1.142 . . . . 10.0 112.517 172.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -54.92 -60.31 3.54 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.358 1.435 . . . . 10.0 111.989 -177.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.01 -40.91 95.59 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 118.977 0.808 . . . . 10.0 111.991 -169.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.98 -42.48 94.52 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 117.855 -1.069 . . . . 10.0 112.151 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.557 HD22 ' C ' ' A' ' 9' ' ' LEU 0.328 0.0 OUTLIER -74.73 -36.6 62.64 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 120.375 1.443 . . . . 10.0 111.262 -179.268 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.9 tp -56.05 -49.24 74.29 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 127.233 2.213 . . . . 10.0 109.875 170.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 83.8 m-20 -56.23 -55.66 30.53 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 123.579 0.752 . . . . 10.0 112.141 178.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -65.42 -30.87 71.72 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.761 -0.587 . . . . 10.0 112.525 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.3 tp -76.77 -40.96 46.53 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-O 117.533 -1.223 . . . . 10.0 111.775 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.415 ' CE1' ' HA ' ' A' ' 11' ' ' ASP . 1.8 p-80 -71.11 -25.5 62.62 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.593 1.542 . . . . 10.0 111.543 174.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.4 m -66.3 -49.89 65.52 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 117.94 -1.029 . . . . 10.0 110.582 169.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 tp -52.32 -53.83 39.39 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.407 1.003 . . . . 10.0 110.338 169.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.422 HD12 HD22 ' B' ' 64' ' ' LEU . 0.2 OUTLIER -66.33 -4.03 7.16 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 115.544 1.683 . . . . 10.0 115.544 -175.605 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.4 t -143.83 24.2 1.69 Allowed 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.972 1.101 . . . . 10.0 113.972 175.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -52.6 -10.31 0.15 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 128.59 2.756 . . . . 10.0 118.23 -169.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.278 39.3 p 124.92 -17.51 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.926 1 C-N-CA 133.888 4.875 . . . . 10.0 112.055 176.861 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -65.53 160.53 22.13 Favored 'General case' 0 CA--C 1.553 1.061 0 CA-C-O 122.88 1.324 . . . . 10.0 112.057 169.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.02 -8.63 0.61 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.678 2.391 . . . . 10.0 113.985 168.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.7 m -49.3 -41.87 39.53 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 128.546 2.738 . . . . 10.0 115.693 -167.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.13 -3.12 8.27 Favored Glycine 0 N--CA 1.468 0.767 0 C-N-CA 124.249 0.928 . . . . 10.0 113.352 169.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 mp -70.93 -22.59 62.22 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.236 -1.156 . . . . 10.0 109.402 169.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.17 -52.67 2.57 Favored 'General case' 0 C--N 1.346 0.448 0 C-N-CA 127.77 2.428 . . . . 10.0 114.024 175.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.73 -50.91 70.79 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.969 0.804 . . . . 10.0 112.176 176.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 mm -62.33 -40.22 87.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 124.13 0.972 . . . . 10.0 109.658 -176.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -78.07 -31.25 50.09 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 117.716 -1.135 . . . . 10.0 113.464 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.5 ptt-85 -70.44 -37.51 74.38 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.963 1.256 . . . . 10.0 111.017 169.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.47 -20.11 52.77 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.877 1.065 . . . . 10.0 113.877 172.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.8 mt -111.38 9.49 21.5 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.927 1.691 . . . . 10.0 112.655 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.35 12.69 58.96 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.754 1.169 . . . . 10.0 115.239 176.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.6 mt -53.3 -47.52 95.78 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-O 117.337 -1.316 . . . . 10.0 112.759 -171.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -55.28 -19.15 20.63 Favored 'Trans proline' 0 CA--C 1.545 1.047 0 C-N-CA 123.808 3.005 . . . . 10.0 115.928 172.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -90.64 -36.52 14.34 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 120.264 1.393 . . . . 10.0 111.694 169.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.5 mt -58.13 -29.11 65.27 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.009 -1.057 . . . . 10.0 111.37 169.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.68 -54.39 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 126.452 1.901 . . . . 10.0 110.162 169.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -59.29 -40.36 85.9 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.227 1.011 . . . . 10.0 112.087 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -69.22 -20.04 63.96 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.548 1.139 . . . . 10.0 113.517 173.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.56 17.6 72.94 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 124.208 0.908 . . . . 10.0 114.639 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -60.71 -19.44 58.71 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 118.841 1.32 . . . . 10.0 113.45 -171.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.78 -31.97 71.32 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.871 1.668 . . . . 10.0 113.369 169.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.9 mt -76.35 -19.42 58.21 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.592 1.157 . . . . 10.0 112.807 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -83.8 123.51 75.96 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-O 117.85 -1.072 . . . . 10.0 109.566 169.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.19 -1.54 0.93 Allowed 'Trans proline' 0 CA--C 1.548 1.181 0 C-N-CA 124.322 3.348 . . . . 10.0 115.159 169.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' C ' ' HZ1' ' B' ' 92' ' ' LYS . 1.8 ttpp . . . . . 0 C--O 1.252 1.215 0 C-N-CA 129.49 3.116 . . . . 10.0 110.185 -171.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo . . . . . 0 CA--C 1.542 0.91 0 N-CA-C 105.016 -2.725 . . . . 10.0 105.016 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . 0.526 ' ND2' ' H ' ' B' ' 50' ' ' ARG . 3.0 p-10 -156.54 -74.15 0.1 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.172 1.389 . . . . 10.0 109.793 -167.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.526 ' H ' ' ND2' ' B' ' 49' ' ' ASN . 2.2 mpp_? -81.23 -56.21 4.22 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 106.313 -1.736 . . . . 10.0 106.313 168.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 96.8 p -81.11 120.52 24.94 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 105.498 -2.038 . . . . 10.0 105.498 166.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.42 ' H ' HD12 ' B' ' 52' ' ' ILE . 2.2 mp -90.15 -28.67 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.367 -169.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 6.8 p -100.07 11.9 0.05 OUTLIER Pre-proline 0 CA--C 1.551 1.0 0 N-CA-C 118.043 2.609 . . . . 10.0 118.043 -176.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -63.63 -13.64 37.84 Favored 'Trans proline' 0 CA--C 1.547 1.15 0 CA-C-N 126.933 3.512 . . . . 10.0 113.685 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 15.0 p -83.74 -51.89 6.87 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.766 1.627 . . . . 10.0 110.948 168.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.73 -24.85 58.99 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 125.256 1.422 . . . . 10.0 113.079 170.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 42.0 tp -57.57 -25.2 59.64 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.928 2.091 . . . . 10.0 111.826 169.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -93.44 -57.74 2.5 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.891 0.877 . . . . 10.0 109.798 169.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -81.62 -39.27 24.73 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 117.186 2.291 . . . . 10.0 117.186 -169.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.66 -32.88 64.22 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.591 1.087 . . . . 10.0 109.608 173.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 tp -58.11 -59.59 5.05 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.538 -0.744 . . . . 10.0 110.88 171.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -34.56 72.23 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.816 1.189 . . . . 10.0 112.654 175.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . 0.482 HG23 ' NE2' ' B' ' 75' ' ' GLN . 5.5 m -57.81 -29.88 65.27 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 127.598 2.359 . . . . 10.0 115.956 177.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.422 HD22 HD12 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -112.13 -19.59 12.23 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.517 0.932 . . . . 10.0 113.517 173.874 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -63.45 -36.92 85.33 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.423 -0.955 . . . . 10.0 108.423 168.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 8.3 p -70.87 115.86 40.27 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 103.989 -2.597 . . . . 10.0 103.989 167.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -58.85 146.3 93.63 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 N-CA-C 117.763 2.178 . . . . 10.0 117.763 -168.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 99.8 p -53.37 -28.14 27.61 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 127.753 2.421 . . . . 10.0 114.204 -169.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.7 t -40.85 -72.99 0.1 OUTLIER Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 126.432 1.893 . . . . 10.0 114.7 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -79.1 -11.44 14.85 Favored 'Trans proline' 0 CA--C 1.546 1.078 0 C-N-CA 122.856 2.371 . . . . 10.0 113.487 169.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -89.59 -0.95 57.86 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.642 1.349 . . . . 10.0 114.642 -172.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -15.09 56.02 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 128.755 2.822 . . . . 10.0 115.003 175.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -64.37 172.22 2.68 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 125.195 1.398 . . . . 10.0 113.237 174.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -48.94 -19.05 0.34 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 127.909 2.484 . . . . 10.0 116.682 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . 0.482 ' NE2' HG23 ' B' ' 63' ' ' THR . 1.3 pp0? -59.59 -32.39 70.34 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 120.41 1.459 . . . . 10.0 114.278 -176.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.32 -53.49 32.17 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 N-CA-C 107.328 -1.36 . . . . 10.0 107.328 174.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.63 -37.25 83.3 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.475 1.11 . . . . 10.0 110.405 -171.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -61.93 -34.35 75.94 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.69 1.596 . . . . 10.0 113.758 175.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.6 mt -90.61 -38.04 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 119.409 1.004 . . . . 10.0 110.68 176.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.6 mt -42.91 -49.23 5.92 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 128.248 2.619 . . . . 10.0 111.794 173.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -59.94 -14.15 14.42 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.325 1.602 . . . . 10.0 115.325 -175.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 89.8 p -71.77 -56.92 4.87 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.066 1.346 . . . . 10.0 113.75 -175.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -90.09 107.96 22.97 Favored Pre-proline 0 CA--C 1.544 0.719 0 CA-C-N 119.17 0.895 . . . . 10.0 109.579 172.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -66.05 -32.45 43.93 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 122.502 2.135 . . . . 10.0 112.265 -176.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -66.25 -45.96 78.78 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 123.878 0.871 . . . . 10.0 109.997 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.5 -42.63 96.74 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.831 0.852 . . . . 10.0 110.806 172.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -49.71 76.36 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.734 0.697 . . . . 10.0 111.448 177.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.36 -42.1 99.13 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.387 -0.82 . . . . 10.0 112.052 174.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.26 -42.43 99.33 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.489 1.116 . . . . 10.0 112.543 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.418 ' CD1' ' HG ' ' A' ' 17' ' ' LEU . 34.8 t80 -55.27 -54.59 41.56 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 124.257 1.023 . . . . 10.0 110.126 171.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 96.3 mt -53.39 -56.03 10.24 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 123.564 0.746 . . . . 10.0 110.343 176.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.427 ' HZ1' ' C ' ' A' ' 47' ' ' LYS . 16.0 tppt? -57.51 -57.43 12.74 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.833 0.853 . . . . 10.0 112.399 -179.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -39.72 92.3 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 117.649 -1.167 . . . . 10.0 111.246 -175.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 38.5 mmm-85 -58.61 -44.3 89.89 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.744 1.611 . . . . 10.0 111.882 171.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -61.04 -42.47 98.53 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 118.611 -0.709 . . . . 10.0 110.493 175.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.77 -53.51 57.11 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.563 1.145 . . . . 10.0 113.15 174.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -45.63 -49.65 14.09 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 127.361 2.264 . . . . 10.0 110.067 170.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -63.44 -59.22 4.95 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 117.132 -1.414 . . . . 10.0 113.613 174.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 33.5 m -61.48 -23.06 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 121.391 1.905 . . . . 10.0 113.117 -173.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.64 5.96 33.37 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.287 1.217 . . . . 10.0 114.287 171.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -129.4 -39.51 1.49 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.715 1.606 . . . . 10.0 111.926 177.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -140.66 90.12 9.97 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 130.401 3.48 . . . . 10.0 106.744 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . 0.255 18.1 Cg_endo -56.6 -53.8 4.68 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.349 2.699 . . . . 10.0 114.852 -168.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 78.5 -53.75 3.97 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 120.848 1.658 . . . . 10.0 112.434 172.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -8.68 49.87 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.953 1.301 . . . . 10.0 111.682 168.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.253 1.276 0 C-N-CA 131.311 3.844 . . . . 10.0 107.719 171.688 . . . . . . . . 1 1 . 1 stop_ save_